USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=21 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 37 SER OG : rot 180:sc= -0.0414 USER MOD Set 1.2: A 39 HIS :FLIP no HE2:sc= -0.0266 F(o=-1.6,f=0.23) USER MOD Set 1.3: A 501 C2E O2' : rot -104:sc= 0.303 USER MOD Set 2.1: A 74 SER OG : rot 62:sc= -3.49! USER MOD Set 2.2: A 88 GLN :FLIP amide:sc= -3.87! C(o=-11!,f=-7.4!) USER MOD Set 3.1: A 71 MET CE :methyl 162:sc= -0.352 (180deg=-1.49!) USER MOD Set 3.2: A 87 CYS SG : rot 180:sc= -0.0127 USER MOD Set 4.1: A 45 GLN : amide:sc= -4.51! C(o=-5.4!,f=-6!) USER MOD Set 4.2: A 47 GLN : amide:sc= -0.921 X(o=-5.4,f=-5.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.112 (180deg=-0.176) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -5.26! C(o=-6.7!,f=-5.3!) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -3! C(o=-3.6!,f=-3!) USER MOD Single : A 12 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-8.9!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 24 GLN : amide:sc= -3.58! C(o=-3.6!,f=-6.1!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -2.79! X(o=-2.8!,f=-2.4) USER MOD Single : A 54 GLN :FLIP amide:sc=-0.00697 F(o=-0.95,f=-0.007) USER MOD Single : A 62 TYR OH : rot 57:sc= 1.12 USER MOD Single : A 89 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-4.8!) USER MOD Single : A 94 SER OG : rot 166:sc= -6.77! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.069) USER MOD Single : A 105 ASN : amide:sc= -1.48! C(o=-1.5!,f=-3.7!) USER MOD Single : A 121 SER OG : rot 102:sc= -1.17! USER MOD Single : A 123 HIS :FLIP no HD1:sc= -4.18! C(o=-6.1!,f=-4.2!) USER MOD Single : A 501 C2E O2A : rot -22:sc= 0.342 USER MOD Single : A 502 C2E O2' : rot -15:sc= 0.133 USER MOD Single : A 502 C2E O2A : rot -25:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 114.080 24.909 0.420 1.00 0.00 N ATOM 2 CA MET A 1 112.676 24.481 0.160 1.00 0.00 C ATOM 3 C MET A 1 112.180 23.637 1.327 1.00 0.00 C ATOM 4 O MET A 1 112.968 23.178 2.155 1.00 0.00 O ATOM 5 CB MET A 1 112.629 23.662 -1.133 1.00 0.00 C ATOM 6 CG MET A 1 112.725 24.602 -2.338 1.00 0.00 C ATOM 7 SD MET A 1 111.130 25.418 -2.594 1.00 0.00 S ATOM 8 CE MET A 1 111.734 26.790 -3.608 1.00 0.00 C ATOM 0 H1 MET A 1 114.096 25.922 0.656 1.00 0.00 H new ATOM 0 H2 MET A 1 114.468 24.362 1.215 1.00 0.00 H new ATOM 0 H3 MET A 1 114.657 24.742 -0.429 1.00 0.00 H new ATOM 0 HA MET A 1 112.036 25.357 0.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 113.450 22.945 -1.152 1.00 0.00 H new ATOM 0 HB3 MET A 1 111.703 23.088 -1.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 113.504 25.346 -2.171 1.00 0.00 H new ATOM 0 HG3 MET A 1 113.006 24.041 -3.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 110.899 27.433 -3.885 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.464 27.367 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.203 26.397 -4.510 1.00 0.00 H new ATOM 18 N SER A 2 110.868 23.433 1.387 1.00 0.00 N ATOM 19 CA SER A 2 110.278 22.638 2.458 1.00 0.00 C ATOM 20 C SER A 2 110.465 21.150 2.178 1.00 0.00 C ATOM 21 O SER A 2 109.597 20.336 2.494 1.00 0.00 O ATOM 22 CB SER A 2 108.788 22.955 2.581 1.00 0.00 C ATOM 23 OG SER A 2 108.620 24.350 2.796 1.00 0.00 O ATOM 0 H SER A 2 110.198 23.804 0.713 1.00 0.00 H new ATOM 0 HA SER A 2 110.778 22.887 3.394 1.00 0.00 H new ATOM 0 HB2 SER A 2 108.264 22.649 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 2 108.352 22.393 3.407 1.00 0.00 H new ATOM 0 HG SER A 2 107.665 24.556 2.874 1.00 0.00 H new ATOM 29 N ASP A 3 111.604 20.802 1.585 1.00 0.00 N ATOM 30 CA ASP A 3 111.899 19.410 1.268 1.00 0.00 C ATOM 31 C ASP A 3 112.411 18.680 2.503 1.00 0.00 C ATOM 32 O ASP A 3 113.065 17.642 2.399 1.00 0.00 O ATOM 33 CB ASP A 3 112.955 19.343 0.162 1.00 0.00 C ATOM 34 CG ASP A 3 112.581 20.289 -0.974 1.00 0.00 C ATOM 35 OD1 ASP A 3 111.440 20.722 -1.008 1.00 0.00 O ATOM 36 OD2 ASP A 3 113.440 20.566 -1.794 1.00 0.00 O ATOM 0 H ASP A 3 112.334 21.462 1.316 1.00 0.00 H new ATOM 0 HA ASP A 3 110.982 18.929 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 3 113.932 19.612 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 3 113.035 18.323 -0.214 1.00 0.00 H new ATOM 41 N GLN A 4 112.108 19.234 3.672 1.00 0.00 N ATOM 42 CA GLN A 4 112.536 18.637 4.931 1.00 0.00 C ATOM 43 C GLN A 4 111.335 18.090 5.685 1.00 0.00 C ATOM 44 O GLN A 4 111.487 17.344 6.649 1.00 0.00 O ATOM 45 CB GLN A 4 113.250 19.687 5.781 1.00 0.00 C ATOM 46 CG GLN A 4 113.782 19.049 7.069 1.00 0.00 C ATOM 47 CD GLN A 4 112.693 19.032 8.138 1.00 0.00 C ATOM 48 OE1 GLN A 4 112.488 17.944 8.828 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 112.009 20.035 8.346 1.00 0.00 N flip ATOM 0 H GLN A 4 111.569 20.094 3.774 1.00 0.00 H new ATOM 0 HA GLN A 4 113.222 17.817 4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 4 114.073 20.125 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 4 112.563 20.498 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 4 114.120 18.032 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 4 114.647 19.606 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 4 112.172 20.884 7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 4 111.280 20.016 9.059 1.00 0.00 H new ATOM 58 N HIS A 5 110.142 18.461 5.215 1.00 0.00 N ATOM 59 CA HIS A 5 108.884 18.013 5.817 1.00 0.00 C ATOM 60 C HIS A 5 109.100 16.837 6.768 1.00 0.00 C ATOM 61 O HIS A 5 108.746 15.701 6.449 1.00 0.00 O ATOM 62 CB HIS A 5 107.906 17.612 4.713 1.00 0.00 C ATOM 63 CG HIS A 5 108.663 16.995 3.568 1.00 0.00 C ATOM 64 ND1 HIS A 5 109.886 16.376 3.500 1.00 0.00 N flip ATOM 65 CD2 HIS A 5 108.156 16.970 2.277 1.00 0.00 C flip ATOM 66 CE1 HIS A 5 110.136 15.972 2.192 1.00 0.00 C flip ATOM 67 NE2 HIS A 5 109.061 16.355 1.497 1.00 0.00 N flip ATOM 0 H HIS A 5 110.021 19.077 4.411 1.00 0.00 H new ATOM 0 HA HIS A 5 108.474 18.839 6.398 1.00 0.00 H new ATOM 0 HB2 HIS A 5 107.174 16.904 5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 5 107.353 18.486 4.368 1.00 0.00 H new ATOM 0 HD2 HIS A 5 107.206 17.372 1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 5 111.010 15.459 1.819 1.00 0.00 H new ATOM 0 HE2 HIS A 5 108.942 16.199 0.496 1.00 0.00 H new ATOM 75 N ASP A 6 109.676 17.127 7.935 1.00 0.00 N ATOM 76 CA ASP A 6 109.941 16.104 8.945 1.00 0.00 C ATOM 77 C ASP A 6 109.951 14.703 8.337 1.00 0.00 C ATOM 78 O ASP A 6 108.911 14.053 8.243 1.00 0.00 O ATOM 79 CB ASP A 6 108.873 16.176 10.040 1.00 0.00 C ATOM 80 CG ASP A 6 108.771 17.600 10.576 1.00 0.00 C ATOM 81 OD1 ASP A 6 108.411 18.477 9.808 1.00 0.00 O ATOM 82 OD2 ASP A 6 109.053 17.793 11.748 1.00 0.00 O ATOM 0 H ASP A 6 109.969 18.066 8.204 1.00 0.00 H new ATOM 0 HA ASP A 6 110.927 16.297 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.909 15.859 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 6 109.124 15.491 10.850 1.00 0.00 H new ATOM 87 N GLU A 7 111.129 14.237 7.927 1.00 0.00 N ATOM 88 CA GLU A 7 111.245 12.907 7.336 1.00 0.00 C ATOM 89 C GLU A 7 111.657 11.894 8.401 1.00 0.00 C ATOM 90 O GLU A 7 112.652 12.085 9.101 1.00 0.00 O ATOM 91 CB GLU A 7 112.255 12.927 6.179 1.00 0.00 C ATOM 92 CG GLU A 7 112.902 11.546 6.004 1.00 0.00 C ATOM 93 CD GLU A 7 113.515 11.430 4.613 1.00 0.00 C ATOM 94 OE1 GLU A 7 114.239 12.333 4.229 1.00 0.00 O ATOM 95 OE2 GLU A 7 113.254 10.438 3.953 1.00 0.00 O ATOM 0 H GLU A 7 112.006 14.754 7.992 1.00 0.00 H new ATOM 0 HA GLU A 7 110.275 12.609 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.754 13.219 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 7 113.025 13.673 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 7 113.670 11.396 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 7 112.156 10.765 6.148 1.00 0.00 H new ATOM 102 N ARG A 8 110.868 10.826 8.530 1.00 0.00 N ATOM 103 CA ARG A 8 111.142 9.796 9.529 1.00 0.00 C ATOM 104 C ARG A 8 111.238 8.406 8.899 1.00 0.00 C ATOM 105 O ARG A 8 111.565 7.435 9.583 1.00 0.00 O ATOM 106 CB ARG A 8 110.023 9.777 10.573 1.00 0.00 C ATOM 107 CG ARG A 8 110.170 10.956 11.549 1.00 0.00 C ATOM 108 CD ARG A 8 109.649 12.265 10.928 1.00 0.00 C ATOM 109 NE ARG A 8 108.512 12.026 10.042 1.00 0.00 N ATOM 110 CZ ARG A 8 107.477 12.865 9.996 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.415 13.882 10.812 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.517 12.670 9.136 1.00 0.00 N ATOM 0 H ARG A 8 110.040 10.654 7.959 1.00 0.00 H new ATOM 0 HA ARG A 8 112.099 10.038 9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 8 109.054 9.829 10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 8 110.049 8.837 11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.621 10.742 12.466 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.218 11.074 11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 8 109.355 12.952 11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.451 12.748 10.369 1.00 0.00 H new ATOM 0 HE ARG A 8 108.510 11.199 9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 8 108.161 14.038 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 8 106.620 14.520 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 8 106.558 11.875 8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.725 13.312 9.101 1.00 0.00 H new ATOM 126 N ARG A 9 110.957 8.307 7.599 1.00 0.00 N ATOM 127 CA ARG A 9 111.027 7.013 6.911 1.00 0.00 C ATOM 128 C ARG A 9 112.182 7.005 5.923 1.00 0.00 C ATOM 129 O ARG A 9 112.004 7.271 4.733 1.00 0.00 O ATOM 130 CB ARG A 9 109.704 6.680 6.193 1.00 0.00 C ATOM 131 CG ARG A 9 108.962 7.960 5.808 1.00 0.00 C ATOM 132 CD ARG A 9 107.542 7.618 5.345 1.00 0.00 C ATOM 133 NE ARG A 9 106.701 8.817 5.359 1.00 0.00 N ATOM 134 CZ ARG A 9 106.222 9.360 4.239 1.00 0.00 C ATOM 135 NH1 ARG A 9 106.516 8.848 3.073 1.00 0.00 N ATOM 136 NH2 ARG A 9 105.456 10.416 4.307 1.00 0.00 N ATOM 0 H ARG A 9 110.683 9.092 7.008 1.00 0.00 H new ATOM 0 HA ARG A 9 111.197 6.244 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.908 6.089 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 9 109.075 6.070 6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 9 108.923 8.639 6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 9 109.499 8.477 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.571 7.198 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 9 107.113 6.857 5.997 1.00 0.00 H new ATOM 0 HE ARG A 9 106.474 9.251 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 9 107.117 8.026 3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 9 106.145 9.271 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.226 10.822 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 9 105.087 10.835 3.453 1.00 0.00 H new ATOM 150 N ARG A 10 113.364 6.694 6.445 1.00 0.00 N ATOM 151 CA ARG A 10 114.591 6.639 5.643 1.00 0.00 C ATOM 152 C ARG A 10 114.430 7.372 4.307 1.00 0.00 C ATOM 153 O ARG A 10 114.684 8.575 4.222 1.00 0.00 O ATOM 154 CB ARG A 10 115.012 5.176 5.403 1.00 0.00 C ATOM 155 CG ARG A 10 113.788 4.246 5.457 1.00 0.00 C ATOM 156 CD ARG A 10 113.586 3.743 6.889 1.00 0.00 C ATOM 157 NE ARG A 10 112.240 3.197 7.048 1.00 0.00 N ATOM 158 CZ ARG A 10 111.997 2.191 7.881 1.00 0.00 C ATOM 159 NH1 ARG A 10 112.960 1.698 8.613 1.00 0.00 N ATOM 160 NH2 ARG A 10 110.791 1.702 7.973 1.00 0.00 N ATOM 0 H ARG A 10 113.503 6.473 7.431 1.00 0.00 H new ATOM 0 HA ARG A 10 115.374 7.147 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 10 115.501 5.087 4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.740 4.873 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 10 112.899 4.779 5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 10 113.930 3.402 4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 10 114.326 2.977 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.740 4.560 7.594 1.00 0.00 H new ATOM 0 HE ARG A 10 111.472 3.596 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.901 2.085 8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.771 0.926 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.038 2.092 7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.601 0.930 8.612 1.00 0.00 H new ATOM 174 N PHE A 11 114.013 6.649 3.267 1.00 0.00 N ATOM 175 CA PHE A 11 113.829 7.253 1.946 1.00 0.00 C ATOM 176 C PHE A 11 112.357 7.217 1.543 1.00 0.00 C ATOM 177 O PHE A 11 111.542 6.564 2.193 1.00 0.00 O ATOM 178 CB PHE A 11 114.670 6.499 0.904 1.00 0.00 C ATOM 179 CG PHE A 11 116.038 7.140 0.782 1.00 0.00 C ATOM 180 CD1 PHE A 11 116.868 7.237 1.907 1.00 0.00 C ATOM 181 CD2 PHE A 11 116.476 7.635 -0.455 1.00 0.00 C ATOM 182 CE1 PHE A 11 118.133 7.829 1.795 1.00 0.00 C ATOM 183 CE2 PHE A 11 117.741 8.227 -0.564 1.00 0.00 C ATOM 184 CZ PHE A 11 118.568 8.323 0.560 1.00 0.00 C ATOM 0 H PHE A 11 113.798 5.653 3.312 1.00 0.00 H new ATOM 0 HA PHE A 11 114.156 8.292 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.773 5.454 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 11 114.165 6.512 -0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 11 116.533 6.856 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 11 115.838 7.560 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 11 118.773 7.904 2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 11 118.078 8.609 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 11 119.543 8.779 0.475 1.00 0.00 H new ATOM 194 N HIS A 12 112.026 7.923 0.467 1.00 0.00 N ATOM 195 CA HIS A 12 110.649 7.963 -0.013 1.00 0.00 C ATOM 196 C HIS A 12 110.195 6.575 -0.448 1.00 0.00 C ATOM 197 O HIS A 12 110.973 5.803 -1.009 1.00 0.00 O ATOM 198 CB HIS A 12 110.529 8.934 -1.191 1.00 0.00 C ATOM 199 CG HIS A 12 111.099 10.272 -0.803 1.00 0.00 C ATOM 200 ND1 HIS A 12 110.315 11.412 -0.713 1.00 0.00 N ATOM 201 CD2 HIS A 12 112.373 10.667 -0.476 1.00 0.00 C ATOM 202 CE1 HIS A 12 111.117 12.429 -0.348 1.00 0.00 C ATOM 203 NE2 HIS A 12 112.381 12.030 -0.190 1.00 0.00 N ATOM 0 H HIS A 12 112.686 8.471 -0.085 1.00 0.00 H new ATOM 0 HA HIS A 12 110.011 8.305 0.802 1.00 0.00 H new ATOM 0 HB2 HIS A 12 111.060 8.538 -2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 12 109.484 9.043 -1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 12 113.237 10.020 -0.445 1.00 0.00 H new ATOM 0 HE1 HIS A 12 110.779 13.444 -0.201 1.00 0.00 H new ATOM 0 HE2 HIS A 12 113.181 12.601 0.082 1.00 0.00 H new ATOM 211 N ARG A 13 108.930 6.262 -0.186 1.00 0.00 N ATOM 212 CA ARG A 13 108.381 4.962 -0.555 1.00 0.00 C ATOM 213 C ARG A 13 107.872 4.997 -1.992 1.00 0.00 C ATOM 214 O ARG A 13 107.691 6.069 -2.570 1.00 0.00 O ATOM 215 CB ARG A 13 107.234 4.577 0.390 1.00 0.00 C ATOM 216 CG ARG A 13 107.534 5.072 1.811 1.00 0.00 C ATOM 217 CD ARG A 13 106.231 5.158 2.606 1.00 0.00 C ATOM 218 NE ARG A 13 105.434 6.291 2.153 1.00 0.00 N ATOM 219 CZ ARG A 13 104.371 6.699 2.838 1.00 0.00 C ATOM 220 NH1 ARG A 13 104.039 6.093 3.943 1.00 0.00 N ATOM 221 NH2 ARG A 13 103.661 7.705 2.407 1.00 0.00 N ATOM 0 H ARG A 13 108.270 6.886 0.277 1.00 0.00 H new ATOM 0 HA ARG A 13 109.172 4.217 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 13 106.299 5.010 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 13 107.103 3.495 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 13 108.230 4.393 2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 13 108.015 6.050 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.663 4.235 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.452 5.262 3.668 1.00 0.00 H new ATOM 0 HE ARG A 13 105.696 6.779 1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.595 5.307 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 13 103.223 6.405 4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 13 103.921 8.180 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 13 102.845 8.017 2.934 1.00 0.00 H new ATOM 235 N ILE A 14 107.638 3.821 -2.563 1.00 0.00 N ATOM 236 CA ILE A 14 107.145 3.736 -3.931 1.00 0.00 C ATOM 237 C ILE A 14 105.683 4.151 -3.980 1.00 0.00 C ATOM 238 O ILE A 14 104.791 3.352 -3.692 1.00 0.00 O ATOM 239 CB ILE A 14 107.295 2.310 -4.459 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.783 1.985 -4.637 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.580 2.180 -5.809 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.491 2.013 -3.279 1.00 0.00 C ATOM 0 H ILE A 14 107.780 2.921 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 14 107.731 4.408 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 14 106.851 1.614 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.897 1.003 -5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.243 2.707 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.689 1.162 -6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.522 2.409 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.020 2.877 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.547 1.781 