USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 SER OG : rot -76:sc= 1.05 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.75 K(o=2.8,f=-1.9!) USER MOD Set 2.1: A 8 THR OG1 : rot -43:sc= 1.36 USER MOD Set 2.2: A 11 SER OG : rot 8:sc= 2.99 USER MOD Set 3.1: A 3 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0) USER MOD Set 3.2: A 50 GLN : amide:sc= 1.97 K(o=3,f=-9.4!) USER MOD Single : A 1 SER N :NH3+ 141:sc= 1.08 (180deg=0.212) USER MOD Single : A 1 SER OG : rot 180:sc= 0.316 USER MOD Single : A 6 HIS : no HE2:sc= -0.132 X(o=-0.13,f=-0.61) USER MOD Single : A 14 THR OG1 : rot 47:sc= 1.4 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.026) USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.67) USER MOD Single : A 37 MET CE :methyl 170:sc= 0 (180deg=-0.146) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0341) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0.798 (180deg=0.741) USER MOD Single : A 59 ASN : amide:sc= 2.07 K(o=2.1,f=-7.9!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= 1.35 K(o=1.4,f=-4.7!) USER MOD Single : A 66 THR OG1 : rot -52:sc= 1.28 USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= 0.0835 (180deg=0) USER MOD Single : A 70 TYR OH : rot 150:sc= 0 USER MOD Single : A 77 THR OG1 : rot 130:sc= 1.2 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 1.18 (180deg=1.07) USER MOD Single : A 83 ASN : amide:sc= 0.397 K(o=0.4,f=-0.38) USER MOD Single : A 89 THR OG1 : rot 30:sc= 0.607 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.02) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 1.43 (180deg=1.43) USER MOD Single : A 100 LYS NZ :NH3+ 172:sc= 0.919 (180deg=0.78) USER MOD Single : A 106 ASN : amide:sc= 1.22 K(o=1.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.486 -10.209 3.656 1.00 0.00 N ATOM 2 CA SER A 1 8.857 -9.638 2.372 1.00 0.00 C ATOM 3 C SER A 1 7.603 -9.307 1.556 1.00 0.00 C ATOM 4 O SER A 1 7.025 -8.234 1.704 1.00 0.00 O ATOM 5 CB SER A 1 9.805 -10.601 1.644 1.00 0.00 C ATOM 6 OG SER A 1 9.213 -11.882 1.541 1.00 0.00 O ATOM 0 H1 SER A 1 9.146 -10.975 3.899 1.00 0.00 H new ATOM 0 H2 SER A 1 8.527 -9.472 4.388 1.00 0.00 H new ATOM 0 H3 SER A 1 7.520 -10.589 3.601 1.00 0.00 H new ATOM 0 HA SER A 1 9.390 -8.698 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.033 -10.217 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.750 -10.671 2.183 1.00 0.00 H new ATOM 0 HG SER A 1 9.825 -12.488 1.074 1.00 0.00 H new ATOM 12 N ASP A 2 7.172 -10.230 0.694 1.00 0.00 N ATOM 13 CA ASP A 2 5.988 -10.035 -0.127 1.00 0.00 C ATOM 14 C ASP A 2 4.739 -10.143 0.743 1.00 0.00 C ATOM 15 O ASP A 2 4.246 -11.240 0.992 1.00 0.00 O ATOM 16 CB ASP A 2 5.946 -11.034 -1.293 1.00 0.00 C ATOM 17 CG ASP A 2 4.729 -10.832 -2.205 1.00 0.00 C ATOM 18 OD1 ASP A 2 3.894 -9.950 -1.902 1.00 0.00 O ATOM 19 OD2 ASP A 2 4.657 -11.575 -3.207 1.00 0.00 O ATOM 0 H ASP A 2 7.635 -11.127 0.550 1.00 0.00 H new ATOM 0 HA ASP A 2 6.025 -9.038 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.857 -10.935 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.932 -12.049 -0.896 1.00 0.00 H new ATOM 24 N LYS A 3 4.214 -8.991 1.160 1.00 0.00 N ATOM 25 CA LYS A 3 2.977 -8.884 1.920 1.00 0.00 C ATOM 26 C LYS A 3 2.040 -7.975 1.124 1.00 0.00 C ATOM 27 O LYS A 3 1.370 -7.108 1.677 1.00 0.00 O ATOM 28 CB LYS A 3 3.276 -8.366 3.335 1.00 0.00 C ATOM 29 CG LYS A 3 4.371 -9.215 4.000 1.00 0.00 C ATOM 30 CD LYS A 3 4.483 -9.001 5.516 1.00 0.00 C ATOM 31 CE LYS A 3 3.285 -9.607 6.260 1.00 0.00 C ATOM 32 NZ LYS A 3 3.553 -9.742 7.702 1.00 0.00 N ATOM 0 H LYS A 3 4.650 -8.088 0.973 1.00 0.00 H new ATOM 0 HA LYS A 3 2.491 -9.850 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.594 -7.325 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.369 -8.395 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.170 -10.268 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.330 -8.982 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.405 -9.453 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.544 -7.934 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.407 -8.978 