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.391 3.004 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.039 1.274 -2.618 1.00 0.00 H new ATOM 254 N ALA A 15 105.443 5.408 -4.334 1.00 0.00 N ATOM 255 CA ALA A 15 104.078 5.915 -4.400 1.00 0.00 C ATOM 256 C ALA A 15 103.516 5.829 -5.810 1.00 0.00 C ATOM 257 O ALA A 15 104.031 6.440 -6.746 1.00 0.00 O ATOM 258 CB ALA A 15 104.039 7.372 -3.935 1.00 0.00 C ATOM 0 H ALA A 15 106.165 6.087 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 15 103.465 5.295 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.016 7.743 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.396 7.436 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.678 7.977 -4.579 1.00 0.00 H new ATOM 264 N PHE A 16 102.424 5.091 -5.928 1.00 0.00 N ATOM 265 CA PHE A 16 101.728 4.932 -7.192 1.00 0.00 C ATOM 266 C PHE A 16 100.249 4.725 -6.902 1.00 0.00 C ATOM 267 O PHE A 16 99.891 4.293 -5.806 1.00 0.00 O ATOM 268 CB PHE A 16 102.305 3.760 -7.994 1.00 0.00 C ATOM 269 CG PHE A 16 101.916 2.435 -7.374 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.158 2.190 -6.015 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.330 1.441 -8.169 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.808 0.957 -5.455 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.986 0.206 -7.606 1.00 0.00 C ATOM 274 CZ PHE A 16 101.224 -0.035 -6.250 1.00 0.00 C ATOM 0 H PHE A 16 101.997 4.587 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 16 101.860 5.827 -7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.944 3.805 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.391 3.842 -8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.614 2.953 -5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 16 101.144 1.628 -9.216 1.00 0.00 H new ATOM 0 HE1 PHE A 16 101.989 0.770 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.537 -0.561 -8.220 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.957 -0.987 -5.816 1.00 0.00 H new ATOM 284 N ASP A 17 99.385 5.046 -7.854 1.00 0.00 N ATOM 285 CA ASP A 17 97.953 4.892 -7.626 1.00 0.00 C ATOM 286 C ASP A 17 97.458 3.558 -8.168 1.00 0.00 C ATOM 287 O ASP A 17 97.960 3.061 -9.175 1.00 0.00 O ATOM 288 CB ASP A 17 97.190 6.033 -8.301 1.00 0.00 C ATOM 289 CG ASP A 17 95.691 5.829 -8.124 1.00 0.00 C ATOM 290 OD1 ASP A 17 95.163 4.912 -8.732 1.00 0.00 O ATOM 291 OD2 ASP A 17 95.091 6.591 -7.383 1.00 0.00 O ATOM 0 H ASP A 17 99.641 5.407 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 17 97.775 4.920 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.489 6.988 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.438 6.071 -9.362 1.00 0.00 H new ATOM 296 N ALA A 18 96.464 2.990 -7.493 1.00 0.00 N ATOM 297 CA ALA A 18 95.891 1.717 -7.909 1.00 0.00 C ATOM 298 C ALA A 18 94.772 1.315 -6.956 1.00 0.00 C ATOM 299 O ALA A 18 94.506 2.003 -5.973 1.00 0.00 O ATOM 300 CB ALA A 18 96.961 0.626 -7.935 1.00 0.00 C ATOM 0 H ALA A 18 96.040 3.391 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 18 95.487 1.834 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.512 -0.317 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.747 0.904 -8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.388 0.511 -6.939 1.00 0.00 H new ATOM 306 N ASP A 19 94.120 0.200 -7.256 1.00 0.00 N ATOM 307 CA ASP A 19 93.028 -0.279 -6.416 1.00 0.00 C ATOM 308 C ASP A 19 93.526 -1.322 -5.425 1.00 0.00 C ATOM 309 O ASP A 19 94.245 -2.249 -5.797 1.00 0.00 O ATOM 310 CB ASP A 19 91.929 -0.889 -7.286 1.00 0.00 C ATOM 311 CG ASP A 19 90.712 -1.224 -6.430 1.00 0.00 C ATOM 312 OD1 ASP A 19 89.872 -0.357 -6.264 1.00 0.00 O ATOM 313 OD2 ASP A 19 90.639 -2.346 -5.953 1.00 0.00 O ATOM 0 H ASP A 19 94.324 -0.385 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 19 92.627 0.569 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.648 -0.191 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.299 -1.790 -7.775 1.00 0.00 H new ATOM 318 N SER A 20 93.120 -1.179 -4.167 1.00 0.00 N ATOM 319 CA SER A 20 93.510 -2.133 -3.137 1.00 0.00 C ATOM 320 C SER A 20 92.299 -2.528 -2.299 1.00 0.00 C ATOM 321 O SER A 20 91.348 -1.764 -2.156 1.00 0.00 O ATOM 322 CB SER A 20 94.587 -1.533 -2.236 1.00 0.00 C ATOM 323 OG SER A 20 94.729 -2.338 -1.074 1.00 0.00 O ATOM 0 H SER A 20 92.526 -0.418 -3.839 1.00 0.00 H new ATOM 0 HA SER A 20 93.912 -3.021 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 20 95.535 -1.476 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 20 94.317 -0.515 -1.956 1.00 0.00 H new ATOM 0 HG SER A 20 95.421 -1.956 -0.494 1.00 0.00 H new ATOM 329 N GLU A 21 92.351 -3.727 -1.739 1.00 0.00 N ATOM 330 CA GLU A 21 91.265 -4.225 -0.898 1.00 0.00 C ATOM 331 C GLU A 21 91.840 -4.725 0.411 1.00 0.00 C ATOM 332 O GLU A 21 93.016 -5.081 0.478 1.00 0.00 O ATOM 333 CB GLU A 21 90.529 -5.369 -1.602 1.00 0.00 C ATOM 334 CG GLU A 21 89.825 -4.838 -2.850 1.00 0.00 C ATOM 335 CD GLU A 21 89.048 -5.961 -3.527 1.00 0.00 C ATOM 336 OE1 GLU A 21 89.299 -7.109 -3.199 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.214 -5.659 -4.364 1.00 0.00 O ATOM 0 H GLU A 21 93.131 -4.375 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 21 90.559 -3.416 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.234 -6.153 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.801 -5.817 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.148 -4.028 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.558 -4.423 -3.542 1.00 0.00 H new ATOM 344 N ILE A 22 91.023 -4.744 1.456 1.00 0.00 N ATOM 345 CA ILE A 22 91.507 -5.204 2.751 1.00 0.00 C ATOM 346 C ILE A 22 90.474 -6.082 3.447 1.00 0.00 C ATOM 347 O ILE A 22 89.290 -5.785 3.451 1.00 0.00 O ATOM 348 CB ILE A 22 91.866 -3.997 3.614 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.024 -3.251 2.946 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.292 -4.459 5.011 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.507 -2.118 3.849 1.00 0.00 C ATOM 0 H ILE A 22 90.045 -4.454 1.436 1.00 0.00 H new ATOM 0 HA ILE A 22 92.398 -5.813 2.598 1.00 0.00 H new ATOM 0 HB ILE A 22 91.000 -3.342 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.844 -3.941 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.702 -2.849 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.546 -3.591 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.472 -5.003 5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.161 -5.112 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.331 -1.593 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.688 -1.421 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.847 -2.530 4.799 1.00 0.00 H new ATOM 363 N LEU A 23 90.952 -7.178 4.020 1.00 0.00 N ATOM 364 CA LEU A 23 90.089 -8.135 4.704 1.00 0.00 C ATOM 365 C LEU A 23 90.556 -8.378 6.126 1.00 0.00 C ATOM 366 O LEU A 23 91.713 -8.715 6.371 1.00 0.00 O ATOM 367 CB LEU A 23 90.096 -9.473 3.954 1.00 0.00 C ATOM 368 CG LEU A 23 90.409 -9.225 2.480 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.921 -9.267 2.267 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.742 -10.302 1.619 1.00 0.00 C ATOM 0 H LEU A 23 91.941 -7.429 4.025 1.00 0.00 H new ATOM 0 HA LEU A 23 89.083 -7.716 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.839 -10.142 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.128 -9.964 4.054 1.00 0.00 H new ATOM 0 HG LEU A 23 90.026 -8.246 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.145 -9.090 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.395 -8.496 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.303 -10.245 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.969 -10.120 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.119 -11.283 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.663 -10.270 1.768 1.00 0.00 H new ATOM 382 N GLN A 24 89.629 -8.229 7.052 1.00 0.00 N ATOM 383 CA GLN A 24 89.923 -8.461 8.461 1.00 0.00 C ATOM 384 C GLN A 24 88.837 -9.336 9.070 1.00 0.00 C ATOM 385 O GLN A 24 87.738 -8.861 9.357 1.00 0.00 O ATOM 386 CB GLN A 24 89.986 -7.128 9.210 1.00 0.00 C ATOM 387 CG GLN A 24 90.538 -7.342 10.631 1.00 0.00 C ATOM 388 CD GLN A 24 89.400 -7.365 11.647 1.00 0.00 C ATOM 389 OE1 GLN A 24 88.382 -8.021 11.426 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.513 -6.682 12.753 1.00 0.00 N ATOM 0 H GLN A 24 88.667 -7.949 6.860 1.00 0.00 H new ATOM 0 HA GLN A 24 90.887 -8.963 8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.620 -6.427 8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 24 88.992 -6.684 9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 24 91.092 -8.280 10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.239 -6.545 10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 24 90.358 -6.139 12.933 1.00 0.00 H new ATOM 0 HE22 GLN A 24 88.757 -6.691 13.437 1.00 0.00 H new ATOM 399 N GLY A 25 89.131 -10.621 9.244 1.00 0.00 N ATOM 400 CA GLY A 25 88.147 -11.542 9.794 1.00 0.00 C ATOM 401 C GLY A 25 87.177 -11.983 8.706 1.00 0.00 C ATOM 402 O GLY A 25 87.589 -12.455 7.646 1.00 0.00 O ATOM 0 H GLY A 25 90.031 -11.042 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.649 -12.411 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.601 -11.061 10.606 1.00 0.00 H new ATOM 406 N GLU A 26 85.887 -11.817 8.970 1.00 0.00 N ATOM 407 CA GLU A 26 84.855 -12.189 8.011 1.00 0.00 C ATOM 408 C GLU A 26 84.349 -10.950 7.279 1.00 0.00 C ATOM 409 O GLU A 26 83.303 -10.984 6.630 1.00 0.00 O ATOM 410 CB GLU A 26 83.687 -12.854 8.750 1.00 0.00 C ATOM 411 CG GLU A 26 83.345 -12.052 10.013 1.00 0.00 C ATOM 412 CD GLU A 26 84.165 -12.556 11.201 1.00 0.00 C ATOM 413 OE1 GLU A 26 85.355 -12.764 11.032 1.00 0.00 O ATOM 414 OE2 GLU A 26 83.589 -12.724 12.263 1.00 0.00 O ATOM 0 H GLU A 26 85.530 -11.426 9.842 1.00 0.00 H new ATOM 0 HA GLU A 26 85.278 -12.885 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.816 -12.910 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 26 83.950 -13.877 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.547 -10.994 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.281 -12.143 10.232 1.00 0.00 H new ATOM 421 N ARG A 27 85.083 -9.848 7.418 1.00 0.00 N ATOM 422 CA ARG A 27 84.689 -8.586 6.799 1.00 0.00 C ATOM 423 C ARG A 27 85.666 -8.127 5.722 1.00 0.00 C ATOM 424 O ARG A 27 86.882 -8.169 5.912 1.00 0.00 O ATOM 425 CB ARG A 27 84.636 -7.512 7.873 1.00 0.00 C ATOM 426 CG ARG A 27 83.507 -7.827 8.860 1.00 0.00 C ATOM 427 CD ARG A 27 83.949 -7.426 10.262 1.00 0.00 C ATOM 428 NE ARG A 27 82.796 -7.286 11.144 1.00 0.00 N ATOM 429 CZ ARG A 27 82.951 -7.148 12.457 1.00 0.00 C ATOM 430 NH1 ARG A 27 84.149 -7.141 12.974 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.906 -7.020 13.228 1.00 0.00 N ATOM 0 H ARG A 27 85.951 -9.804 7.952 1.00 0.00 H new ATOM 0 HA ARG A 27 83.719 -8.745 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.589 -7.462 8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.472 -6.536 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.602 -7.287 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.266 -8.890 8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.631 -8.176 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.498 -6.485 10.221 1.00 0.00 H new ATOM 0 HE ARG A 27 81.856 -7.294 10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 27 84.965 -7.241 12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 27 84.269 -7.035 13.981 1.00 0.00 H new ATOM 0 HH21 ARG A 27 80.970 -7.026 12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 27 82.025 -6.914 14.235 1.00 0.00 H new ATOM 445 N ARG A 28 85.123 -7.675 4.600 1.00 0.00 N ATOM 446 CA ARG A 28 85.943 -7.186 3.489 1.00 0.00 C ATOM 447 C ARG A 28 85.466 -5.812 3.051 1.00 0.00 C ATOM 448 O ARG A 28 84.284 -5.484 3.157 1.00 0.00 O ATOM 449 CB ARG A 28 85.865 -8.155 2.303 1.00 0.00 C ATOM 450 CG ARG A 28 86.926 -7.781 1.259 1.00 0.00 C ATOM 451 CD ARG A 28 86.650 -8.520 -0.053 1.00 0.00 C ATOM 452 NE ARG A 28 87.839 -8.506 -0.904 1.00 0.00 N ATOM 453 CZ ARG A 28 88.038 -9.449 -1.820 1.00 0.00 C ATOM 454 NH1 ARG A 28 87.159 -10.401 -1.979 1.00 0.00 N ATOM 455 NH2 ARG A 28 89.109 -9.420 -2.563 1.00 0.00 N ATOM 0 H ARG A 28 84.118 -7.635 4.430 1.00 0.00 H new ATOM 0 HA ARG A 28 86.977 -7.118 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.023 -9.178 2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.872 -8.118 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.917 -6.704 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.919 -8.037 1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 28 86.356 -9.549 0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.816 -8.050 -0.574 1.00 0.00 H new ATOM 0 HE ARG A 28 88.527 -7.761 -0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.319 -10.422 -1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 28 87.312 -11.124 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.794 -8.674 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 28 89.262 -10.143 -3.266 1.00 0.00 H new ATOM 469 N TRP A 29 86.402 -5.005 2.573 1.00 0.00 N ATOM 470 CA TRP A 29 86.102 -3.655 2.132 1.00 0.00 C ATOM 471 C TRP A 29 87.008 -3.254 0.972 1.00 0.00 C ATOM 472 O TRP A 29 88.108 -3.786 0.818 1.00 0.00 O ATOM 473 CB TRP A 29 86.355 -2.690 3.280 1.00 0.00 C ATOM 474 CG TRP A 29 85.552 -3.069 4.476 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.212 -2.948 4.591 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.029 -3.613 5.734 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.834 -3.380 5.852 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.924 -3.801 6.594 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.306 -3.956 6.205 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.084 -4.311 7.882 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.472 -4.471 7.498 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.363 -4.648 8.337 1.00 0.00 C ATOM 0 H TRP A 29 87.383 -5.267 2.481 1.00 0.00 H new ATOM 0 HA TRP A 29 85.061 -3.620 1.811 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.415 -2.689 3.533 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.100 -1.676 2.972 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.546 -2.576 3.827 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.872 -3.387 6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.167 -3.822 5.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.226 -4.445 8.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.459 -4.733 7.850 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.496 -5.044 9.333 1.00 0.00 H new ATOM 493 N GLU A 30 86.547 -2.298 0.172 1.00 0.00 N ATOM 494 CA GLU A 30 87.328 -1.812 -0.958 1.00 0.00 C ATOM 495 C GLU A 30 88.005 -0.496 -0.585 1.00 0.00 C ATOM 496 O GLU A 30 87.395 0.351 0.066 1.00 0.00 O ATOM 497 CB GLU A 30 86.413 -1.591 -2.164 1.00 0.00 C ATOM 498 CG GLU A 30 85.491 -2.800 -2.331 1.00 0.00 C ATOM 499 CD GLU A 30 84.799 -2.745 -3.688 1.00 0.00 C ATOM 500 OE1 GLU A 30 85.489 -2.861 -4.688 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.590 -2.589 -3.709 1.00 0.00 O ATOM 0 H GLU A 30 85.640 -1.846 0.285 1.00 0.00 H new ATOM 0 HA GLU A 30 88.087 -2.552 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.822 -0.686 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 30 87.009 -1.447 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 30 86.067 -3.721 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.747 -2.813 -1.535 1.00 0.00 H new ATOM 508 N VAL A 31 89.260 -0.323 -0.980 1.00 0.00 N ATOM 509 CA VAL A 31 89.980 0.904 -0.652 1.00 0.00 C ATOM 510 C VAL A 31 90.982 1.266 -1.743 1.00 0.00 C ATOM 511 O VAL A 31 91.426 0.413 -2.509 1.00 0.00 O ATOM 512 CB VAL A 31 90.723 0.729 0.677 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.719 0.714 1.830 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.494 -0.591 0.659 1.00 0.00 C ATOM 0 H VAL A 31 89.795 -1.004 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 31 89.251 1.710 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 31 91.418 1.557 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.250 0.589 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.168 1.654 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.022 -0.113 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.023 -0.716 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.797 -1.418 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.213 -0.581 -0.160 1.00 0.00 H new ATOM 524 N LEU A 32 91.347 2.541 -1.787 1.00 0.00 N ATOM 525 CA LEU A 32 92.316 3.028 -2.759 1.00 0.00 C ATOM 526 C LEU A 32 93.676 3.109 -2.079 1.00 0.00 C ATOM 527 O LEU A 32 93.796 3.679 -0.994 1.00 0.00 O ATOM 528 CB LEU A 32 91.882 4.415 -3.268 1.00 0.00 C ATOM 529 CG LEU A 32 93.074 5.188 -3.859 1.00 0.00 C ATOM 530 CD1 LEU A 32 93.723 4.381 -4.990 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.574 6.526 -4.413 1.00 0.00 C ATOM 0 H LEU A 32 90.985 3.258 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 32 92.375 2.353 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 91.107 4.301 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.445 4.986 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 32 93.815 5.358 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 32 94.565 4.940 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 94.076 3.427 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 32 92.990 4.202 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.412 7.081 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.832 6.343 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.122 7.106 -3.609 1.00 0.00 H new ATOM 543 N LEU A 33 94.697 2.544 -2.708 1.00 0.00 N ATOM 544 CA LEU A 33 96.031 2.580 -2.125 1.00 0.00 C ATOM 545 C LEU A 33 96.786 3.795 -2.637 1.00 0.00 C ATOM 546 O LEU A 33 96.889 4.019 -3.843 1.00 0.00 O ATOM 547 CB LEU A 33 96.798 1.295 -2.462 1.00 0.00 C ATOM 548 CG LEU A 33 98.300 1.464 -2.144 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.802 0.258 -1.348 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.090 1.569 -3.453 1.00 0.00 C ATOM 0 H LEU A 33 94.631 2.064 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 33 95.939 2.651 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.391 0.461 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.668 1.053 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 33 98.441 2.370 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.862 0.384 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.244 0.180 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.659 -0.650 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.150 1.688 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.943 0.663 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.740 2.431 -4.021 1.00 0.00 H new ATOM 562 N HIS A 34 97.288 4.587 -1.703 1.00 0.00 N ATOM 563 CA HIS A 34 98.010 5.800 -2.048 1.00 0.00 C ATOM 564 C HIS A 34 99.510 5.542 -2.203 1.00 0.00 C ATOM 565 O HIS A 34 100.166 6.216 -2.998 1.00 0.00 O ATOM 566 CB HIS A 34 97.739 6.856 -0.988 1.00 0.00 C ATOM 567 CG HIS A 34 96.344 7.390 -1.165 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.074 8.528 -1.907 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.129 6.944 -0.704 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.743 8.726 -1.873 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.120 7.791 -1.153 1.00 0.00 N ATOM 0 H HIS A 34 97.209 4.412 -0.701 1.00 0.00 H new ATOM 0 HA HIS A 34 97.656 6.158 -3.015 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.853 6.427 0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.464 7.666 -1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.980 6.070 -0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.240 9.543 -2.369 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.119 7.714 -0.971 1.00 0.00 H new ATOM 579 N ASP A 35 100.054 4.554 -1.498 1.00 0.00 N ATOM 580 CA ASP A 35 101.479 4.247 -1.665 1.00 0.00 C ATOM 581 C ASP A 35 101.860 2.970 -0.926 1.00 0.00 C ATOM 582 O ASP A 35 101.127 2.496 -0.057 1.00 0.00 O ATOM 583 CB ASP A 35 102.354 5.416 -1.198 1.00 0.00 C ATOM 584 CG ASP A 35 102.323 5.511 0.324 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.392 6.104 0.844 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.233 4.989 0.949 1.00 0.00 O ATOM 0 H ASP A 35 99.555 3.969 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 35 101.656 4.090 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.379 5.275 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.996 6.347 -1.637 1.00 0.00 H new ATOM 591 N VAL A 36 103.008 2.404 -1.300 1.00 0.00 N ATOM 592 CA VAL A 36 103.479 1.164 -0.693 1.00 0.00 C ATOM 593 C VAL A 36 105.001 1.140 -0.598 1.00 0.00 C ATOM 594 O VAL A 36 105.692 1.962 -1.199 1.00 0.00 O ATOM 595 CB VAL A 36 102.987 -0.030 -1.526 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.835 -0.164 -2.795 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.095 -1.325 -0.716 1.00 0.00 C ATOM 0 H VAL A 36 103.625 2.784 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 36 103.078 1.099 0.319 1.00 0.00 H new ATOM 0 HB VAL A 36 101.945 0.142 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.481 -1.012 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.750 0.747 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.878 -0.322 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.743 -2.162 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.135 -1.493 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.484 -1.244 0.183 1.00 0.00 H new ATOM 607 N SER A 37 105.507 0.161 0.145 1.00 0.00 N ATOM 608 CA SER A 37 106.938 -0.031 0.319 1.00 0.00 C ATOM 609 C SER A 37 107.204 -1.531 0.333 1.00 0.00 C ATOM 610 O SER A 37 106.264 -2.322 0.411 1.00 0.00 O ATOM 611 CB SER A 37 107.410 0.592 1.634 1.00 0.00 C ATOM 612 OG SER A 37 108.829 0.533 1.699 1.00 0.00 O ATOM 0 H SER A 37 104.934 -0.521 0.643 1.00 0.00 H new ATOM 0 HA SER A 37 107.481 0.452 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.074 1.627 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.973 0.060 2.479 1.00 0.00 H new ATOM 0 HG SER A 37 109.135 0.933 2.540 1.00 0.00 H new ATOM 618 N LEU A 38 108.460 -1.936 0.247 1.00 0.00 N ATOM 619 CA LEU A 38 108.756 -3.361 0.241 1.00 0.00 C ATOM 620 C LEU A 38 108.356 -4.004 1.569 1.00 0.00 C ATOM 621 O LEU A 38 108.513 -5.211 1.754 1.00 0.00 O ATOM 622 CB LEU A 38 110.242 -3.605 -0.043 1.00 0.00 C ATOM 623 CG LEU A 38 110.439 -5.018 -0.612 1.00 0.00 C ATOM 624 CD1 LEU A 38 110.285 -4.990 -2.136 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.841 -5.520 -0.256 1.00 0.00 C ATOM 0 H LEU A 38 109.271 -1.320 0.182 1.00 0.00 H new ATOM 0 HA LEU A 38 108.172 -3.823 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.613 -2.863 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.821 -3.488 0.873 1.00 0.00 H new ATOM 0 HG LEU A 38 109.689 -5.684 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 38 110.426 -5.995 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 38 109.288 -4.633 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 38 111.032 -4.322 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 38 111.982 -6.523 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.587 -4.849 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 38 111.954 -5.546 0.828 1.00 0.00 H new ATOM 637 N HIS A 39 107.833 -3.197 2.493 1.00 0.00 N ATOM 638 CA HIS A 39 107.416 -3.721 3.790 1.00 0.00 C ATOM 639 C HIS A 39 106.470 -2.753 4.506 1.00 0.00 C ATOM 640 O HIS A 39 106.599 -2.528 5.709 1.00 0.00 O ATOM 641 CB HIS A 39 108.643 -3.979 4.667 1.00 0.00 C ATOM 642 CG HIS A 39 109.296 -2.669 5.018 1.00 0.00 C ATOM 643 ND1 HIS A 39 109.719 -1.618 4.241 1.00 0.00 N flip ATOM 644 CD2 HIS A 39 109.590 -2.317 6.326 1.00 0.00 C flip ATOM 645 CE1 HIS A 39 110.266 -0.628 5.053 1.00 0.00 C flip ATOM 646 NE2 HIS A 39 110.164 -1.100 6.299 1.00 0.00 N flip ATOM 0 H HIS A 39 107.690 -2.195 2.369 1.00 0.00 H new ATOM 0 HA HIS A 39 106.882 -4.656 3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.349 -4.506 5.575 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.350 -4.620 4.141 1.00 0.00 H new ATOM 0 HD1 HIS A 39 109.644 -1.570 3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 39 109.394 -2.911 7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 39 110.683 0.318 4.742 1.00 0.00 H new ATOM 654 N GLY A 40 105.519 -2.188 3.766 1.00 0.00 N ATOM 655 CA GLY A 40 104.561 -1.252 4.357 1.00 0.00 C ATOM 656 C GLY A 40 103.576 -0.739 3.307 1.00 0.00 C ATOM 657 O GLY A 40 103.864 -0.772 2.116 1.00 0.00 O ATOM 0 H GLY A 40 105.390 -2.358 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.016 -1.744 5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.095 -0.412 4.801 1.00 0.00 H new ATOM 661 N ILE A 41 102.402 -0.290 3.755 1.00 0.00 N ATOM 662 CA ILE A 41 101.371 0.200 2.835 1.00 0.00 C ATOM 663 C ILE A 41 100.524 1.305 3.472 1.00 0.00 C ATOM 664 O ILE A 41 100.286 1.316 4.677 1.00 0.00 O ATOM 665 CB ILE A 41 100.473 -0.980 2.400 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.992 -0.572 2.394 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.667 -2.152 3.361 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.158 -1.693 1.771 1.00 0.00 C ATOM 0 H ILE A 41 102.142 -0.255 4.741 1.00 0.00 H new ATOM 0 HA ILE A 41 101.864 0.630 1.963 1.00 0.00 H new ATOM 0 HB ILE A 41 100.758 -1.272 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.654 -0.375 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.860 0.351 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.033 -2.984 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.711 -2.466 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.396 -1.843 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.107 -1.405 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.491 -1.869 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.281 -2.605 2.354 1.00 0.00 H new ATOM 680 N LEU A 42 100.055 2.221 2.620 1.00 0.00 N ATOM 681 CA LEU A 42 99.206 3.335 3.046 1.00 0.00 C ATOM 682 C LEU A 42 97.890 3.264 2.276 1.00 0.00 C ATOM 683 O LEU A 42 97.894 3.085 1.057 1.00 0.00 O ATOM 684 CB LEU A 42 99.901 4.673 2.742 1.00 0.00 C ATOM 685 CG LEU A 42 99.665 5.677 3.874 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.556 6.904 3.657 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.204 6.120 3.878 1.00 0.00 C ATOM 0 H LEU A 42 100.253 2.211 1.619 1.00 0.00 H new ATOM 0 HA LEU A 42 99.023 3.268 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.971 4.511 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.523 5.080 1.804 1.00 0.00 H new ATOM 0 HG LEU A 42 99.905 5.205 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.390 7.621 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.602 6.598 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.310 7.368 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.043 6.834 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.964 6.590 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.561 5.252 4.027 1.00 0.00 H new ATOM 699 N VAL A 43 96.767 3.385 2.975 1.00 0.00 N ATOM 700 CA VAL A 43 95.467 3.309 2.308 1.00 0.00 C ATOM 701 C VAL A 43 94.503 4.379 2.808 1.00 0.00 C ATOM 702 O VAL A 43 94.790 5.104 3.760 1.00 0.00 O ATOM 703 CB VAL A 43 94.849 1.928 2.528 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.782 0.853 1.966 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.643 1.695 4.027 1.00 0.00 C ATOM 0 H VAL A 43 96.726 3.533 3.983 1.00 0.00 H new ATOM 0 HA VAL A 43 95.637 3.480 1.245 1.00 0.00 H new ATOM 0 HB VAL A 43 93.888 1.875 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.340 -0.131 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.927 1.019 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.744 0.904 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.202 0.711 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.604 1.749 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.976 2.459 4.426 1.00 0.00 H new ATOM 715 N GLY A 44 93.338 4.436 2.168 1.00 0.00 N ATOM 716 CA GLY A 44 92.288 5.383 2.556 1.00 0.00 C ATOM 717 C GLY A 44 91.262 4.667 3.429 1.00 0.00 C ATOM 718 O GLY A 44 91.005 3.480 3.226 1.00 0.00 O ATOM 0 H GLY A 44 93.094 3.839 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.722 6.223 3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.805 5.792 1.669 1.00 0.00 H new ATOM 722 N GLN A 45 90.694 5.355 4.424 1.00 0.00 N ATOM 723 CA GLN A 45 89.732 4.710 5.316 1.00 0.00 C ATOM 724 C GLN A 45 88.304 4.778 4.761 1.00 0.00 C ATOM 725 O GLN A 45 87.758 5.867 4.596 1.00 0.00 O ATOM 726 CB GLN A 45 89.777 5.406 6.685 1.00 0.00 C ATOM 727 CG GLN A 45 89.112 6.789 6.612 1.00 0.00 C ATOM 728 CD GLN A 45 87.623 6.681 6.938 1.00 0.00 C ATOM 729 OE1 GLN A 45 86.793 7.289 6.262 1.00 0.00 O ATOM 730 NE2 GLN A 45 87.234 5.939 7.938 1.00 0.00 N ATOM 0 H GLN A 45 90.879 6.337 4.628 1.00 0.00 H new ATOM 0 HA GLN A 45 90.005 3.659 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 45 89.269 4.791 7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 45 90.812 5.511 7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 45 89.596 7.470 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.243 7.211 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.922 5.436 8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.241 5.862 8.160 1.00 0.00 H new ATOM 739 N PRO A 46 87.675 3.669 4.477 1.00 0.00 N ATOM 740 CA PRO A 46 86.283 3.670 3.960 1.00 0.00 C ATOM 741 C PRO A 46 85.258 3.713 5.100 1.00 0.00 C ATOM 742 O PRO A 46 85.579 3.401 6.247 1.00 0.00 O ATOM 743 CB PRO A 46 86.212 2.365 3.180 1.00 0.00 C ATOM 744 CG PRO A 46 87.106 1.434 3.945 1.00 0.00 C ATOM 745 CD PRO A 46 88.202 2.305 4.590 1.00 0.00 C ATOM 0 HA PRO A 46 86.049 4.543 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.191 1.986 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.556 2.494 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.543 0.894 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.544 0.687 3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.374 2.027 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.154 2.200 4.070 1.00 0.00 H new ATOM 753 N GLN A 47 84.035 4.122 4.778 1.00 0.00 N ATOM 754 CA GLN A 47 82.974 4.230 5.780 1.00 0.00 C ATOM 755 C GLN A 47 82.585 2.870 6.362 1.00 0.00 C ATOM 756 O GLN A 47 82.068 2.792 7.476 1.00 0.00 O ATOM 757 CB GLN A 47 81.741 4.882 5.149 1.00 0.00 C ATOM 758 CG GLN A 47 82.171 6.075 4.290 1.00 0.00 C ATOM 759 CD GLN A 47 83.158 6.947 5.060 1.00 0.00 C ATOM 760 OE1 GLN A 47 82.754 7.750 5.901 1.00 0.00 O ATOM 761 NE2 GLN A 47 84.436 6.833 4.825 1.00 0.00 N ATOM 0 H GLN A 47 83.752 4.384 3.834 1.00 0.00 H new ATOM 0 HA GLN A 47 83.356 4.842 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.206 4.155 4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.053 5.211 5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.630 5.722 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 47 81.298 6.663 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 47 84.769 6.167 4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 47 85.102 7.410 5.338 1.00 0.00 H new ATOM 770 N ASP A 48 82.811 1.804 5.601 1.00 0.00 N ATOM 771 CA ASP A 48 82.452 0.459 6.057 1.00 0.00 C ATOM 772 C ASP A 48 83.569 -0.172 6.887 1.00 0.00 C ATOM 773 O ASP A 48 83.517 -1.359 7.207 1.00 0.00 O ATOM 774 CB ASP A 48 82.146 -0.434 4.854 1.00 0.00 C ATOM 775 CG ASP A 48 80.835 0.001 4.207 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.848 0.995 3.499 1.00 0.00 O ATOM 777 OD2 ASP A 48 79.837 -0.666 4.429 1.00 0.00 O ATOM 0 H ASP A 48 83.236 1.840 4.675 1.00 0.00 H new ATOM 0 HA ASP A 48 81.568 0.549 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.958 -0.373 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.078 -1.475 5.170 1.00 0.00 H new ATOM 782 N TRP A 49 84.580 0.619 7.221 1.00 0.00 N ATOM 783 CA TRP A 49 85.708 0.116 8.003 1.00 0.00 C ATOM 784 C TRP A 49 85.278 -0.403 9.367 1.00 0.00 C ATOM 785 O TRP A 49 85.656 0.160 10.392 1.00 0.00 O ATOM 786 CB TRP A 49 86.721 1.229 8.221 1.00 0.00 C ATOM 787 CG TRP A 49 87.978 0.655 8.793 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.288 0.615 10.106 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.074 0.039 8.087 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.537 0.022 10.255 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.069 -0.340 9.024 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.295 -0.212 6.726 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.254 -0.952 8.595 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.474 -0.824 6.301 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.450 -1.185 7.228 1.00 0.00 C ATOM 0 H TRP A 49 84.645 1.605 6.966 1.00 0.00 H new ATOM 0 HA TRP A 49 86.143 -0.708 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.934 1.731 7.277 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.312 1.981 8.896 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.667 0.983 10.910 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.002 -0.128 11.151 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.546 0.071 6.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.009 -1.241 9.