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.052 -10.585 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.836 -10.361 8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.497 -10.156 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.516 -8.805 8.151 1.00 0.00 H new ATOM 46 N ILE A 4 2.037 -8.164 -0.200 1.00 0.00 N ATOM 47 CA ILE A 4 1.269 -7.360 -1.133 1.00 0.00 C ATOM 48 C ILE A 4 -0.108 -7.975 -1.371 1.00 0.00 C ATOM 49 O ILE A 4 -0.241 -9.193 -1.476 1.00 0.00 O ATOM 50 CB ILE A 4 2.057 -7.212 -2.445 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.387 -6.495 -2.154 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.228 -6.450 -3.481 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.138 -6.081 -3.420 1.00 0.00 C ATOM 0 H ILE A 4 2.582 -8.897 -0.654 1.00 0.00 H new ATOM 0 HA ILE A 4 1.108 -6.368 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 4 2.273 -8.197 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.190 -5.609 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.023 -7.151 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.799 -6.353 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.305 -6.995 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.988 -5.458 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.067 -5.581 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.365 -6.966 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.519 -5.401 -4.004 1.00 0.00 H new ATOM 65 N ILE A 5 -1.128 -7.120 -1.482 1.00 0.00 N ATOM 66 CA ILE A 5 -2.500 -7.544 -1.733 1.00 0.00 C ATOM 67 C ILE A 5 -2.784 -7.588 -3.231 1.00 0.00 C ATOM 68 O ILE A 5 -2.801 -6.566 -3.910 1.00 0.00 O ATOM 69 CB ILE A 5 -3.492 -6.641 -0.974 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.136 -6.471 0.516 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.929 -7.158 -1.134 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.027 -7.786 1.296 1.00 0.00 C ATOM 0 H ILE A 5 -1.020 -6.109 -1.399 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.633 -8.557 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.417 -5.651 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.188 -5.938 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.892 -5.844 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.613 -6.506 -0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.197 -7.166 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.998 -8.170 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.774 -7.573 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.980 -8.313 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.249 -8.408 0.853 1.00 0.00 H new ATOM 84 N HIS A 6 -3.010 -8.795 -3.744 1.00 0.00 N ATOM 85 CA HIS A 6 -3.287 -9.048 -5.144 1.00 0.00 C ATOM 86 C HIS A 6 -4.774 -8.840 -5.408 1.00 0.00 C ATOM 87 O HIS A 6 -5.587 -9.717 -5.128 1.00 0.00 O ATOM 88 CB HIS A 6 -2.756 -10.448 -5.469 1.00 0.00 C ATOM 89 CG HIS A 6 -1.256 -10.469 -5.283 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.554 -10.939 -4.183 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.428 -9.625 -5.961 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.686 -10.411 -4.235 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.787 -9.625 -5.317 1.00 0.00 N ATOM 0 H HIS A 6 -3.004 -9.643 -3.177 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.782 -8.352 -5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.225 -11.187 -4.819 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.011 -10.717 -6.494 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.911 -11.570 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.681 -9.058 -6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.473 -10.593 -3.518 1.00 0.00 H new ATOM 102 N LEU A 7 -5.120 -7.655 -5.915 1.00 0.00 N ATOM 103 CA LEU A 7 -6.489 -7.241 -6.160 1.00 0.00 C ATOM 104 C LEU A 7 -7.000 -7.669 -7.530 1.00 0.00 C ATOM 105 O LEU A 7 -6.234 -7.898 -8.466 1.00 0.00 O ATOM 106 CB LEU A 7 -6.563 -5.709 -6.101 1.00 0.00 C ATOM 107 CG LEU A 7 -6.234 -5.104 -4.733 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.197 -3.583 -4.891 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.305 -5.450 -3.699 1.00 0.00 C ATOM 0 H LEU A 7 -4.434 -6.945 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.106 -7.717 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.876 -5.297 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.566 -5.396 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.279 -5.503 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.964 -3.123 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.432 -3.311 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.168 -3.229 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.041 -5.006 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.268 -5.059 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.371 -6.533 -3.592 1.00 0.00 H new ATOM 121 N THR A 8 -8.329 -7.685 -7.634 1.00 0.00 N ATOM 122 CA THR A 8 -9.094 -7.902 -8.845 1.00 0.00 C ATOM 123 C THR A 8 -10.081 -6.738 -8.964 1.00 0.00 C ATOM 124 O THR A 8 -10.385 -6.086 -7.958 1.00 0.00 O ATOM 125 CB THR A 8 -9.852 -9.237 -8.788 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.861 -9.195 -7.796 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.911 -10.413 -8.512 1.00 0.00 C ATOM 0 H THR A 8 -8.929 -7.537 -6.822 1.00 0.00 H new ATOM 0 HA THR A 8 -8.431 -7.947 -9.709 1.00 0.00 H new ATOM 0 HB THR A 8 -10.310 -9.388 -9.766 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.509 -8.764 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.485 -11.339 -8.479 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.166 -10.476 -9.305 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.411 -10.262 -7.555 1.00 0.00 H new ATOM 135 N ASP A 9 -10.608 -6.491 -10.168 1.00 0.00 N ATOM 136 CA ASP A 9 -11.590 -5.438 -10.394 1.00 0.00 C ATOM 137 C ASP A 9 -12.760 -5.600 -9.423 1.00 0.00 C ATOM 138 O ASP A 9 -13.162 -4.650 -8.759 1.00 0.00 O ATOM 139 CB ASP A 9 -12.089 -5.482 -11.844 1.00 0.00 C ATOM 140 CG ASP A 9 -13.063 -4.338 -12.108 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.565 -3.203 -12.281 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.281 -4.616 -12.127 1.00 0.00 O ATOM 0 H ASP A 9 -10.363 -7.016 -11.007 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.120 -4.470 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.243 -5.413 -12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.579 -6.436 -12.038 1.00 0.00 H new ATOM 147 N ASP A 10 -13.280 -6.826 -9.342 1.00 0.00 N ATOM 148 CA ASP A 10 -14.393 -7.205 -8.481 1.00 0.00 C ATOM 149 C ASP A 10 -14.128 -6.823 -7.026 1.00 0.00 C ATOM 150 O ASP A 10 -15.006 -6.286 -6.354 1.00 0.00 O ATOM 151 CB ASP A 10 -14.635 -8.717 -8.593 1.00 0.00 C ATOM 152 CG ASP A 10 -14.901 -9.158 -10.029 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.917 -9.166 -10.803 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.073 -9.470 -10.326 1.00 0.00 O ATOM 0 H ASP A 10 -12.923 -7.606 -9.894 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.281 -6.665 -8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.767 -9.251 -8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.484 -8.994 -7.968 1.00 0.00 H new ATOM 159 N SER A 11 -12.923 -7.111 -6.527 1.00 0.00 N ATOM 160 CA SER A 11 -12.578 -6.846 -5.137 1.00 0.00 C ATOM 161 C SER A 11 -12.247 -5.371 -4.894 1.00 0.00 C ATOM 162 O SER A 11 -12.414 -4.887 -3.776 1.00 0.00 O ATOM 163 CB SER A 11 -11.384 -7.728 -4.757 1.00 0.00 C ATOM 164 OG SER A 11 -10.340 -7.593 -5.707 1.00 0.00 O ATOM 0 H SER A 11 -12.170 -7.530 -7.072 1.00 0.00 H new ATOM 0 HA SER A 11 -13.441 -7.080 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.021 -7.450 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.699 -8.770 -4.700 1.00 0.00 H new ATOM 0 HG SER A 11 -10.559 -6.871 -6.333 1.00 0.00 H new ATOM 170 N PHE A 12 -11.739 -4.685 -5.923 1.00 0.00 N ATOM 171 CA PHE A 12 -11.273 -3.309 -5.887 1.00 0.00 C ATOM 172 C PHE A 12 -12.034 -2.387 -4.934 1.00 0.00 C ATOM 173 O PHE A 12 -11.457 -1.889 -3.977 1.00 0.00 O ATOM 174 CB PHE A 12 -11.249 -2.729 -7.304 1.00 0.00 C ATOM 175 CG PHE A 12 -10.395 -1.487 -7.394 1.00 0.00 C ATOM 176 CD1 PHE A 12 -9.004 -1.634 -7.502 1.00 0.00 C ATOM 177 CD2 PHE A 12 -10.956 -0.209 -7.209 1.00 0.00 C ATOM 178 CE1 PHE A 12 -8.180 -0.501 -7.535 1.00 0.00 C ATOM 179 CE2 PHE A 12 -10.120 0.919 -7.165 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.736 0.777 -7.361 1.00 0.00 C ATOM 0 H PHE A 12 -11.640 -5.103 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.264 -3.353 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.870 -3.480 -7.997 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.266 -2.493 -7.616 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.568 -2.620 -7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.025 -0.096 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.117 -0.611 -7.694 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.541 1.896 -6.980 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.100 1.650 -7.378 1.00 0.00 H new ATOM 190 N ASP A 13 -13.315 -2.122 -5.193 1.00 0.00 N ATOM 191 CA ASP A 13 -14.115 -1.207 -4.389 1.00 0.00 C ATOM 192 C ASP A 13 -14.048 -1.564 -2.903 1.00 0.00 C ATOM 193 O ASP A 13 -13.670 -0.743 -2.067 1.00 0.00 O ATOM 194 CB ASP A 13 -15.559 -1.226 -4.904 1.00 0.00 C ATOM 195 CG ASP A 13 -15.672 -0.654 -6.317 1.00 0.00 C ATOM 196 OD1 ASP A 13 -15.091 -1.278 -7.232 1.00 0.00 O ATOM 197 OD2 ASP A 13 -16.332 0.398 -6.455 1.00 0.00 O ATOM 0 H ASP A 13 -13.826 -2.540 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.712 -0.199 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.933 -2.250 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.192 -0.651 -4.229 1.00 0.00 H new ATOM 202 N THR A 14 -14.410 -2.799 -2.570 1.00 0.00 N ATOM 203 CA THR A 14 -14.421 -3.285 -1.204 1.00 0.00 C ATOM 204 C THR A 14 -13.045 -3.226 -0.545 1.00 0.00 C ATOM 205 O THR A 14 -12.924 -2.825 0.608 1.00 0.00 O ATOM 206 CB THR A 14 -14.972 -4.720 -1.206 1.00 0.00 C ATOM 207 OG1 THR A 14 -14.767 -5.323 -2.472 1.00 0.00 O ATOM 208 CG2 THR A 14 -16.477 -4.708 -0.939 1.00 0.00 C ATOM 0 H THR A 14 -14.707 -3.495 -3.254 1.00 0.00 H new ATOM 0 HA THR A 14 -15.061 -2.634 -0.609 1.00 0.00 H new ATOM 0 HB THR A 14 -14.450 -5.279 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.844 -5.167 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.855 -5.730 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.671 -4.253 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.980 -4.132 -1.716 1.00 0.00 H new ATOM 216 N ASP A 15 -12.010 -3.670 -1.254 1.00 0.00 N ATOM 217 CA ASP A 15 -10.676 -3.771 -0.689 1.00 0.00 C ATOM 218 C ASP A 15 -9.981 -2.416 -0.584 1.00 0.00 C ATOM 219 O ASP A 15 -9.252 -2.184 0.375 1.00 0.00 O ATOM 220 CB ASP A 15 -9.824 -4.724 -1.535 1.00 0.00 C ATOM 221 CG ASP A 15 -10.227 -6.191 -1.402 1.00 0.00 C ATOM 222 OD1 ASP A 15 -11.447 -6.465 -1.374 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.297 -7.025 -1.357 1.00 0.00 O ATOM 0 H ASP A 15 -12.076 -3.966 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.783 -4.160 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.897 -4.430 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.779 -4.616 -1.246 1.00 0.00 H new ATOM 228 N VAL A 16 -10.148 -1.558 -1.591 1.00 0.00 N ATOM 229 CA VAL A 16 -9.468 -0.279 -1.709 1.00 0.00 C ATOM 230 C VAL A 16 -10.328 0.876 -1.211 1.00 0.00 C ATOM 231 O VAL A 16 -9.980 1.550 -0.243 1.00 0.00 O ATOM 232 CB VAL A 16 -9.032 -0.048 -3.169 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.223 1.248 -3.316 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.184 -1.214 -3.681 1.00 0.00 C ATOM 0 H VAL A 16 -10.781 -1.745 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.584 -0.312 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.945 0.029 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.932 1.379 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.832 2.095 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.329 1.192 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.890 -1.024 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.292 -1.314 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.765 -2.135 -3.632 1.00 0.00 H new ATOM 244 N LEU A 17 -11.441 1.134 -1.897 1.00 0.00 N ATOM 245 CA LEU A 17 -12.273 2.296 -1.622 1.00 