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.631 -1.019 5.250 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.365 -1.648 6.889 1.00 0.00 H new ATOM 806 N ASN A 50 84.521 -1.488 9.396 1.00 0.00 N ATOM 807 CA ASN A 50 84.110 -2.059 10.676 1.00 0.00 C ATOM 808 C ASN A 50 85.108 -3.135 11.090 1.00 0.00 C ATOM 809 O ASN A 50 84.855 -4.327 10.920 1.00 0.00 O ATOM 810 CB ASN A 50 82.698 -2.644 10.582 1.00 0.00 C ATOM 811 CG ASN A 50 82.285 -3.245 11.922 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.243 -2.885 12.470 1.00 0.00 O ATOM 813 ND2 ASN A 50 83.042 -4.148 12.485 1.00 0.00 N ATOM 0 H ASN A 50 84.183 -1.984 8.571 1.00 0.00 H new ATOM 0 HA ASN A 50 84.094 -1.271 11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 50 81.993 -1.865 10.292 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.665 -3.409 9.806 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.770 -4.556 13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.905 -4.446 12.030 1.00 0.00 H new ATOM 820 N GLY A 51 86.255 -2.706 11.619 1.00 0.00 N ATOM 821 CA GLY A 51 87.293 -3.647 12.033 1.00 0.00 C ATOM 822 C GLY A 51 88.041 -3.151 13.263 1.00 0.00 C ATOM 823 O GLY A 51 88.244 -1.951 13.445 1.00 0.00 O ATOM 0 H GLY A 51 86.486 -1.724 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.842 -4.616 12.247 1.00 0.00 H new ATOM 0 HA3 GLY A 51 87.997 -3.797 11.214 1.00 0.00 H new ATOM 827 N ASP A 52 88.450 -4.096 14.101 1.00 0.00 N ATOM 828 CA ASP A 52 89.178 -3.779 15.322 1.00 0.00 C ATOM 829 C ASP A 52 90.646 -3.459 15.011 1.00 0.00 C ATOM 830 O ASP A 52 91.355 -4.283 14.434 1.00 0.00 O ATOM 831 CB ASP A 52 89.102 -4.966 16.287 1.00 0.00 C ATOM 832 CG ASP A 52 87.799 -4.912 17.081 1.00 0.00 C ATOM 833 OD1 ASP A 52 86.764 -4.709 16.470 1.00 0.00 O ATOM 834 OD2 ASP A 52 87.857 -5.075 18.289 1.00 0.00 O ATOM 0 H ASP A 52 88.288 -5.093 13.955 1.00 0.00 H new ATOM 0 HA ASP A 52 88.722 -2.902 15.782 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.160 -5.902 15.731 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.953 -4.947 16.968 1.00 0.00 H new ATOM 839 N PRO A 53 91.112 -2.283 15.375 1.00 0.00 N ATOM 840 CA PRO A 53 92.524 -1.861 15.119 1.00 0.00 C ATOM 841 C PRO A 53 93.527 -2.755 15.832 1.00 0.00 C ATOM 842 O PRO A 53 94.694 -2.823 15.445 1.00 0.00 O ATOM 843 CB PRO A 53 92.592 -0.419 15.643 1.00 0.00 C ATOM 844 CG PRO A 53 91.433 -0.271 16.573 1.00 0.00 C ATOM 845 CD PRO A 53 90.355 -1.233 16.081 1.00 0.00 C ATOM 0 HA PRO A 53 92.783 -1.935 14.063 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.534 -0.234 16.159 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.531 0.298 14.824 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.725 -0.506 17.597 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.066 0.755 16.574 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.779 -1.645 16.910 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.648 -0.735 15.417 1.00 0.00 H new ATOM 853 N GLN A 54 93.077 -3.426 16.881 1.00 0.00 N ATOM 854 CA GLN A 54 93.965 -4.293 17.638 1.00 0.00 C ATOM 855 C GLN A 54 94.208 -5.615 16.911 1.00 0.00 C ATOM 856 O GLN A 54 95.225 -6.271 17.135 1.00 0.00 O ATOM 857 CB GLN A 54 93.376 -4.569 19.022 1.00 0.00 C ATOM 858 CG GLN A 54 93.023 -3.245 19.702 1.00 0.00 C ATOM 859 CD GLN A 54 92.329 -3.511 21.034 1.00 0.00 C ATOM 860 OE1 GLN A 54 91.550 -4.550 21.158 1.00 0.00 O flip ATOM 861 NE2 GLN A 54 92.502 -2.751 21.987 1.00 0.00 N flip ATOM 0 H GLN A 54 92.117 -3.388 17.223 1.00 0.00 H new ATOM 0 HA GLN A 54 94.921 -3.780 17.742 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.486 -5.192 18.932 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.092 -5.122 19.630 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.927 -2.658 19.864 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.373 -2.656 19.055 1.00 0.00 H new ATOM 0 HE21 GLN A 54 93.112 -1.939 21.888 1.00 0.00 H new ATOM 0 HE22 GLN A 54 92.036 -2.933 22.876 1.00 0.00 H new ATOM 870 N ARG A 55 93.278 -6.006 16.043 1.00 0.00 N ATOM 871 CA ARG A 55 93.424 -7.258 15.301 1.00 0.00 C ATOM 872 C ARG A 55 94.097 -7.002 13.951 1.00 0.00 C ATOM 873 O ARG A 55 94.049 -5.894 13.425 1.00 0.00 O ATOM 874 CB ARG A 55 92.049 -7.912 15.092 1.00 0.00 C ATOM 875 CG ARG A 55 91.797 -8.958 16.185 1.00 0.00 C ATOM 876 CD ARG A 55 90.529 -9.749 15.856 1.00 0.00 C ATOM 877 NE ARG A 55 90.584 -10.258 14.490 1.00 0.00 N ATOM 878 CZ ARG A 55 91.467 -11.186 14.134 1.00 0.00 C ATOM 879 NH1 ARG A 55 92.305 -11.663 15.014 1.00 0.00 N ATOM 880 NH2 ARG A 55 91.495 -11.621 12.905 1.00 0.00 N ATOM 0 H ARG A 55 92.427 -5.483 15.837 1.00 0.00 H new ATOM 0 HA ARG A 55 94.052 -7.935 15.880 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.268 -7.152 15.116 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.006 -8.382 14.110 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.650 -9.633 16.260 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.692 -8.469 17.153 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.419 -10.578 16.555 1.00 0.00 H new ATOM 0 HD3 ARG A 55 89.654 -9.111 15.978 1.00 0.00 H new ATOM 0 HE ARG A 55 89.932 -9.895 13.794 1.00 0.00 H new ATOM 0 HH11 ARG A 55 92.283 -11.324 15.976 1.00 0.00 H new ATOM 0 HH12 ARG A 55 92.982 -12.375 14.740 1.00 0.00 H new ATOM 0 HH21 ARG A 55 90.840 -11.249 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 55 92.172 -12.333 12.631 1.00 0.00 H new ATOM 894 N PRO A 56 94.735 -8.005 13.399 1.00 0.00 N ATOM 895 CA PRO A 56 95.456 -7.894 12.092 1.00 0.00 C ATOM 896 C PRO A 56 94.516 -7.689 10.907 1.00 0.00 C ATOM 897 O PRO A 56 93.320 -7.969 10.984 1.00 0.00 O ATOM 898 CB PRO A 56 96.220 -9.218 11.978 1.00 0.00 C ATOM 899 CG PRO A 56 95.457 -10.183 12.824 1.00 0.00 C ATOM 900 CD PRO A 56 94.843 -9.364 13.960 1.00 0.00 C ATOM 0 HA PRO A 56 96.107 -7.020 12.068 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.271 -9.556 10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.246 -9.112 12.329 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.683 -10.683 12.242 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.113 -10.960 13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.868 -9.754 14.252 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.473 -9.380 14.850 1.00 0.00 H new ATOM 908 N PHE A 57 95.084 -7.201 9.807 1.00 0.00 N ATOM 909 CA PHE A 57 94.329 -6.954 8.583 1.00 0.00 C ATOM 910 C PHE A 57 95.071 -7.569 7.395 1.00 0.00 C ATOM 911 O PHE A 57 96.287 -7.752 7.459 1.00 0.00 O ATOM 912 CB PHE A 57 94.212 -5.442 8.348 1.00 0.00 C ATOM 913 CG PHE A 57 93.487 -4.782 9.501 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.145 -4.577 10.721 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.159 -4.365 9.346 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.472 -3.955 11.782 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.489 -3.745 10.406 1.00 0.00 C ATOM 918 CZ PHE A 57 92.145 -3.540 11.623 1.00 0.00 C ATOM 0 H PHE A 57 96.075 -6.967 9.739 1.00 0.00 H new ATOM 0 HA PHE A 57 93.338 -7.397 8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.205 -5.007 8.238 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.677 -5.253 7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.169 -4.898 10.844 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.651 -4.522 8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 57 93.978 -3.796 12.723 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.465 -3.425 10.284 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.628 -3.061 12.441 1.00 0.00 H new ATOM 928 N GLU A 58 94.362 -7.860 6.301 1.00 0.00 N ATOM 929 CA GLU A 58 95.021 -8.418 5.113 1.00 0.00 C ATOM 930 C GLU A 58 94.741 -7.515 3.917 1.00 0.00 C ATOM 931 O GLU A 58 93.643 -6.993 3.785 1.00 0.00 O ATOM 932 CB GLU A 58 94.526 -9.840 4.834 1.00 0.00 C ATOM 933 CG GLU A 58 95.130 -10.804 5.858 1.00 0.00 C ATOM 934 CD GLU A 58 94.799 -12.242 5.476 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.697 -12.673 5.769 1.00 0.00 O ATOM 936 OE2 GLU A 58 95.654 -12.891 4.897 1.00 0.00 O ATOM 0 H GLU A 58 93.355 -7.723 6.211 1.00 0.00 H new ATOM 0 HA GLU A 58 96.095 -8.467 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.438 -9.874 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 58 94.807 -10.142 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 58 96.211 -10.670 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 58 94.740 -10.584 6.852 1.00 0.00 H new ATOM 943 N ALA A 59 95.742 -7.288 3.077 1.00 0.00 N ATOM 944 CA ALA A 59 95.588 -6.395 1.932 1.00 0.00 C ATOM 945 C ALA A 59 95.947 -7.062 0.610 1.00 0.00 C ATOM 946 O ALA A 59 96.916 -7.812 0.515 1.00 0.00 O ATOM 947 CB ALA A 59 96.525 -5.202 2.118 1.00 0.00 C ATOM 0 H ALA A 59 96.668 -7.708 3.165 1.00 0.00 H new ATOM 0 HA ALA A 59 94.540 -6.100 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.423 -4.524 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.266 -4.676 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.555 -5.554 2.179 1.00 0.00 H new ATOM 953 N ARG A 60 95.176 -6.726 -0.419 1.00 0.00 N ATOM 954 CA ARG A 60 95.421 -7.228 -1.766 1.00 0.00 C ATOM 955 C ARG A 60 95.550 -6.055 -2.723 1.00 0.00 C ATOM 956 O ARG A 60 94.684 -5.181 -2.753 1.00 0.00 O ATOM 957 CB ARG A 60 94.264 -8.124 -2.235 1.00 0.00 C ATOM 958 CG ARG A 60 94.432 -9.545 -1.681 1.00 0.00 C ATOM 959 CD ARG A 60 94.219 -9.566 -0.166 1.00 0.00 C ATOM 960 NE ARG A 60 93.208 -10.558 0.171 1.00 0.00 N ATOM 961 CZ ARG A 60 93.479 -11.858 0.132 1.00 0.00 C ATOM 962 NH1 ARG A 60 94.669 -12.267 -0.214 1.00 0.00 N ATOM 963 NH2 ARG A 60 92.554 -12.727 0.436 1.00 0.00 N ATOM 0 H ARG A 60 94.371 -6.104 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 60 96.340 -7.814 -1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.314 -7.707 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.235 -8.152 -3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 60 93.719 -10.214 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 60 95.429 -9.917 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 60 95.156 -9.800 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 60 93.907 -8.581 0.181 1.00 0.00 H new ATOM 0 HE ARG A 60 92.274 -10.249 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 60 95.392 -11.588 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 60 94.877 -13.265 -0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 60 91.623 -12.408 0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 60 92.762 -13.725 0.406 1.00 0.00 H new ATOM 977 N LEU A 61 96.625 -6.023 -3.500 1.00 0.00 N ATOM 978 CA LEU A 61 96.828 -4.926 -4.442 1.00 0.00 C ATOM 979 C LEU A 61 96.626 -5.409 -5.872 1.00 0.00 C ATOM 980 O LEU A 61 97.204 -6.416 -6.284 1.00 0.00 O ATOM 981 CB LEU A 61 98.240 -4.351 -4.290 1.00 0.00 C ATOM 982 CG LEU A 61 98.649 -4.354 -2.817 1.00 0.00 C ATOM 983 CD1 LEU A 61 100.082 -3.836 -2.686 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.707 -3.446 -2.028 1.00 0.00 C ATOM 0 H LEU A 61 97.360 -6.731 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 61 96.098 -4.147 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.947 -4.941 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.272 -3.335 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 61 98.592 -5.369 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.375 -3.838 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.755 -4.481 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.139 -2.820 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 61 97.997 -3.446 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.767 -2.431 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.685 -3.812 -2.123 1.00 0.00 H new ATOM 996 N TYR A 62 95.803 -4.688 -6.626 1.00 0.00 N ATOM 997 CA TYR A 62 95.531 -5.054 -8.012 1.00 0.00 C ATOM 998 C TYR A 62 96.150 -4.039 -8.971 1.00 0.00 C ATOM 999 O TYR A 62 95.688 -2.901 -9.076 1.00 0.00 O ATOM 1000 CB TYR A 62 94.021 -5.129 -8.248 1.00 0.00 C ATOM 1001 CG TYR A 62 93.379 -5.973 -7.170 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.137 -5.430 -5.902 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.026 -7.301 -7.441 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.539 -6.217 -4.906 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.430 -8.085 -6.447 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.186 -7.543 -5.180 1.00 0.00 C ATOM 1007 OH TYR A 62 91.598 -8.317 -4.201 1.00 0.00 O ATOM 0 H TYR A 62 95.315 -3.852 -6.304 1.00 0.00 H new ATOM 0 HA TYR A 62 95.976 -6.031 -8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.592 -4.127 -8.243 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.817 -5.558 -9.229 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.410 -4.407 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.214 -7.720 -8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.351 -5.799 -3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.158 -9.109 -6.658 1.00 0.00 H new ATOM 0 HH TYR A 62 90.785 -7.875 -3.879 1.00 0.00 H new ATOM 1017 N LEU A 63 97.196 -4.471 -9.676 1.00 0.00 N ATOM 1018 CA LEU A 63 97.879 -3.611 -10.639 1.00 0.00 C ATOM 1019 C LEU A 63 97.481 -4.015 -12.057 1.00 0.00 C ATOM 1020 O LEU A 63 96.549 -3.453 -12.632 1.00 0.00 O ATOM 1021 CB LEU A 63 99.399 -3.728 -10.456 1.00 0.00 C ATOM 1022 CG LEU A 63 100.094 -2.484 -11.022 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.594 -2.571 -10.740 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.865 -2.404 -12.536 1.00 0.00 C ATOM 0 H LEU A 63 97.587 -5.410 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 63 97.587 -2.574 -10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.639 -3.839 -9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.766 -4.621 -10.961 1.00 0.00 H new ATOM 0 HG LEU A 63 99.681 -1.593 -10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 63 102.091 -1.688 -11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.759 -2.623 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 63 102.002 -3.464 -11.214 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.361 -1.518 -12.933 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.275 -3.294 -13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.796 -2.343 -12.740 1.00 0.00 H new ATOM 1036 N GLY A 64 98.173 -5.008 -12.606 1.00 0.00 N ATOM 1037 CA GLY A 64 97.858 -5.492 -13.944 1.00 0.00 C ATOM 1038 C GLY A 64 96.604 -6.355 -13.886 1.00 0.00 C ATOM 1039 O GLY A 64 96.059 -6.586 -12.807 1.00 0.00 O ATOM 0 H GLY A 64 98.948 -5.489 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.703 -4.651 -14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.693 -6.070 -14.340 1.00 0.00 H new ATOM 1043 N LEU A 65 96.138 -6.828 -15.036 1.00 0.00 N ATOM 1044 CA LEU A 65 94.937 -7.654 -15.052 1.00 0.00 C ATOM 1045 C LEU A 65 95.252 -9.027 -14.465 1.00 0.00 C ATOM 1046 O LEU A 65 94.440 -9.612 -13.749 1.00 0.00 O ATOM 1047 CB LEU A 65 94.406 -7.774 -16.491 1.00 0.00 C ATOM 1048 CG LEU A 65 93.147 -8.660 -16.559 1.00 0.00 C ATOM 1049 CD1 LEU A 65 93.518 -10.146 -16.424 1.00 0.00 C ATOM 1050 CD2 LEU A 65 92.163 -8.266 -15.451 1.00 0.00 C ATOM 0 H LEU A 65 96.561 -6.659 -15.949 1.00 0.00 H new ATOM 0 HA LEU A 65 94.162 -7.189 -14.442 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.175 -6.782 -16.878 1.00 0.00 H new ATOM 0 HB3 LEU A 65 95.182 -8.193 -17.132 1.00 0.00 H new ATOM 0 HG LEU A 65 92.674 -8.507 -17.529 1.00 0.00 H new ATOM 0 HD11 LEU A 65 92.614 -10.753 -16.475 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.190 -10.428 -17.234 1.00 0.00 H new ATOM 0 HD13 LEU A 65 94.013 -10.312 -15.467 1.00 0.00 H new ATOM 0 HD21 LEU A 65 91.277 -8.899 -15.509 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.639 -8.396 -14.479 1.00 0.00 H new ATOM 0 HD23 LEU A 65 91.873 -7.223 -15.576 1.00 0.00 H new ATOM 1062 N ASP A 66 96.450 -9.528 -14.759 1.00 0.00 N ATOM 1063 CA ASP A 66 96.908 -10.822 -14.268 1.00 0.00 C ATOM 1064 C ASP A 66 97.806 -10.659 -13.042 1.00 0.00 C ATOM 1065 O ASP A 66 98.440 -11.618 -12.601 1.00 0.00 O ATOM 1066 CB ASP A 66 97.735 -11.488 -15.371 1.00 0.00 C ATOM 1067 CG ASP A 66 98.018 -12.941 -15.004 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.583 -13.360 -13.944 1.00 0.00 O ATOM 1069 OD2 ASP A 66 98.665 -13.614 -15.788 1.00 0.00 O ATOM 0 H ASP A 66 97.131 -9.045 -15.346 1.00 0.00 H new ATOM 0 HA ASP A 66 96.038 -11.420 -13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.198 -11.441 -16.318 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.673 -10.950 -15.509 1.00 0.00 H new ATOM 1074 N VAL A 67 97.878 -9.442 -12.507 1.00 0.00 N ATOM 1075 CA VAL A 67 98.731 -9.180 -11.345 1.00 0.00 C ATOM 1076 C VAL A 67 97.914 -9.007 -10.074 1.00 0.00 C ATOM 1077 O VAL A 67 97.434 -7.916 -9.763 1.00 0.00 O ATOM 1078 CB VAL A 67 99.596 -7.933 -11.591 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.101 -7.362 -10.258 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.803 -8.314 -12.459 1.00 0.00 C ATOM 0 H VAL A 67 97.365 -8.631 -12.852 1.00 0.00 H new ATOM 0 HA VAL A 67 99.378 -10.047 -11.209 1.00 0.00 H new ATOM 0 HB VAL A 67 98.991 -7.181 -12.097 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.712 -6.480 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.250 -7.087 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.700 -8.114 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.418 -7.431 -12.635 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.395 -9.072 -11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.455 -8.709 -13.413 1.00 0.00 H new ATOM 1090 N LEU A 68 97.797 -10.097 -9.330 1.00 0.00 N ATOM 1091 CA LEU A 68 97.081 -10.093 -8.065 1.00 0.00 C ATOM 1092 C LEU A 68 98.092 -10.334 -6.947 1.00 0.00 C ATOM 1093 O LEU A 68 98.742 -11.378 -6.905 1.00 0.00 O ATOM 1094 CB LEU A 68 96.008 -11.191 -8.077 1.00 0.00 C ATOM 1095 CG LEU A 68 95.645 -11.597 -6.647 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.115 -10.381 -5.884 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.563 -12.678 -6.689 1.00 0.00 C ATOM 0 H LEU A 68 98.193 -11.002 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 68 96.583 -9.137 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.119 -10.834 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.372 -12.059 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 68 96.532 -11.981 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.858 -10.674 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.882 -9.607 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.228 -9.995 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.301 -12.970 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.679 -12.288 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.937 -13.546 -7.231 1.00 0.00 H new ATOM 1109 N ILE A 69 98.237 -9.359 -6.055 1.00 0.00 N ATOM 1110 CA ILE A 69 99.194 -9.476 -4.956 1.00 0.00 C ATOM 1111 C ILE A 69 98.475 -9.572 -3.615 1.00 0.00 C ATOM 1112 O ILE A 69 97.440 -8.941 -3.409 1.00 0.00 O ATOM 1113 CB ILE A 69 100.134 -8.264 -4.970 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.075 -8.361 -6.190 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.962 -8.230 -3.675 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.040 -7.050 -6.983 1.00 0.00 C ATOM 0 H ILE A 69 97.710 -8.486 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 69 99.774 -10.389 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 69 99.545 -7.349 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.093 -8.569 -5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.772 -9.190 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.628 -7.367 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.293 -8.156 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.553 -9.143 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.707 -7.127 -7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.024 -6.861 -7.328 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.365 -6.229 -6.344 1.00 0.00 H new ATOM 1128 N ARG A 70 99.046 -10.358 -2.702 1.00 0.00 N ATOM 1129 CA ARG A 70 98.471 -10.526 -1.370 1.00 0.00 C ATOM 1130 C ARG A 70 99.521 -10.266 -0.287 1.00 0.00 C ATOM 1131 O ARG A 70 100.631 -10.810 -0.329 1.00 0.00 O ATOM 1132 CB ARG A 70 97.899 -11.937 -1.223 1.00 0.00 C ATOM 1133 CG ARG A 70 98.752 -12.919 -2.033 1.00 0.00 C ATOM 1134 CD ARG A 70 98.327 -14.353 -1.714 1.00 0.00 C ATOM 1135 NE ARG A 70 98.898 -15.278 -2.687 1.00 0.00 N ATOM 1136 CZ ARG A 70 99.101 -16.557 -2.386 1.00 0.00 C ATOM 1137 NH1 ARG A 70 98.787 -17.005 -1.202 1.00 0.00 N ATOM 1138 NH2 ARG A 70 99.614 -17.364 -3.274 1.00 0.00 N ATOM 0 H ARG A 70 99.904 -10.886 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 70 97.667 -9.800 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.887 -12.229 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 70 96.867 -11.961 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 70 98.636 -12.723 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.807 -12.781 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 70 98.655 -14.622 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 70 97.240 -14.428 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 70 99.146 -14.937 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 70 98.386 -16.374 -0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 70 98.942 -17.986 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 70 99.860 -17.014 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 70 99.769 -18.345 -3.042 1.00 0.00 H new ATOM 1152 N MET A 71 99.151 -9.438 0.691 1.00 0.00 N ATOM 1153 CA MET A 71 100.049 -9.102 1.792 1.00 0.00 C ATOM 1154 C MET A 71 99.268 -9.048 3.101 1.00 0.00 C ATOM 1155 O MET A 71 98.104 -8.661 3.119 1.00 0.00 O ATOM 1156 CB MET A 71 100.714 -7.732 1.551 1.00 0.00 C ATOM 1157 CG MET A 71 100.886 -7.468 0.049 1.00 0.00 C ATOM 1158 SD MET A 71 101.113 -5.690 -0.247 1.00 0.00 S ATOM 1159 CE MET A 71 102.245 -5.330 1.123 1.00 0.00 C ATOM 0 H MET A 71 98.236 -8.989 0.741 1.00 0.00 H new ATOM 0 HA MET A 71 100.820 -9.871 1.850 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.106 -6.944 1.996 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.686 -7.702 2.044 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.746 -8.021 -0.330 1.00 0.00 H new ATOM 0 HG3 MET A 71 100.012 -7.827 -0.494 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.751 -4.383 0.937 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.681 -5.264 2.053 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.984 -6.127 1.203 1.00 0.00 H new ATOM 1169 N GLU A 72 99.928 -9.403 4.197 1.00 0.00 N ATOM 1170 CA GLU A 72 99.292 -9.351 5.510 1.00 0.00 C ATOM 1171 C GLU A 72 99.826 -8.124 6.232 1.00 0.00 C ATOM 1172 O GLU A 72 101.041 -7.939 6.305 1.00 0.00 O ATOM 1173 CB GLU A 72 99.606 -10.615 6.313 1.00 0.00 C ATOM 1174 CG GLU A 72 99.033 -10.479 7.726 1.00 0.00 C ATOM 1175 CD GLU A 72 99.003 -11.841 8.411 1.00 0.00 C ATOM 1176 OE1 GLU A 72 100.062 -12.310 8.799 1.00 0.00 O ATOM 1177 OE2 GLU A 72 97.925 -12.395 8.541 1.00 0.00 O ATOM 0 H GLU A 72 100.895 -9.727 4.205 1.00 0.00 H new ATOM 0 HA GLU A 72 98.209 -9.291 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.179 -11.488 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.684 -10.770 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.639 -9.784 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 72 98.026 -10.064 7.680 1.00 0.00 H new ATOM 1184 N ILE A 73 98.944 -7.258 6.721 1.00 0.00 N ATOM 1185 CA ILE A 73 99.407 -6.037 7.373 1.00 0.00 C ATOM 1186 C ILE A 73 98.677 -5.747 8.678 1.00 0.00 C ATOM 1187 O ILE A 73 97.554 -6.202 8.899 1.00 0.00 O ATOM 1188 CB ILE A 73 99.181 -4.861 6.427 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.677 -4.763 6.123 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.980 -5.073 5.127 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.420 -3.730 5.025 1.00 0.00 C ATOM 0 H ILE A 73 97.931 -7.372 6.681 1.00 0.00 H new ATOM 0 HA ILE A 73 100.462 -6.176 7.607 1.00 0.00 H new ATOM 0 HB ILE A 73 99.523 -3.935 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.299 -5.736 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.134 -4.485 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.814 -4.230 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.042 -5.147 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.650 -5.992 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.351 -3.673 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.780 -2.754 5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.946 -4.025 4.117 1.00 0.00 H new ATOM 1203 N SER A 74 99.332 -4.958 9.526 1.00 0.00 N ATOM 1204 CA SER A 74 98.760 -4.561 10.809 1.00 0.00 C ATOM 1205 C SER A 74 98.699 -3.036 10.894 1.00 0.00 C ATOM 1206 O SER A 74 99.470 -2.339 10.235 1.00 0.00 O ATOM 1207 CB SER A 74 99.612 -5.115 11.957 1.00 0.00 C ATOM 1208 OG SER A 74 100.845 -5.593 11.437 1.00 0.00 O ATOM 0 H SER A 74 100.262 -4.580 9.347 1.00 0.00 H new ATOM 0 HA SER A 74 97.751 -4.966 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.794 -4.337 12.699 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.081 -5.921 12.464 1.00 0.00 H new ATOM 0 HG SER A 74 101.336 -4.852 11.025 1.00 0.00 H new ATOM 1214 N LEU A 75 97.779 -2.526 11.703 1.00 0.00 N ATOM 1215 CA LEU A 75 97.625 -1.083 11.862 1.00 0.00 C ATOM 1216 C LEU A 75 98.855 -0.484 12.540 1.00 0.00 C ATOM 1217 O LEU A 75 99.186 -0.823 13.676 1.00 0.00 O ATOM 1218 CB LEU A 75 96.362 -0.784 12.683 1.00 0.00 C ATOM 1219 CG LEU A 75 95.630 0.436 12.112 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.138 0.139 10.690 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.432 0.766 13.005 1.00 0.00 C ATOM 0 H LEU A 75 97.131 -3.085 12.257 1.00 0.00 H new ATOM 0 HA LEU A 75 97.525 -0.628 10.877 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.701 -1.650 12.673 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.632 -0.600 13.723 1.00 0.00 H new ATOM 0 HG LEU A 75 96.315 1.283 12.080 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.620 1.012 10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 75 95.990 -0.097 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.454 -0.710 10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 75 93.907 1.633 12.604 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.754 -0.087 13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.780 0.987 14.014 1.00 0.00 H new ATOM 1233 N ALA A 76 99.498 0.450 11.834 1.00 0.00 N ATOM 1234 CA ALA A 76 100.664 1.145 12.368 1.00 0.00 C ATOM 1235 C ALA A 76 100.256 2.504 12.953 1.00 0.00 C ATOM 1236 O ALA A 76 100.734 2.909 14.012 1.00 0.00 O ATOM 1237 CB ALA A 76 101.725 1.306 11.282 1.00 0.00 C ATOM 0 H ALA A 76 99.229 0.739 10.894 1.00 0.00 H new ATOM 0 HA ALA A 76 101.093 0.549 13.174 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.590 1.826 11.693 1.00 0.00 H new ATOM 0 HB2 ALA A 76 102.030 0.323 10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.314 1.884 10.454 1.00 0.00 H new ATOM 1243 N TRP A 77 99.371 3.195 12.235 1.00 0.00 N ATOM 1244 CA TRP A 77 98.890 4.514 12.660 1.00 0.00 C ATOM 1245 C TRP A 77 97.720 4.952 11.775 1.00 0.00 C ATOM 1246 O TRP A 77 97.465 4.350 10.734 1.00 0.00 O ATOM 1247 CB TRP A 77 100.025 5.542 12.533 1.00 0.00 C ATOM 1248 CG TRP A 77 100.403 5.623 11.094 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.398 4.917 10.511 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.804 6.435 10.042 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.394 5.182 9.159 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.449 6.130 8.824 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.759 7.377 10.017 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.083 6.738 7.625 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.386 7.995 8.810 1.00 0.00 C ATOM 1256 CH2 TRP A 77 99.051 7.680 7.616 1.00 0.00 C ATOM 0 H TRP A 77 98.971 2.865 11.356 1.00 0.00 H new ATOM 0 HA TRP A 77 98.560 4.453 13.697 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.701 6.516 12.899 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.881 5.243 13.137 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.082 4.255 11.021 1.00 0.00 H new ATOM 0 HE1 TRP A 77 102.015 4.732 8.487 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.240 7.627 10.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.594 6.483 6.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.583 8.717 8.802 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.767 8.164 6.693 1.00 0.00 H new ATOM 1267 N ALA A 78 97.027 6.014 12.182 1.00 0.00 N ATOM 1268 CA ALA A 78 95.905 6.533 11.397 1.00 0.00 C ATOM 1269 C ALA A 78 95.804 8.046 11.571 1.00 0.00 C ATOM 1270 O ALA A 78 95.691 8.533 12.694 1.00 0.00 O ATOM 1271 CB ALA A 78 94.608 5.893 11.898 1.00 0.00 C ATOM 0 H ALA A 78 97.219 6.529 13.042 1.00 0.00 H new ATOM 0 HA ALA A 78 96.064 6.297 10.345 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.767 6.274 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.668 4.811 11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.464 6.138 12.950 1.00 0.00 H new ATOM 1277 N ARG A 79 95.839 8.796 10.467 1.00 0.00 N ATOM 1278 CA ARG A 79 95.743 10.252 10.575 1.00 0.00 C ATOM 1279 C ARG A 79 95.137 10.912 9.330 1.00 0.00 C ATOM 1280 O ARG A 79 95.558 10.643 8.205 1.00 0.00 O ATOM 1281 CB ARG A 79 97.134 10.835 10.850 1.00 0.00 C ATOM 1282 CG ARG A 79 97.017 12.204 11.525 1.00 0.00 C ATOM 1283 CD ARG A 79 98.411 12.702 11.904 1.00 0.00 C ATOM 1284 NE ARG A 79 98.340 14.071 12.410 1.00 0.00 N ATOM 1285 CZ ARG A 79 98.187 14.323 13.707 1.00 0.00 C ATOM 1286 NH1 ARG A 79 98.095 13.339 14.559 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.129 15.557 14.128 1.00 0.00 N ATOM 0 H ARG A 79 95.930 8.434 9.518 1.00 0.00 H new ATOM 0 HA ARG A 79 95.066 10.468 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.700 10.156 11.487 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.687 10.930 9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.535 12.914 10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.390 12.131 12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.844 12.049 12.662 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.068 12.662 11.035 1.00 0.00 H new ATOM 0 HE ARG A 79 98.409 14.850 11.755 1.00 0.00 H new ATOM 0 HH11 ARG A 79 98.140 12.374 14.231 1.00 0.00 H new ATOM 0 HH12 ARG A 79 97.978 13.535 15.553 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.201 16.327 13.463 1.00 0.00 H new ATOM 0 HH22 ARG A 79 98.012 15.752 15.122 1.00 0.00 H new ATOM 1301 N ASP A 80 94.195 11.830 9.553 1.00 0.00 N ATOM 1302 CA ASP A 80 93.588 12.593 8.461 1.00 0.00 C ATOM 1303 C ASP A 80 92.941 11.733 7.381 1.00 0.00 C ATOM 1304 O ASP A 80 93.125 11.997 6.192 1.00 0.00 O ATOM 1305 CB ASP A 80 94.650 13.484 7.814 1.00 0.00 C ATOM 1306 CG ASP A 80 93.981 14.529 6.928 1.00 0.00 C ATOM 1307 OD1 ASP A 80 93.646 15.584 7.439 1.00 0.00 O ATOM 1308 OD2 ASP A 80 93.812 14.258 5.749 1.00 0.00 O ATOM 0 H ASP A 80 93.836 12.063 10.479 1.00 0.00 H new ATOM 0 HA ASP A 80 92.788 13.181 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.244 13.975 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.335 12.877 7.222 1.00 0.00 H new ATOM 1313 N GLY A 81 92.143 10.746 7.769 1.00 0.00 N ATOM 1314 CA GLY A 81 91.446 9.929 6.779 1.00 0.00 C ATOM 1315 C GLY A 81 92.301 8.792 6.231 1.00 0.00 C ATOM 1316 O GLY A 81 91.766 7.765 5.814 1.00 0.00 O ATOM 0 H GLY A 81 91.963 10.494 8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.545 9.513 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.125 10.564 5.954 1.00 0.00 H new ATOM 1320 N LEU A 82 93.616 8.965 6.212 1.00 0.00 N ATOM 1321 CA LEU A 82 94.487 7.922 5.686 1.00 0.00 C ATOM 1322 C LEU A 82 94.890 6.963 6.798 1.00 0.00 C ATOM 1323 O LEU A 82 94.832 7.307 7.978 1.00 0.00 O ATOM 1324 CB LEU A 82 95.734 8.545 5.054 1.00 0.00 C ATOM 1325 CG LEU A 82 95.367 9.878 4.396 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.586 10.434 3.656 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.225 9.657 3.398 1.00 0.00 C ATOM 0 H LEU A 82 94.096 9.800 6.547 1.00 0.00 H new ATOM 0 HA LEU A 82 93.944 7.366 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.499 8.702 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.156 7.866 4.313 1.00 0.00 H new ATOM 0 HG LEU A 82 95.051 10.586 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.325 11.383 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.401 10.590 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.901 9.725 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.963 10.605 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.543 8.949 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.356 9.259 3.922 1.00 0.00 H new ATOM 1339 N LEU A 83 95.282 5.754 6.413 1.00 0.00 N ATOM 1340 CA LEU A 83 95.673 4.742 7.386 1.00 0.00 C ATOM 1341 C LEU A 83 97.017 4.128 7.034 1.00 0.00 C ATOM 1342 O LEU A 83 97.255 3.781 5.878 1.00 0.00 O ATOM 1343 CB LEU A 83 94.642 3.609 7.342 1.00 0.00 C ATOM 1344 CG LEU A 83 93.227 4.177 7.485 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.207 3.061 7.229 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.034 4.735 8.900 1.00 0.00 C ATOM 0 H LEU A 83 95.337 5.452 5.440 1.00 0.00 H new ATOM 0 HA LEU A 83 95.732 5.216 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.730 3.064 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.839 2.897 8.143 1.00 0.00 H new ATOM 0 HG LEU A 83 93.082 4.979 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.198 3.460 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.343 2.668 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.354 2.260 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.026 5.138 8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.178 3.937 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.761 5.527 