0.00 C ATOM 246 C LEU A 17 -12.823 2.304 -0.197 1.00 0.00 C ATOM 247 O LEU A 17 -13.001 3.375 0.375 1.00 0.00 O ATOM 248 CB LEU A 17 -13.355 2.456 -2.700 1.00 0.00 C ATOM 249 CG LEU A 17 -12.778 2.583 -4.122 1.00 0.00 C ATOM 250 CD1 LEU A 17 -13.928 2.806 -5.111 1.00 0.00 C ATOM 251 CD2 LEU A 17 -11.781 3.743 -4.250 1.00 0.00 C ATOM 0 H LEU A 17 -11.787 0.545 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.640 3.181 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.026 1.598 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.953 3.339 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.242 1.660 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.527 2.897 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.614 1.960 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.461 3.720 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.404 3.788 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.280 4.681 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.949 3.585 -3.563 1.00 0.00 H new ATOM 263 N LYS A 18 -13.075 1.134 0.396 1.00 0.00 N ATOM 264 CA LYS A 18 -13.557 1.072 1.771 1.00 0.00 C ATOM 265 C LYS A 18 -12.413 0.959 2.793 1.00 0.00 C ATOM 266 O LYS A 18 -12.688 0.822 3.984 1.00 0.00 O ATOM 267 CB LYS A 18 -14.572 -0.068 1.933 1.00 0.00 C ATOM 268 CG LYS A 18 -15.700 0.026 0.896 1.00 0.00 C ATOM 269 CD LYS A 18 -16.789 -1.009 1.210 1.00 0.00 C ATOM 270 CE LYS A 18 -17.822 -1.103 0.081 1.00 0.00 C ATOM 271 NZ LYS A 18 -18.521 0.177 -0.132 1.00 0.00 N ATOM 0 H LYS A 18 -12.953 0.226 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.061 2.015 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.063 -1.026 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.996 -0.038 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.127 1.029 0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.301 -0.145 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.330 -1.985 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.290 -0.740 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.325 -1.403 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.550 -1.879 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.290 0.042 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.917 0.511 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.850 0.882 -0.498 1.00 0.00 H new ATOM 285 N ALA A 19 -11.136 1.005 2.382 1.00 0.00 N ATOM 286 CA ALA A 19 -10.046 0.866 3.334 1.00 0.00 C ATOM 287 C ALA A 19 -9.806 2.149 4.123 1.00 0.00 C ATOM 288 O ALA A 19 -9.211 3.099 3.612 1.00 0.00 O ATOM 289 CB ALA A 19 -8.770 0.458 2.608 1.00 0.00 C ATOM 0 H ALA A 19 -10.846 1.135 1.413 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.330 0.091 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.958 0.356 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.928 -0.494 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.510 1.220 1.874 1.00 0.00 H new ATOM 295 N ASP A 20 -10.203 2.156 5.399 1.00 0.00 N ATOM 296 CA ASP A 20 -9.916 3.264 6.296 1.00 0.00 C ATOM 297 C ASP A 20 -8.451 3.153 6.737 1.00 0.00 C ATOM 298 O ASP A 20 -8.157 2.866 7.895 1.00 0.00 O ATOM 299 CB ASP A 20 -10.885 3.256 7.486 1.00 0.00 C ATOM 300 CG ASP A 20 -10.629 4.434 8.425 1.00 0.00 C ATOM 301 OD1 ASP A 20 -10.106 5.457 7.929 1.00 0.00 O ATOM 302 OD2 ASP A 20 -10.983 4.298 9.616 1.00 0.00 O ATOM 0 H ASP A 20 -10.729 1.396 5.831 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.060 4.218 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.911 3.297 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.779 2.321 8.036 1.00 0.00 H new ATOM 307 N GLY A 21 -7.533 3.347 5.792 1.00 0.00 N ATOM 308 CA GLY A 21 -6.096 3.248 5.989 1.00 0.00 C ATOM 309 C GLY A 21 -5.408 3.777 4.734 1.00 0.00 C ATOM 310 O GLY A 21 -6.033 4.515 3.973 1.00 0.00 O ATOM 0 H GLY A 21 -7.784 3.586 4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.791 3.825 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.808 2.213 6.174 1.00 0.00 H new ATOM 314 N ALA A 22 -4.144 3.398 4.511 1.00 0.00 N ATOM 315 CA ALA A 22 -3.362 3.817 3.357 1.00 0.00 C ATOM 316 C ALA A 22 -3.053 2.594 