9.081 1.00 0.00 H new ATOM 1358 N GLY A 84 97.889 3.970 8.016 1.00 0.00 N ATOM 1359 CA GLY A 84 99.184 3.369 7.758 1.00 0.00 C ATOM 1360 C GLY A 84 99.142 1.892 8.090 1.00 0.00 C ATOM 1361 O GLY A 84 98.353 1.455 8.929 1.00 0.00 O ATOM 0 H GLY A 84 97.727 4.245 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.457 3.508 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.950 3.863 8.356 1.00 0.00 H new ATOM 1365 N PHE A 85 99.979 1.125 7.420 1.00 0.00 N ATOM 1366 CA PHE A 85 100.014 -0.307 7.643 1.00 0.00 C ATOM 1367 C PHE A 85 101.426 -0.843 7.497 1.00 0.00 C ATOM 1368 O PHE A 85 102.114 -0.536 6.523 1.00 0.00 O ATOM 1369 CB PHE A 85 99.116 -0.989 6.617 1.00 0.00 C ATOM 1370 CG PHE A 85 97.690 -0.991 7.102 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.275 -1.940 8.042 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.781 -0.048 6.610 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.952 -1.944 8.491 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.458 -0.053 7.059 1.00 0.00 C ATOM 1375 CZ PHE A 85 95.044 -1.001 7.999 1.00 0.00 C ATOM 0 H PHE A 85 100.640 1.466 6.722 1.00 0.00 H new ATOM 0 HA PHE A 85 99.666 -0.512 8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.183 -0.470 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.453 -2.012 6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.976 -2.669 8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.102 0.684 5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.631 -2.675 9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.756 0.675 6.680 1.00 0.00 H new ATOM 0 HZ PHE A 85 94.021 -1.005 8.346 1.00 0.00 H new ATOM 1385 N GLU A 86 101.855 -1.661 8.451 1.00 0.00 N ATOM 1386 CA GLU A 86 103.189 -2.244 8.387 1.00 0.00 C ATOM 1387 C GLU A 86 103.066 -3.702 7.956 1.00 0.00 C ATOM 1388 O GLU A 86 102.306 -4.469 8.547 1.00 0.00 O ATOM 1389 CB GLU A 86 103.867 -2.164 9.756 1.00 0.00 C ATOM 1390 CG GLU A 86 105.320 -2.629 9.635 1.00 0.00 C ATOM 1391 CD GLU A 86 106.004 -2.562 10.998 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.967 -1.505 11.606 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.556 -3.569 11.411 1.00 0.00 O ATOM 0 H GLU A 86 101.307 -1.933 9.267 1.00 0.00 H new ATOM 0 HA GLU A 86 103.795 -1.692 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.832 -1.141 10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.334 -2.786 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.354 -3.649 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.853 -2.002 8.920 1.00 0.00 H new ATOM 1400 N CYS A 87 103.789 -4.072 6.907 1.00 0.00 N ATOM 1401 CA CYS A 87 103.720 -5.434 6.390 1.00 0.00 C ATOM 1402 C CYS A 87 104.335 -6.443 7.354 1.00 0.00 C ATOM 1403 O CYS A 87 105.509 -6.345 7.711 1.00 0.00 O ATOM 1404 CB CYS A 87 104.441 -5.511 5.044 1.00 0.00 C ATOM 1405 SG CYS A 87 103.852 -6.955 4.124 1.00 0.00 S ATOM 0 H CYS A 87 104.425 -3.455 6.401 1.00 0.00 H new ATOM 0 HA CYS A 87 102.667 -5.687 6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.260 -4.602 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.518 -5.580 5.200 1.00 0.00 H new ATOM 0 HG CYS A 87 104.464 -7.019 2.979 1.00 0.00 H new ATOM 1411 N GLN A 88 103.529 -7.421 7.760 1.00 0.00 N ATOM 1412 CA GLN A 88 103.991 -8.463 8.672 1.00 0.00 C ATOM 1413 C GLN A 88 104.445 -9.687 7.882 1.00 0.00 C ATOM 1414 O GLN A 88 105.385 -10.377 8.275 1.00 0.00 O ATOM 1415 CB GLN A 88 102.863 -8.862 9.626 1.00 0.00 C ATOM 1416 CG GLN A 88 102.151 -7.608 10.128 1.00 0.00 C ATOM 1417 CD GLN A 88 103.153 -6.675 10.802 1.00 0.00 C ATOM 1418 OE1 GLN A 88 103.703 -5.714 10.111 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 103.443 -6.828 11.988 1.00 0.00 N flip ATOM 0 H GLN A 88 102.555 -7.513 7.472 1.00 0.00 H new ATOM 0 HA GLN A 88 104.831 -8.075 9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.155 -9.515 9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.267 -9.425 10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.668 -7.096 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.366 -7.883 10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 88 103.012 -7.580 12.526 1.00 0.00 H new ATOM 0 HE22 GLN A 88 104.115 -6.203 12.434 1.00 0.00 H new ATOM 1428 N HIS A 89 103.773 -9.944 6.762 1.00 0.00 N ATOM 1429 CA HIS A 89 104.121 -11.082 5.921 1.00 0.00 C ATOM 1430 C HIS A 89 103.539 -10.896 4.523 1.00 0.00 C ATOM 1431 O HIS A 89 102.437 -10.384 4.364 1.00 0.00 O ATOM 1432 CB HIS A 89 103.596 -12.380 6.557 1.00 0.00 C ATOM 1433 CG HIS A 89 102.602 -13.047 5.640 1.00 0.00 C ATOM 1434 ND1 HIS A 89 102.956 -13.525 4.388 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.263 -13.316 5.780 1.00 0.00 C ATOM 1436 CE1 HIS A 89 101.852 -14.052 3.827 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.791 -13.952 4.633 1.00 0.00 N ATOM 0 H HIS A 89 102.992 -9.384 6.420 1.00 0.00 H new ATOM 0 HA HIS A 89 105.206 -11.148 5.837 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.427 -13.057 6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.126 -12.159 7.515 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.666 -13.072 6.647 1.00 0.00 H new ATOM 0 HE1 HIS A 89 101.827 -14.501 2.845 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.840 -14.272 4.449 1.00 0.00 H new ATOM 1445 N ILE A 90 104.299 -11.297 3.518 1.00 0.00 N ATOM 1446 CA ILE A 90 103.876 -11.160 2.128 1.00 0.00 C ATOM 1447 C ILE A 90 104.348 -12.362 1.319 1.00 0.00 C ATOM 1448 O ILE A 90 105.455 -12.865 1.512 1.00 0.00 O ATOM 1449 CB ILE A 90 104.447 -9.862 1.555 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.189 -9.797 0.046 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.951 -9.807 1.834 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.641 -8.435 -0.486 1.00 0.00 C ATOM 0 H ILE A 90 105.218 -11.723 3.637 1.00 0.00 H new ATOM 0 HA ILE A 90 102.788 -11.122 2.076 1.00 0.00 H new ATOM 0 HB ILE A 90 103.959 -9.010 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.729 -10.596 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.129 -9.947 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.363 -8.883 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.123 -9.838 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.440 -10.660 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.459 -8.385 -1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 90 104.081 -7.645 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.706 -8.304 -0.292 1.00 0.00 H new ATOM 1464 N ASP A 91 103.472 -12.837 0.431 1.00 0.00 N ATOM 1465 CA ASP A 91 103.777 -14.009 -0.388 1.00 0.00 C ATOM 1466 C ASP A 91 105.051 -13.818 -1.212 1.00 0.00 C ATOM 1467 O ASP A 91 105.339 -12.726 -1.701 1.00 0.00 O ATOM 1468 CB ASP A 91 102.598 -14.319 -1.316 1.00 0.00 C ATOM 1469 CG ASP A 91 101.461 -14.953 -0.522 1.00 0.00 C ATOM 1470 OD1 ASP A 91 100.823 -14.240 0.234 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.243 -16.143 -0.684 1.00 0.00 O ATOM 0 H ASP A 91 102.552 -12.430 0.262 1.00 0.00 H new ATOM 0 HA ASP A 91 103.945 -14.847 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 91 102.251 -13.403 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.918 -14.993 -2.111 1.00 0.00 H new ATOM 1476 N LEU A 92 105.811 -14.903 -1.341 1.00 0.00 N ATOM 1477 CA LEU A 92 107.066 -14.868 -2.089 1.00 0.00 C ATOM 1478 C LEU A 92 106.833 -14.326 -3.497 1.00 0.00 C ATOM 1479 O LEU A 92 107.614 -13.519 -4.000 1.00 0.00 O ATOM 1480 CB LEU A 92 107.665 -16.278 -2.170 1.00 0.00 C ATOM 1481 CG LEU A 92 109.183 -16.188 -2.386 1.00 0.00 C ATOM 1482 CD1 LEU A 92 109.893 -16.109 -1.031 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.669 -17.430 -3.144 1.00 0.00 C ATOM 0 H LEU A 92 105.582 -15.812 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 92 107.762 -14.209 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.451 -16.827 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.204 -16.832 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 92 109.411 -15.294 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 92 110.970 -16.045 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.552 -15.225 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.663 -17.001 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.746 -17.365 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.438 -18.324 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.168 -17.485 -4.111 1.00 0.00 H new ATOM 1495 N ASP A 93 105.746 -14.764 -4.123 1.00 0.00 N ATOM 1496 CA ASP A 93 105.414 -14.303 -5.464 1.00 0.00 C ATOM 1497 C ASP A 93 105.057 -12.823 -5.418 1.00 0.00 C ATOM 1498 O ASP A 93 105.425 -12.053 -6.305 1.00 0.00 O ATOM 1499 CB ASP A 93 104.230 -15.102 -6.017 1.00 0.00 C ATOM 1500 CG ASP A 93 103.119 -15.179 -4.975 1.00 0.00 C ATOM 1501 OD1 ASP A 93 102.625 -14.133 -4.587 1.00 0.00 O ATOM 1502 OD2 ASP A 93 102.780 -16.282 -4.581 1.00 0.00 O ATOM 0 H ASP A 93 105.085 -15.432 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 93 106.275 -14.450 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.855 -14.630 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.554 -16.106 -6.290 1.00 0.00 H new ATOM 1507 N SER A 94 104.346 -12.437 -4.364 1.00 0.00 N ATOM 1508 CA SER A 94 103.948 -11.048 -4.183 1.00 0.00 C ATOM 1509 C SER A 94 105.172 -10.178 -3.949 1.00 0.00 C ATOM 1510 O SER A 94 105.241 -9.040 -4.415 1.00 0.00 O ATOM 1511 CB SER A 94 103.013 -10.931 -2.983 1.00 0.00 C ATOM 1512 OG SER A 94 102.964 -9.577 -2.562 1.00 0.00 O ATOM 0 H SER A 94 104.035 -13.066 -3.624 1.00 0.00 H new ATOM 0 HA SER A 94 103.434 -10.712 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 94 102.015 -11.278 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.365 -11.565 -2.169 1.00 0.00 H new ATOM 0 HG SER A 94 102.209 -9.452 -1.950 1.00 0.00 H new ATOM 1518 N ILE A 95 106.140 -10.725 -3.224 1.00 0.00 N ATOM 1519 CA ILE A 95 107.363 -9.995 -2.930 1.00 0.00 C ATOM 1520 C ILE A 95 108.056 -9.593 -4.222 1.00 0.00 C ATOM 1521 O ILE A 95 108.628 -8.507 -4.319 1.00 0.00 O ATOM 1522 CB ILE A 95 108.315 -10.867 -2.095 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.814 -10.925 -0.650 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.726 -10.267 -2.125 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.692 -11.873 0.177 1.00 0.00 C ATOM 0 H ILE A 95 106.101 -11.666 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 95 107.103 -9.100 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 95 108.344 -11.874 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.830 -9.927 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.779 -11.266 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.398 -10.888 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.082 -10.227 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.702 -9.259 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.326 -11.906 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.654 -12.873 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.721 -11.514 0.171 1.00 0.00 H new ATOM 1537 N SER A 96 108.020 -10.482 -5.209 1.00 0.00 N ATOM 1538 CA SER A 96 108.673 -10.199 -6.477 1.00 0.00 C ATOM 1539 C SER A 96 107.925 -9.122 -7.254 1.00 0.00 C ATOM 1540 O SER A 96 108.545 -8.236 -7.842 1.00 0.00 O ATOM 1541 CB SER A 96 108.796 -11.467 -7.315 1.00 0.00 C ATOM 1542 OG SER A 96 110.125 -11.588 -7.803 1.00 0.00 O ATOM 0 H SER A 96 107.554 -11.388 -5.156 1.00 0.00 H new ATOM 0 HA SER A 96 109.674 -9.827 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.538 -12.339 -6.714 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.093 -11.434 -8.148 1.00 0.00 H new ATOM 0 HG SER A 96 110.203 -12.404 -8.340 1.00 0.00 H new ATOM 1548 N HIS A 97 106.601 -9.180 -7.263 1.00 0.00 N ATOM 1549 CA HIS A 97 105.847 -8.170 -7.988 1.00 0.00 C ATOM 1550 C HIS A 97 106.131 -6.797 -7.383 1.00 0.00 C ATOM 1551 O HIS A 97 106.231 -5.803 -8.099 1.00 0.00 O ATOM 1552 CB HIS A 97 104.352 -8.474 -7.952 1.00 0.00 C ATOM 1553 CG HIS A 97 104.009 -9.514 -8.980 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.800 -9.190 -10.311 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.813 -10.869 -8.888 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.491 -10.325 -10.961 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.487 -11.380 -10.142 1.00 0.00 N ATOM 0 H HIS A 97 106.042 -9.892 -6.793 1.00 0.00 H new ATOM 0 HA HIS A 97 106.160 -8.176 -9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.069 -8.826 -6.960 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.784 -7.563 -8.142 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.898 -11.450 -7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.272 -10.378 -12.017 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.288 -12.351 -10.383 1.00 0.00 H new ATOM 1565 N LEU A 98 106.308 -6.758 -6.070 1.00 0.00 N ATOM 1566 CA LEU A 98 106.639 -5.511 -5.390 1.00 0.00 C ATOM 1567 C LEU A 98 108.043 -5.067 -5.806 1.00 0.00 C ATOM 1568 O LEU A 98 108.303 -3.871 -5.935 1.00 0.00 O ATOM 1569 CB LEU A 98 106.556 -5.684 -3.868 1.00 0.00 C ATOM 1570 CG LEU A 98 105.233 -5.113 -3.349 1.00 0.00 C ATOM 1571 CD1 LEU A 98 104.066 -5.904 -3.945 1.00 0.00 C ATOM 1572 CD2 LEU A 98 105.194 -5.222 -1.824 1.00 0.00 C ATOM 0 H LEU A 98 106.229 -7.569 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 98 105.919 -4.745 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 98 106.633 -6.740 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 98 107.394 -5.177 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 98 105.150 -4.066 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 98 103.125 -5.497 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 98 104.092 -5.828 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 98 104.149 -6.951 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 98 104.253 -4.816 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 98 105.277 -6.269 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 98 106.024 -4.659 -1.398 1.00 0.00 H new ATOM 1584 N ARG A 99 108.936 -6.022 -6.044 1.00 0.00 N ATOM 1585 CA ARG A 99 110.289 -5.677 -6.477 1.00 0.00 C ATOM 1586 C ARG A 99 110.225 -5.000 -7.847 1.00 0.00 C ATOM 1587 O ARG A 99 110.950 -4.044 -8.117 1.00 0.00 O ATOM 1588 CB ARG A 99 111.158 -6.938 -6.554 1.00 0.00 C ATOM 1589 CG ARG A 99 111.819 -7.199 -5.193 1.00 0.00 C ATOM 1590 CD ARG A 99 112.192 -8.684 -5.054 1.00 0.00 C ATOM 1591 NE ARG A 99 113.605 -8.818 -4.706 1.00 0.00 N ATOM 1592 CZ ARG A 99 114.531 -9.049 -5.634 1.00 0.00 C ATOM 1593 NH1 ARG A 99 114.193 -9.153 -6.891 1.00 0.00 N ATOM 1594 NH2 ARG A 99 115.784 -9.170 -5.286 1.00 0.00 N ATOM 0 H ARG A 99 108.755 -7.021 -5.948 1.00 0.00 H new ATOM 0 HA ARG A 99 110.734 -4.993 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.548 -7.794 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 99 111.922 -6.818 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.712 -6.582 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 99 111.140 -6.912 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 99 111.575 -9.151 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.989 -9.207 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 99 113.888 -8.733 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 99 113.215 -9.057 -7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 99 114.907 -9.330 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 99 116.051 -9.087 -4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 99 116.495 -9.347 -5.995 1.00 0.00 H new ATOM 1608 N ARG A 100 109.332 -5.503 -8.697 1.00 0.00 N ATOM 1609 CA ARG A 100 109.144 -4.948 -10.035 1.00 0.00 C ATOM 1610 C ARG A 100 108.771 -3.471 -9.965 1.00 0.00 C ATOM 1611 O ARG A 100 109.203 -2.671 -10.791 1.00 0.00 O ATOM 1612 CB ARG A 100 108.024 -5.703 -10.754 1.00 0.00 C ATOM 1613 CG ARG A 100 108.512 -7.104 -11.132 1.00 0.00 C ATOM 1614 CD ARG A 100 107.432 -7.822 -11.944 1.00 0.00 C ATOM 1615 NE ARG A 100 106.924 -6.950 -12.996 1.00 0.00 N ATOM 1616 CZ ARG A 100 107.658 -6.666 -14.066 1.00 0.00 C ATOM 1617 NH1 ARG A 100 108.859 -7.162 -14.184 1.00 0.00 N ATOM 1618 NH2 ARG A 100 107.179 -5.889 -14.999 1.00 0.00 N ATOM 0 H ARG A 100 108.727 -6.295 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 100 110.082 -5.053 -10.580 1.00 0.00 H new ATOM 0 HB2 ARG A 100 107.147 -5.773 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 100 107.720 -5.159 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 100 109.432 -7.035 -11.712 1.00 0.00 H new ATOM 0 HG3 ARG A 100 108.744 -7.674 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 100 107.842 -8.731 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 100 106.616 -8.125 -11.288 1.00 0.00 H new ATOM 0 HE ARG A 100 105.989 -6.551 -12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 