2.492 1.00 0.00 C ATOM 317 O ALA A 22 -2.291 1.725 2.915 1.00 0.00 O ATOM 318 CB ALA A 22 -2.086 4.510 3.839 1.00 0.00 C ATOM 0 H ALA A 22 -3.633 2.781 5.142 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.921 4.528 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.496 4.826 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.349 5.382 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.502 3.817 4.444 1.00 0.00 H new ATOM 324 N ILE A 23 -3.636 2.525 1.292 1.00 0.00 N ATOM 325 CA ILE A 23 -3.450 1.445 0.334 1.00 0.00 C ATOM 326 C ILE A 23 -2.728 1.995 -0.896 1.00 0.00 C ATOM 327 O ILE A 23 -3.172 2.987 -1.466 1.00 0.00 O ATOM 328 CB ILE A 23 -4.807 0.795 -0.021 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.180 -0.244 1.048 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.796 0.132 -1.406 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.498 -0.962 0.794 1.00 0.00 C ATOM 0 H ILE A 23 -4.272 3.248 0.954 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.834 0.658 0.769 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.551 1.591 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.383 -0.985 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.231 0.252 2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.772 -0.309 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.574 0.881 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.034 -0.647 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.683 -1.677 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.309 -0.234 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.447 -1.490 -0.158 1.00 0.00 H new ATOM 343 N LEU A 24 -1.646 1.339 -1.327 1.00 0.00 N ATOM 344 CA LEU A 24 -0.898 1.719 -2.522 1.00 0.00 C ATOM 345 C LEU A 24 -1.135 0.657 -3.589 1.00 0.00 C ATOM 346 O LEU A 24 -0.541 -0.415 -3.508 1.00 0.00 O ATOM 347 CB LEU A 24 0.593 1.843 -2.191 1.00 0.00 C ATOM 348 CG LEU A 24 1.427 2.323 -3.394 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.396 3.844 -3.530 1.00 0.00 C ATOM 350 CD2 LEU A 24 2.868 1.819 -3.271 1.00 0.00 C ATOM 0 H LEU A 24 -1.264 0.523 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.235 2.687 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.721 2.540 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.969 0.877 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 24 0.983 1.907 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.995 4.145 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.367 4.176 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.803 4.298 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.448 2.164 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.311 2.204 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.871 0.729 -3.246 1.00 0.00 H new ATOM 362 N VAL A 25 -1.974 0.940 -4.590 1.00 0.00 N ATOM 363 CA VAL A 25 -2.255 -0.012 -5.658 1.00 0.00 C ATOM 364 C VAL A 25 -1.284 0.187 -6.820 1.00 0.00 C ATOM 365 O VAL A 25 -1.301 1.240 -7.458 1.00 0.00 O ATOM 366 CB VAL A 25 -3.701 0.092 -6.164 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.957 -1.058 -7.151 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.727 0.025 -5.030 1.00 0.00 C ATOM 0 H VAL A 25 -2.470 1.827 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.122 -1.009 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.819 1.062 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.981 -0.999 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.264 -0.980 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.808 -2.012 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.732 0.103 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.625 -0.923 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.556 0.847 -4.335 1.00 0.00 H new ATOM 378 N ASP A 26 -0.481 -0.838 -7.112 1.00 0.00 N ATOM 379 CA ASP A 26 0.439 -0.878 -8.236 1.00 0.00 C ATOM 380 C ASP A 26 -0.227 -1.621 -9.396 1.00 0.00 C ATOM 381 O ASP A 26 -0.417 -2.836 -9.334 1.00 0.00 O ATOM 382 CB ASP A 26 1.742 -1.575 -7.830 1.00 0.00 C ATOM 383 CG ASP A 26 2.615 -1.842 -9.050 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.793 -0.982 -9.905 1.00 0.00 O ATOM 385 OD2 ASP A 26 3.178 -3.072 -9.173 1.00 0.00 O ATOM 0 H ASP A 26 -0.457 -1.689 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 26 0.682 0.138 -8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.285 -0.954 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.516 -2.515 -7.326 1.00 0.00 H new ATOM 391 N PHE A 27 -0.558 -0.900 -10.462 1.00 0.00 N ATOM 392 CA PHE A 27 -1.160 -1.476 -11.655 1.00 0.00 C ATOM 393 C PHE A 27 -0.023 -2.024 -12.521 1.00 0.00 C ATOM 394 O PHE A 27 0.875 -1.260 -12.878 1.00 0.00 O ATOM 395 CB PHE A 27 -1.982 -0.403 -12.378 1.00 0.00 C ATOM 396 CG PHE A 27 -3.259 -0.019 -11.646 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.206 0.728 -10.452 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.512 -0.404 -12.161 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.389 1.056 -9.769 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.695 -0.069 -11.479 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.636 0.659 -10.281 1.00 0.00 C ATOM 0 H PHE A 27 -0.414 0.108 -10.521 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.844 -2.290 -11.415 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.367 0.487 -12.510 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.238 -0.763 -13.374 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.252 1.050 -10.061 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.564 -0.960 -13.085 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.340 1.616 -8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.651 -0.373 -11.878 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.544 0.913 -9.755 1.00 0.00 H new ATOM 411 N TRP A 28 -0.038 -3.329 -12.829 1.00 0.00 N ATOM 412 CA TRP A 28 1.024 -3.987 -13.589 1.00 0.00 C ATOM 413 C TRP A 28 0.488 -4.960 -14.645 1.00 0.00 C ATOM 414 O TRP A 28 -0.718 -5.181 -14.737 1.00 0.00 O ATOM 415 CB TRP A 28 1.972 -4.702 -12.615 1.00 0.00 C ATOM 416 CG TRP A 28 1.427 -5.920 -11.936 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.591 -5.930 -10.875 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.663 -7.320 -12.268 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.276 -7.233 -10.550 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.881 -8.134 -11.399 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.478 -7.988 -13.204 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.861 -9.534 -11.493 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.484 -9.391 -13.293 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.648 -10.162 -12.471 1.00 0.00 C ATOM 0 H TRP A 28 -0.793 -3.957 -12.554 1.00 0.00 H new ATOM 0 HA TRP A 28 1.566 -3.218 -14.139 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.872 -4.987 -13.160 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.276 -3.990 -11.848 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.226 -5.053 -10.361 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.332 -7.498 -9.775 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.109 -7.412 -13.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.249 -10.120 -10.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.138 -9.880 -14.000 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.610 -11.235 -12.590 1.00 0.00 H new ATOM 435 N ALA A 29 1.404 -5.545 -15.427 1.00 0.00 N ATOM 436 CA ALA A 29 1.132 -6.511 -16.485 1.00 0.00 C ATOM 437 C ALA A 29 2.304 -7.488 -16.589 1.00 0.00 C ATOM 438 O ALA A 29 3.442 -7.095 -16.338 1.00 0.00 O ATOM 439 CB ALA A 29 0.988 -5.778 -17.818 1.00 0.00 C ATOM 0 H ALA A 29 2.399 -5.345 -15.330 1.00 0.00 H new ATOM 0 HA ALA A 29 0.213 -7.050 -16.255 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.785 -6.499 -18.610 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.165 -5.067 -17.755 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.912 -5.245 -18.042 1.00 0.00 H new ATOM 445 N GLU A 30 2.053 -8.739 -16.984 1.00 0.00 N ATOM 446 CA GLU A 30 3.086 -9.769 -17.114 1.00 0.00 C ATOM 447 C GLU A 30 4.230 -9.335 -18.036 1.00 0.00 C ATOM 448 O GLU A 30 5.382 -9.694 -17.814 1.00 0.00 O ATOM 449 CB GLU A 30 2.497 -11.107 -17.586 1.00 