100 109.234 -7.768 -13.454 1.00 0.00 H new ATOM 0 HH12 ARG A 100 109.422 -6.944 -15.006 1.00 0.00 H new ATOM 0 HH21 ARG A 100 106.241 -5.500 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 100 107.743 -5.671 -15.821 1.00 0.00 H new ATOM 1632 N LEU A 101 107.959 -3.117 -8.974 1.00 0.00 N ATOM 1633 CA LEU A 101 107.532 -1.732 -8.817 1.00 0.00 C ATOM 1634 C LEU A 101 108.707 -0.868 -8.369 1.00 0.00 C ATOM 1635 O LEU A 101 108.834 0.282 -8.782 1.00 0.00 O ATOM 1636 CB LEU A 101 106.382 -1.640 -7.799 1.00 0.00 C ATOM 1637 CG LEU A 101 105.031 -1.759 -8.516 1.00 0.00 C ATOM 1638 CD1 LEU A 101 105.050 -2.951 -9.479 1.00 0.00 C ATOM 1639 CD2 LEU A 101 103.926 -1.963 -7.475 1.00 0.00 C ATOM 0 H LEU A 101 107.588 -3.761 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 101 107.174 -1.364 -9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.479 -2.432 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 101 106.436 -0.692 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 101 104.843 -0.847 -9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 101 104.087 -3.027 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 101 105.837 -2.808 -10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 101 105.240 -3.867 -8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 101 102.963 -2.048 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 101 104.122 -2.874 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 101 103.905 -1.112 -6.795 1.00 0.00 H new ATOM 1651 N VAL A 102 109.566 -1.434 -7.531 1.00 0.00 N ATOM 1652 CA VAL A 102 110.730 -0.706 -7.040 1.00 0.00 C ATOM 1653 C VAL A 102 111.736 -0.463 -8.165 1.00 0.00 C ATOM 1654 O VAL A 102 112.330 0.610 -8.255 1.00 0.00 O ATOM 1655 CB VAL A 102 111.400 -1.500 -5.919 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.636 -0.747 -5.424 1.00 0.00 C ATOM 1657 CG2 VAL A 102 110.414 -1.674 -4.761 1.00 0.00 C ATOM 0 H VAL A 102 109.481 -2.388 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 102 110.395 0.259 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 102 111.699 -2.478 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 102 113.112 -1.315 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 102 113.339 -0.620 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 102 112.339 0.231 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.890 -2.240 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 102 110.117 -0.695 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 102 109.533 -2.211 -5.111 1.00 0.00 H new ATOM 1667 N GLU A 103 111.931 -1.472 -9.009 1.00 0.00 N ATOM 1668 CA GLU A 103 112.880 -1.361 -10.113 1.00 0.00 C ATOM 1669 C GLU A 103 112.440 -0.302 -11.124 1.00 0.00 C ATOM 1670 O GLU A 103 113.238 0.538 -11.539 1.00 0.00 O ATOM 1671 CB GLU A 103 113.023 -2.718 -10.813 1.00 0.00 C ATOM 1672 CG GLU A 103 114.415 -2.835 -11.441 1.00 0.00 C ATOM 1673 CD GLU A 103 114.567 -4.188 -12.124 1.00 0.00 C ATOM 1674 OE1 GLU A 103 113.862 -4.425 -13.090 1.00 0.00 O ATOM 1675 OE2 GLU A 103 115.387 -4.970 -11.670 1.00 0.00 O ATOM 0 H GLU A 103 111.449 -2.369 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 103 113.842 -1.056 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 103 112.868 -3.525 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 103 112.257 -2.823 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 103 114.565 -2.034 -12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 103 115.180 -2.718 -10.674 1.00 0.00 H new ATOM 1682 N LEU A 104 111.173 -0.351 -11.524 1.00 0.00 N ATOM 1683 CA LEU A 104 110.653 0.610 -12.493 1.00 0.00 C ATOM 1684 C LEU A 104 110.562 2.010 -11.895 1.00 0.00 C ATOM 1685 O LEU A 104 110.919 2.990 -12.549 1.00 0.00 O ATOM 1686 CB LEU A 104 109.269 0.167 -12.984 1.00 0.00 C ATOM 1687 CG LEU A 104 109.408 -0.905 -14.075 1.00 0.00 C ATOM 1688 CD1 LEU A 104 110.457 -1.949 -13.674 1.00 0.00 C ATOM 1689 CD2 LEU A 104 108.059 -1.598 -14.279 1.00 0.00 C ATOM 0 H LEU A 104 110.493 -1.038 -11.197 1.00 0.00 H new ATOM 0 HA LEU A 104 111.346 0.643 -13.334 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.689 -0.227 -12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.723 1.025 -13.375 1.00 0.00 H new ATOM 0 HG LEU A 104 109.726 -0.424 -15.000 1.00 0.00 H new ATOM 0 HD11 LEU A 104 110.541 -2.700 -14.459 1.00 0.00 H new ATOM 0 HD12 LEU A 104 111.421 -1.461 -13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 104 110.155 -2.429 -12.743 1.00 0.00 H new ATOM 0 HD21 LEU A 104 108.155 -2.360 -15.053 1.00 0.00 H new ATOM 0 HD22 LEU A 104 107.746 -2.066 -13.346 1.00 0.00 H new ATOM 0 HD23 LEU A 104 107.314 -0.862 -14.584 1.00 0.00 H new ATOM 1701 N ASN A 105 110.084 2.110 -10.659 1.00 0.00 N ATOM 1702 CA ASN A 105 109.958 3.411 -10.013 1.00 0.00 C ATOM 1703 C ASN A 105 111.326 4.069 -9.860 1.00 0.00 C ATOM 1704 O ASN A 105 111.432 5.295 -9.806 1.00 0.00 O ATOM 1705 CB ASN A 105 109.303 3.255 -8.636 1.00 0.00 C ATOM 1706 CG ASN A 105 107.786 3.174 -8.785 1.00 0.00 C ATOM 1707 OD1 ASN A 105 107.097 4.189 -8.686 1.00 0.00 O ATOM 1708 ND2 ASN A 105 107.222 2.020 -9.020 1.00 0.00 N ATOM 0 H ASN A 105 109.781 1.318 -10.092 1.00 0.00 H new ATOM 0 HA ASN A 105 109.331 4.046 -10.640 1.00 0.00 H new ATOM 0 HB2 ASN A 105 109.677 2.356 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 105 109.570 4.099 -8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 105 106.209 1.959 -9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 105 107.794 1.180 -9.102 1.00 0.00 H new ATOM 1715 N LEU A 106 112.371 3.252 -9.795 1.00 0.00 N ATOM 1716 CA LEU A 106 113.723 3.778 -9.653 1.00 0.00 C ATOM 1717 C LEU A 106 114.023 4.758 -10.782 1.00 0.00 C ATOM 1718 O LEU A 106 114.942 5.572 -10.685 1.00 0.00 O ATOM 1719 CB LEU A 106 114.741 2.629 -9.673 1.00 0.00 C ATOM 1720 CG LEU A 106 115.971 3.007 -8.834 1.00 0.00 C ATOM 1721 CD1 LEU A 106 115.728 2.643 -7.366 1.00 0.00 C ATOM 1722 CD2 LEU A 106 117.197 2.244 -9.345 1.00 0.00 C ATOM 0 H LEU A 106 112.310 2.235 -9.838 1.00 0.00 H new ATOM 0 HA LEU A 106 113.799 4.301 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 106 114.286 1.721 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 106 115.041 2.415 -10.699 1.00 0.00 H new ATOM 0 HG LEU A 106 116.145 4.080 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 106 116.603 2.913 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.858 3.186 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 106 115.550 1.571 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 106 118.068 2.514 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 106 117.019 1.172 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 106 117.378 2.503 -10.388 1.00 0.00 H new ATOM 1734 N GLY A 107 113.238 4.673 -11.855 1.00 0.00 N ATOM 1735 CA GLY A 107 113.420 5.556 -13.004 1.00 0.00 C ATOM 1736 C GLY A 107 112.088 6.160 -13.440 1.00 0.00 C ATOM 1737 O GLY A 107 111.029 5.769 -12.953 1.00 0.00 O ATOM 0 H GLY A 107 112.474 4.005 -11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 107 114.119 6.352 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 107 113.860 4.998 -13.831 1.00 0.00 H new ATOM 1741 N ASP A 108 112.151 7.119 -14.363 1.00 0.00 N ATOM 1742 CA ASP A 108 110.942 7.774 -14.859 1.00 0.00 C ATOM 1743 C ASP A 108 110.987 7.903 -16.379 1.00 0.00 C ATOM 1744 O ASP A 108 110.074 7.458 -17.075 1.00 0.00 O ATOM 1745 CB ASP A 108 110.805 9.161 -14.229 1.00 0.00 C ATOM 1746 CG ASP A 108 111.926 10.071 -14.720 1.00 0.00 C ATOM 1747 OD1 ASP A 108 112.969 10.088 -14.086 1.00 0.00 O ATOM 1748 OD2 ASP A 108 111.726 10.736 -15.722 1.00 0.00 O ATOM 0 H ASP A 108 113.019 7.457 -14.779 1.00 0.00 H new ATOM 0 HA ASP A 108 110.081 7.164 -14.584 1.00 0.00 H new ATOM 0 HB2 ASP A 108 109.837 9.592 -14.486 1.00 0.00 H new ATOM 0 HB3 ASP A 108 110.840 9.081 -13.143 1.00 0.00 H new ATOM 1753 N GLU A 109 112.054 8.511 -16.889 1.00 0.00 N ATOM 1754 CA GLU A 109 112.197 8.687 -18.331 1.00 0.00 C ATOM 1755 C GLU A 109 113.597 9.181 -18.684 1.00 0.00 C ATOM 1756 O GLU A 109 114.146 8.821 -19.726 1.00 0.00 O ATOM 1757 CB GLU A 109 111.155 9.686 -18.841 1.00 0.00 C ATOM 1758 CG GLU A 109 111.060 9.603 -20.369 1.00 0.00 C ATOM 1759 CD GLU A 109 110.136 8.460 -20.779 1.00 0.00 C ATOM 1760 OE1 GLU A 109 110.424 7.331 -20.418 1.00 0.00 O ATOM 1761 OE2 GLU A 109 109.153 8.731 -21.449 1.00 0.00 O ATOM 0 H GLU A 109 112.823 8.886 -16.334 1.00 0.00 H new ATOM 0 HA GLU A 109 112.040 7.720 -18.809 1.00 0.00 H new ATOM 0 HB2 GLU A 109 110.184 9.472 -18.395 1.00 0.00 H new ATOM 0 HB3 GLU A 109 111.429 10.697 -18.539 1.00 0.00 H new ATOM 0 HG2 GLU A 109 110.685 10.545 -20.769 1.00 0.00 H new ATOM 0 HG3 GLU A 109 112.052 9.449 -20.794 1.00 0.00 H new ATOM 1768 N GLU A 110 114.174 10.008 -17.814 1.00 0.00 N ATOM 1769 CA GLU A 110 115.513 10.541 -18.054 1.00 0.00 C ATOM 1770 C GLU A 110 116.281 10.680 -16.742 1.00 0.00 C ATOM 1771 O GLU A 110 116.251 9.783 -15.900 1.00 0.00 O ATOM 1772 CB GLU A 110 115.416 11.903 -18.751 1.00 0.00 C ATOM 1773 CG GLU A 110 114.672 12.906 -17.851 1.00 0.00 C ATOM 1774 CD GLU A 110 113.435 13.442 -18.568 1.00 0.00 C ATOM 1775 OE1 GLU A 110 113.602 14.224 -19.489 1.00 0.00 O ATOM 1776 OE2 GLU A 110 112.341 13.061 -18.184 1.00 0.00 O ATOM 0 H GLU A 110 113.740 10.321 -16.945 1.00 0.00 H new ATOM 0 HA GLU A 110 116.052 9.846 -18.698 1.00 0.00 H new ATOM 0 HB2 GLU A 110 116.415 12.277 -18.977 1.00 0.00 H new ATOM 0 HB3 GLU A 110 114.893 11.797 -19.701 1.00 0.00 H new ATOM 0 HG2 GLU A 110 114.380 12.422 -16.919 1.00 0.00 H new ATOM 0 HG3 GLU A 110 115.335 13.731 -17.588 1.00 0.00 H new ATOM 1783 N LEU A 111 116.974 11.804 -16.572 1.00 0.00 N ATOM 1784 CA LEU A 111 117.750 12.035 -15.354 1.00 0.00 C ATOM 1785 C LEU A 111 116.970 12.900 -14.365 1.00 0.00 C ATOM 1786 O LEU A 111 116.172 12.388 -13.580 1.00 0.00 O ATOM 1787 CB LEU A 111 119.081 12.711 -15.705 1.00 0.00 C ATOM 1788 CG LEU A 111 119.764 11.944 -16.850 1.00 0.00 C ATOM 1789 CD1 LEU A 111 119.513 12.666 -18.179 1.00 0.00 C ATOM 1790 CD2 LEU A 111 121.274 11.869 -16.593 1.00 0.00 C ATOM 0 H LEU A 111 117.015 12.562 -17.253 1.00 0.00 H new ATOM 0 HA LEU A 111 117.946 11.072 -14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.908 13.746 -16.000 1.00 0.00 H new ATOM 0 HB3 LEU A 111 119.731 12.733 -14.830 1.00 0.00 H new ATOM 0 HG LEU A 111 119.351 10.936 -16.899 1.00 0.00 H new ATOM 0 HD11 LEU A 111 119.999 12.119 -18.987 1.00 0.00 H new ATOM 0 HD12 LEU A 111 118.441 12.717 -18.368 1.00 0.00 H new ATOM 0 HD13 LEU A 111 119.921 13.675 -18.127 1.00 0.00 H new ATOM 0 HD21 LEU A 111 121.755 11.325 -17.406 1.00 0.00 H new ATOM 0 HD22 LEU A 111 121.684 12.877 -16.539 1.00 0.00 H new ATOM 0 HD23 LEU A 111 121.458 11.351 -15.652 1.00 0.00 H new ATOM 1802 N LEU A 112 117.207 14.209 -14.402 1.00 0.00 N ATOM 1803 CA LEU A 112 116.519 15.125 -13.498 1.00 0.00 C ATOM 1804 C LEU A 112 116.959 14.886 -12.056 1.00 0.00 C ATOM 1805 O LEU A 112 116.975 13.749 -11.583 1.00 0.00 O ATOM 1806 CB LEU A 112 115.001 14.935 -13.610 1.00 0.00 C ATOM 1807 CG LEU A 112 114.280 16.205 -13.131 1.00 0.00 C ATOM 1808 CD1 LEU A 112 114.034 17.137 -14.321 1.00 0.00 C ATOM 1809 CD2 LEU A 112 112.938 15.826 -12.497 1.00 0.00 C ATOM 0 H LEU A 112 117.864 14.655 -15.042 1.00 0.00 H new ATOM 0 HA LEU A 112 116.777 16.145 -13.781 1.00 0.00 H new ATOM 0 HB2 LEU A 112 114.728 14.718 -14.643 1.00 0.00 H new ATOM 0 HB3 LEU A 112 114.687 14.080 -13.011 1.00 0.00 H new ATOM 0 HG LEU A 112 114.901 16.714 -12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 112 113.523 18.037 -13.979 1.00 0.00 H new ATOM 0 HD12 LEU A 112 114.988 17.411 -14.772 1.00 0.00 H new ATOM 0 HD13 LEU A 112 113.416 16.628 -15.060 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.428 16.728 -12.158 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.319 15.315 -13.234 1.00 0.00 H new ATOM 0 HD23 LEU A 112 113.111 15.166 -11.647 1.00 0.00 H new ATOM 1821 N GLU A 113 117.312 15.963 -11.360 1.00 0.00 N ATOM 1822 CA GLU A 113 117.748 15.854 -9.972 1.00 0.00 C ATOM 1823 C GLU A 113 116.604 15.368 -9.087 1.00 0.00 C ATOM 1824 O GLU A 113 115.542 15.988 -9.031 1.00 0.00 O ATOM 1825 CB GLU A 113 118.248 17.212 -9.468 1.00 0.00 C ATOM 1826 CG GLU A 113 117.071 18.184 -9.335 1.00 0.00 C ATOM 1827 CD GLU A 113 117.583 19.620 -9.276 1.00 0.00 C ATOM 1828 OE1 GLU A 113 118.290 20.014 -10.189 1.00 0.00 O ATOM 1829 OE2 GLU A 113 117.259 20.304 -8.320 1.00 0.00 O ATOM 0 H GLU A 113 117.305 16.913 -11.731 1.00 0.00 H new ATOM 0 HA GLU A 113 118.562 15.130 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 113 118.743 17.092 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 113 118.988 17.616 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 113 116.394 18.065 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 113 116.500 17.956 -8.435 1.00 0.00 H new ATOM 1836 N ARG A 114 116.828 14.252 -8.401 1.00 0.00 N ATOM 1837 CA ARG A 114 115.811 13.685 -7.521 1.00 0.00 C ATOM 1838 C ARG A 114 116.373 12.484 -6.765 1.00 0.00 C ATOM 1839 O ARG A 114 115.724 11.444 -6.662 1.00 0.00 O ATOM 1840 CB ARG A 114 114.588 13.254 -8.341 1.00 0.00 C ATOM 1841 CG ARG A 114 113.336 13.281 -7.457 1.00 0.00 C ATOM 1842 CD ARG A 114 112.152 12.671 -8.214 1.00 0.00 C ATOM 1843 NE ARG A 114 111.544 13.665 -9.092 1.00 0.00 N ATOM 1844 CZ ARG A 114 110.294 13.529 -9.521 1.00 0.00 C ATOM 1845 NH1 ARG A 114 109.588 12.495 -9.151 1.00 0.00 N ATOM 1846 NH2 ARG A 114 109.771 14.427 -10.311 1.00 0.00 N ATOM 0 H ARG A 114 117.700 13.724 -8.437 1.00 0.00 H new ATOM 0 HA ARG A 114 115.511 14.446 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 114 114.457 13.920 -9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 114 114.741 12.251 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 114 113.517 12.724 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 114 113.105 14.307 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 114 112.488 11.816 -8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 114 111.411 12.300 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 114 112.088 14.478 -9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 114 109.996 11.793 -8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 114 108.628 12.389 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 114 110.322 15.235 -10.600 1.00 0.00 H new ATOM 0 HH22 ARG A 114 108.811 14.321 -10.639 1.00 0.00 H new ATOM 1860 N GLU A 115 117.584 12.637 -6.238 1.00 0.00 N ATOM 1861 CA GLU A 115 118.226 11.557 -5.495 1.00 0.00 C ATOM 1862 C GLU A 115 119.166 12.120 -4.433 1.00 0.00 C ATOM 1863 O GLU A 115 119.042 11.805 -3.250 1.00 0.00 O ATOM 1864 CB GLU A 115 119.012 10.660 -6.456 1.00 0.00 C ATOM 1865 CG GLU A 115 119.229 9.285 -5.819 1.00 0.00 C ATOM 1866 CD GLU A 115 120.112 9.416 -4.581 1.00 0.00 C ATOM 1867 OE1 GLU A 115 121.307 9.587 -4.746 1.00 0.00 O ATOM 1868 OE2 GLU A 115 119.577 9.343 -3.488 1.00 0.00 O ATOM 0 H GLU A 115 118.137 13.491 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 115 117.452 10.970 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 115 118.470 10.554 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 115 119.973 11.118 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 115 118.269 8.846 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 115 119.695 8.611 -6.538 1.00 0.00 H new ATOM 1875 N LEU A 116 120.110 12.949 -4.865 1.00 0.00 N ATOM 1876 CA LEU A 116 121.067 13.546 -3.942 1.00 0.00 C ATOM 1877 C LEU A 116 120.370 14.516 -2.991 1.00 0.00 C ATOM 1878 O LEU A 116 120.735 14.618 -1.822 1.00 0.00 O ATOM 1879 CB LEU A 116 122.159 14.285 -4.720 1.00 0.00 C ATOM 1880 CG LEU A 116 123.196 14.861 -3.738 1.00 0.00 C ATOM 1881 CD1 LEU A 116 124.603 14.400 -4.131 1.00 0.00 C ATOM 1882 CD2 LEU A 116 123.143 16.393 -3.767 1.00 0.00 C ATOM 0 H LEU A 116 120.232 13.221 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 116 121.519 12.746 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.645 13.604 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 116 121.718 15.088 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 116 122.965 14.505 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 116 125.330 14.812 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 116 124.650 13.311 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 116 124.832 14.748 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 116 123.878 16.796 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 116 123.366 16.746 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 116 122.147 16.728 -3.477 1.00 0.00 H new ATOM 1894 N ALA A 117 119.381 15.244 -3.499 1.00 0.00 N ATOM 1895 CA ALA A 117 118.666 16.213 -2.675 1.00 0.00 C ATOM 1896 C ALA A 117 117.928 15.502 -1.541 1.00 0.00 C ATOM 1897 O ALA A 117 117.640 16.092 -0.500 1.00 0.00 O ATOM 1898 CB ALA A 117 117.693 17.042 -3.513 1.00 0.00 C ATOM 0 H ALA A 117 119.059 15.184 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 117 119.398 16.896 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 117 117.176 17.755 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 117 118.244 17.581 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 117 116.964 16.382 -3.983 1.00 0.00 H new ATOM 1904 N LEU A 118 117.662 14.217 -1.755 1.00 0.00 N ATOM 1905 CA LEU A 118 116.994 13.411 -0.738 1.00 0.00 C ATOM 1906 C LEU A 118 117.828 13.465 0.535 1.00 0.00 C ATOM 1907 O LEU A 118 117.302 13.492 1.648 1.00 0.00 O ATOM 1908 CB LEU A 118 116.847 11.960 -1.204 1.00 0.00 C ATOM 1909 CG LEU A 118 116.167 11.919 -2.574 1.00 0.00 C ATOM 1910 CD1 LEU A 118 115.932 10.462 -2.980 1.00 0.00 C ATOM 1911 CD2 LEU A 118 114.823 12.651 -2.505 1.00 0.00 C ATOM 0 H LEU A 118 117.895 13.716 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 118 115.995 13.807 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 118 117.827 11.486 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 118 116.260 11.394 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 118 116.806 12.407 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 118 115.448 10.430 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 118 116.888 9.940 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 118 115.293 9.977 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 118 114.341 12.620 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 118 114.182 12.166 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 118 114.988 13.689 -2.215 1.00 0.00 H new ATOM 1923 N LEU A 119 119.140 13.497 0.343 1.00 0.00 N ATOM 1924 CA LEU A 119 120.062 13.570 1.467 1.00 0.00 C ATOM 1925 C LEU A 119 119.732 14.822 2.275 1.00 0.00 C ATOM 1926 O LEU A 119 119.562 14.762 3.492 1.00 0.00 O ATOM 1927 CB LEU A 119 121.501 13.613 0.954 1.00 0.00 C ATOM 1928 CG LEU A 119 121.703 12.483 -0.063 1.00 0.00 C ATOM 1929 CD1 LEU A 119 123.154 12.473 -0.541 1.00 0.00 C ATOM 1930 CD2 LEU A 119 121.378 11.138 0.590 1.00 0.00 C ATOM 0 H LEU A 119 119.587 13.474 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 119 119.961 12.691 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 119 121.707 14.578 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 119 122.200 13.502 1.783 1.00 0.00 H new ATOM 0 HG LEU A 119 121.040 12.646 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 119 123.294 11.669 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 119 123.389 13.428 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 119 123.816 12.315 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 119 121.522 10.337 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 119 122.038 10.979 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 119 120.342 11.139 0.928 1.00 0.00 H new ATOM 1942 N VAL A 120 119.602 15.948 1.578 1.00 0.00 N ATOM 1943 CA VAL A 120 119.245 17.209 2.221 1.00 0.00 C ATOM 1944 C VAL A 120 117.898 17.076 2.927 1.00 0.00 C ATOM 1945 O VAL A 120 117.442 18.007 3.593 1.00 0.00 O ATOM 1946 CB VAL A 120 119.165 18.322 1.170 1.00 0.00 C ATOM 1947 CG1 VAL A 120 119.019 19.682 1.860 1.00 0.00 C ATOM 1948 CG2 VAL A 120 120.441 18.317 0.322 1.00 0.00 C ATOM 0 H VAL A 120 119.738 16.013 0.569 1.00 0.00 H new ATOM 0 HA VAL A 120 120.010 17.458 2.957 1.00 0.00 H new ATOM 0 HB VAL A 120 118.299 18.148 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 120 118.963 20.468 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 120 118.110 19.689 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 120 119.881 19.858 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 120 120.384 19.108 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 120 121.305 18.486 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 120 120.542 17.353 -0.177 1.00 0.00 H new ATOM 1958 N SER A 121 117.289 15.897 2.828 1.00 0.00 N ATOM 1959 CA SER A 121 116.025 15.643 3.515 1.00 0.00 C ATOM 1960 C SER A 121 116.272 14.629 4.626 1.00 0.00 C ATOM 1961 O SER A 121 115.756 14.758 5.737 1.00 0.00 O ATOM 1962 CB SER A 121 114.988 15.099 2.532 1.00 0.00 C ATOM 1963 OG SER A 121 115.088 13.682 2.481 1.00 0.00 O ATOM 0 H SER A 121 117.645 15.110 2.285 1.00 0.00 H new ATOM 0 HA SER A 121 115.642 16.572 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 121 113.986 15.393 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 121 115.152 15.523 1.541 1.00 0.00 H new ATOM 0 HG SER A 121 114.370 13.284 3.016 1.00 0.00 H new ATOM 1969 N ALA A 122 117.077 13.620 4.301 1.00 0.00 N ATOM 1970 CA ALA A 122 117.423 12.564 5.247 1.00 0.00 C ATOM 1971 C ALA A 122 118.939 12.393 5.294 1.00 0.00 C ATOM 1972 O ALA A 122 119.494 11.551 4.589 1.00 0.00 O ATOM 1973 CB ALA A 122 116.770 11.246 4.808 1.00 0.00 C ATOM 0 H ALA A 122 117.505 13.512 3.381 1.00 0.00 H new ATOM 0 HA ALA A 122 117.060 12.835 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 122 117.029 10.458 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 122 115.687 11.368 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 122 117.129 10.975 3.815 1.00 0.00 H new ATOM 1979 N HIS A 123 119.610 13.206 6.104 1.00 0.00 N ATOM 1980 CA HIS A 123 121.065 13.130 6.193 1.00 0.00 C ATOM 1981 C HIS A 123 121.502 12.037 7.169 1.00 0.00 C ATOM 1982 O HIS A 123 120.742 11.119 7.470 1.00 0.00 O ATOM 1983 CB HIS A 123 121.640 14.502 6.596 1.00 0.00 C ATOM 1984 CG HIS A 123 122.004 14.533 8.061 1.00 0.00 C ATOM 1985 ND1 HIS A 123 121.427 13.960 9.168 1.00 0.00 N flip ATOM 1986 CD2 HIS A 123 123.105 15.232 8.531 1.00 0.00 C flip ATOM 1987 CE1 HIS A 123 122.155 14.297 10.305 1.00 0.00 C flip ATOM 1988 NE2 HIS A 123 123.155 15.065 9.865 1.00 0.00 N flip ATOM 0 H HIS A 123 119.179 13.914 6.699 1.00 0.00 H new ATOM 0 HA HIS A 123 121.460 12.864 5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 123 122.523 14.720 5.995 1.00 0.00 H new ATOM 0 HB3 HIS A 123 120.909 15.282 6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 123 123.798 15.807 7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 123 121.954 14.001 11.324 1.00 0.00 H new ATOM 0 HE2 HIS A 123 123.869 15.475 10.467 1.00 0.00 H new ATOM 1996 N ASP A 124 122.734 12.155 7.656 1.00 0.00 N ATOM 1997 CA ASP A 124 123.293 11.190 8.599 1.00 0.00 C ATOM 1998 C ASP A 124 124.814 11.271 8.569 1.00 0.00 C ATOM 1999 O ASP A 124 125.481 11.056 9.582 1.00 0.00 O ATOM 2000 CB ASP A 124 122.845 9.765 8.252 1.00 0.00 C ATOM 2001 CG ASP A 124 122.771 9.589 6.738 1.00 0.00 C ATOM 2002 OD1 ASP A 124 123.795 9.743 6.093 1.00 0.00 O ATOM 2003 OD2 ASP A 124 121.691 9.306 6.247 1.00 0.00 O ATOM 0 H ASP A 124 123.369 12.915 7.411 1.00 0.00 H new ATOM 0 HA ASP A 124 122.930 11.431 9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 124 123.543 9.043 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 124 121.870 9.564 8.697 1.00 0.00 H new ATOM 2008 N ASP A 125 125.354 11.590 7.399 1.00 0.00 N ATOM 2009 CA ASP A 125 126.799 11.706 7.235 1.00 0.00 C ATOM 2010 C ASP A 125 127.262 13.120 7.577 1.00 0.00 C ATOM 2011 O ASP A 125 127.272 13.951 6.685 1.00 0.00 O ATOM 2012 CB ASP A 125 127.186 11.376 5.791 1.00 0.00 C ATOM 2013 CG ASP A 125 126.185 12.002 4.826 1.00 0.00 C ATOM 2014 OD1 ASP A 125 126.186 13.215 4.707 1.00 0.00 O ATOM 2015 OD2 ASP A 125 125.433 11.258 4.217 1.00 0.00 O ATOM 2016 OXT ASP A 125 127.598 13.349 8.727 1.00 0.00 O ATOM 0 H ASP A 125 124.816 11.773 6.552 1.00 0.00 H new ATOM 0 HA ASP A 125 127.283 11.002 7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 125 128.188 11.749 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 125 127.212 10.295 5.651 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.832 3.481 13.297 1.00 0.00 P HETATM 2023 O2P C2E A 501 105.973 2.682 14.536 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.491 3.947 12.868 1.00 0.00 O HETATM 2025 O5' C2E A 501 106.494 2.654 12.081 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.729 2.392 10.905 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.437 1.442 9.931 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.439 0.657 9.259 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.264 2.147 8.836 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.679 2.106 9.109 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.977 1.313 7.600 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.872 0.199 7.498 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.551 0.864 7.848 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.542 1.868 7.453 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.708 2.619 8.235 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.971 3.473 7.593 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.340 3.275 6.265 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.875 3.919 5.089 1.00 0.00 C HETATM 2039 O6 C2E A 501 102.047 4.816 4.992 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.500 3.420 3.953 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.455 2.426 3.950 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.916 2.050 2.757 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.896 1.823 5.055 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.297 2.294 6.171 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.274 1.850 10.586 1.00 0.00 P HETATM 2046 O21 C2E A 501 108.646 0.629 11.139 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.749 1.952 10.513 1.00 0.00 O HETATM 2048 O5A C2E A 501 108.727 3.115 11.406 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.888 4.433 10.885 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.546 5.481 11.931 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.965 6.776 11.489 1.00 0.00 O HETATM 2052 C3A C2E A 501 107.066 5.577 12.270 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.789 4.768 13.416 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.897 7.035 12.630 1.00 0.00 C HETATM 2055 O2A C2E A 501 107.214 7.268 14.006 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.903 7.714 11.711 1.00 0.00 C HETATM 2057 N91 C2E A 501 107.392 8.091 10.382 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.712 7.568 9.157 1.00 0.00 C HETATM 2059 N71 C2E A 501 107.133 8.144 8.147 1.00 0.00 N HETATM 2060 C51 C2E A 501 106.356 9.133 8.743 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.491 10.092 8.149 1.00 0.00 C HETATM 2062 O61 C2E A 501 105.239 10.260 6.958 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.899 10.904 9.104 1.00 0.00 N HETATM 2064 C21 C2E A 501 105.106 10.808 10.466 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.441 11.674 11.229 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.918 9.907 11.028 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.507 9.107 10.112 1.00 0.00 C HETATM 0 HO2A C2E A 501 107.134 6.429 14.507 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.552 0.387 6.818 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.819 12.359 10.800 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.553 11.652 12.243 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.624 1.319 2.691 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.561 2.494 1.910 1.00 0.00 H new HETATM 0 HN11 C2E A 501 104.261 11.629 8.775 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.916 4.572 10.550 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.248 4.563 10.013 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 104.769 1.962 11.191 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 105.518 3.333 10.398 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.232 3.819 3.053 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.401 6.731 9.039 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.665 2.508 9.319 1.00 0.00 H new HETATM 0 H4A C2E A 501 109.073 5.158 12.829 1.00 0.00 H new HETATM 0 H4' C2E A 501 107.127 0.852 10.535 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.409 5.246 11.466 1.00 0.00 H new HETATM 0 H3' C2E A 501 107.003 3.202 8.749 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.877 7.400 12.507 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.108 1.855 6.663 1.00 0.00 H new HETATM 0 H1A C2E A 501 108.196 8.639 12.208 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.358 -0.028 7.252 1.00 0.00 H new HETATM 2090 P1 C2E A 502 101.840 12.944 2.695 1.00 0.00 P HETATM 2091 O2P C2E A 502 100.496 13.527 2.489 1.00 0.00 O HETATM 2092 O1P C2E A 502 102.369 11.952 1.733 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.886 12.291 4.169 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.885 11.353 4.583 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.632 11.433 6.089 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.351 10.125 6.615 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.811 11.960 6.884 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.777 13.390 6.929 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.540 11.370 8.252 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.565 12.138 8.968 1.00 0.00 O HETATM 2101 C1' C2E A 502 101.004 9.995 7.888 1.00 0.00 C HETATM 2102 N9 C2E A 502 102.047 8.958 7.758 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.698 8.507 6.642 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.561 7.559 6.855 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.481 7.349 8.225 1.00 0.00 C HETATM 2106 C6 C2E A 502 104.187 6.428 9.044 1.00 0.00 C HETATM 2107 O6 C2E A 502 105.035 5.605 8.708 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.809 6.535 10.373 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.872 7.419 10.862 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.646 7.365 12.176 1.00 0.00 N HETATM 2111 N3 C2E A 502 102.205 8.291 10.096 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.559 8.201 8.791 1.00 0.00 C HETATM 2113 P11 C2E A 502 102.863 14.215 7.780 1.00 0.00 P HETATM 2114 O21 C2E A 502 102.203 15.423 8.326 1.00 0.00 O HETATM 2115 O11 C2E A 502 103.551 13.276 8.692 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.911 14.682 6.650 1.00 0.00 O HETATM 2117 C5A C2E A 502 103.520 15.628 5.652 1.00 0.00 C HETATM 2118 C4A C2E A 502 104.275 15.416 4.343 1.00 0.00 C HETATM 2119 O4A C2E A 502 105.684 15.500 4.570 1.00 0.00 O HETATM 2120 C3A C2E A 502 104.025 14.067 3.686 1.00 0.00 C HETATM 2121 O3A C2E A 502 102.901 14.153 2.803 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.298 13.846 2.889 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.220 14.456 1.596 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.350 14.521 3.761 1.00 0.00 C HETATM 2125 N91 C2E A 502 107.051 13.592 4.659 1.00 0.00 N HETATM 2126 C81 C2E A 502 107.066 13.534 6.023 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.865 12.641 6.523 1.00 0.00 N HETATM 2128 C51 C2E A 502 108.427 12.050 5.391 1.00 0.00 C HETATM 2129 C61 C2E A 502 109.382 11.006 5.291 1.00 0.00 C HETATM 2130 O61 C2E A 502 109.941 10.403 6.198 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.681 10.712 3.967 1.00 0.00 N HETATM 2132 C21 C2E A 502 109.130 11.343 2.874 1.00 0.00 C HETATM 2133 N21 C2E A 502 109.536 10.919 1.678 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.233 12.326 2.966 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.931 12.625 4.251 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.281 14.540 1.330 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.456 13.011 8.537 1.00 0.00 H new HETATM 0 HN24 C2E A 502 110.220 10.165 1.609 1.00 0.00 H new HETATM 0 HN23 C2E A 502 109.163 11.348 0.831 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.964 7.992 12.602 1.00 0.00 H new HETATM 0 HN21 C2E A 502 103.155 6.696 12.754 1.00 0.00 H new HETATM 0 HN11 C2E A 502 110.361 9.972 3.791 1.00 0.00 H new HETATM 0 H512 C2E A 502 102.448 15.544 5.471 1.00 0.00 H new HETATM 0 H511 C2E A 502 103.703 16.638 6.018 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 99.957 11.549 4.046 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 101.199 10.343 4.319 1.00 0.00 H new HETATM 0 HN1 C2E A 502 104.260 5.910 11.042 1.00 0.00 H new HETATM 0 H81 C2E A 502 106.454 14.187 6.645 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.507 8.913 5.649 1.00 0.00 H new HETATM 0 H4A C2E A 502 103.905 16.198 3.680 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.794 12.122 6.195 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.808 13.267 4.394 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.787 11.699 6.475 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.508 12.795 2.688 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.411 11.349 8.908 1.00 0.00 H new HETATM 0 H1A C2E A 502 107.098 14.954 3.096 1.00 0.00 H new HETATM 0 H1' C2E A 502 100.342 9.674 8.692 1.00 0.00 H new