0.00 C ATOM 450 CG GLU A 30 1.276 -11.595 -16.791 1.00 0.00 C ATOM 451 CD GLU A 30 -0.040 -11.172 -17.437 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.386 -9.983 -17.266 1.00 0.00 O ATOM 453 OE2 GLU A 30 -0.662 -12.028 -18.099 1.00 0.00 O ATOM 0 H GLU A 30 1.118 -9.068 -17.225 1.00 0.00 H new ATOM 0 HA GLU A 30 3.502 -9.910 -16.116 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.215 -11.013 -18.635 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.275 -11.869 -17.532 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.307 -12.682 -16.712 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.324 -11.200 -15.776 1.00 0.00 H new ATOM 460 N TRP A 31 3.905 -8.571 -19.078 1.00 0.00 N ATOM 461 CA TRP A 31 4.867 -8.068 -20.049 1.00 0.00 C ATOM 462 C TRP A 31 5.539 -6.770 -19.577 1.00 0.00 C ATOM 463 O TRP A 31 6.510 -6.319 -20.185 1.00 0.00 O ATOM 464 CB TRP A 31 4.152 -7.880 -21.394 1.00 0.00 C ATOM 465 CG TRP A 31 2.830 -7.171 -21.344 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.622 -7.777 -21.317 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.555 -5.737 -21.299 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.626 -6.829 -21.258 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.143 -5.549 -21.257 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.357 -4.574 -21.283 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.553 -4.277 -21.209 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.777 -3.293 -21.233 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.380 -3.141 -21.204 1.00 0.00 C ATOM 0 H TRP A 31 2.947 -8.281 -19.272 1.00 0.00 H new ATOM 0 HA TRP A 31 5.671 -8.795 -20.163 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.814 -7.326 -22.060 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.998 -8.862 -21.841 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.462 -8.845 -21.339 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.370 -7.045 -21.220 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.432 -4.670 -21.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.521 -4.172 -21.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.411 -2.419 -21.217 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.943 -2.154 -21.178 1.00 0.00 H new ATOM 484 N CYS A 32 5.052 -6.150 -18.498 1.00 0.00 N ATOM 485 CA CYS A 32 5.611 -4.899 -18.012 1.00 0.00 C ATOM 486 C CYS A 32 6.884 -5.148 -17.204 1.00 0.00 C ATOM 487 O CYS A 32 6.872 -5.148 -15.972 1.00 0.00 O ATOM 488 CB CYS A 32 4.580 -4.136 -17.191 1.00 0.00 C ATOM 489 SG CYS A 32 5.200 -2.571 -16.545 1.00 0.00 S ATOM 0 H CYS A 32 4.269 -6.501 -17.947 1.00 0.00 H new ATOM 0 HA CYS A 32 5.879 -4.286 -18.873 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.703 -3.944 -17.809 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.253 -4.761 -16.360 1.00 0.00 H new ATOM 494 N GLY A 33 7.995 -5.353 -17.916 1.00 0.00 N ATOM 495 CA GLY A 33 9.317 -5.552 -17.332 1.00 0.00 C ATOM 496 C GLY A 33 9.570 -4.613 -16.142 1.00 0.00 C ATOM 497 O GLY A 33 9.810 -5.094 -15.038 1.00 0.00 O ATOM 0 H GLY A 33 7.997 -5.385 -18.935 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.416 -6.587 -17.004 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.078 -5.385 -18.094 1.00 0.00 H new ATOM 501 N PRO A 34 9.499 -3.284 -16.329 1.00 0.00 N ATOM 502 CA PRO A 34 9.695 -2.313 -15.260 1.00 0.00 C ATOM 503 C PRO A 34 8.788 -2.547 -14.043 1.00 0.00 C ATOM 504 O PRO A 34 9.212 -2.354 -12.905 1.00 0.00 O ATOM 505 CB PRO A 34 9.426 -0.943 -15.895 1.00 0.00 C ATOM 506 CG PRO A 34 9.735 -1.174 -17.373 1.00 0.00 C ATOM 507 CD PRO A 34 9.247 -2.605 -17.590 1.00 0.00 C ATOM 0 HA PRO A 34 10.706 -2.397 -14.861 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.394 -0.626 -15.745 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.063 -0.169 -15.467 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.211 -0.465 -18.013 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.799 -1.071 -17.587 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.187 -2.626 -17.845 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.782 -3.084 -18.410 1.00 0.00 H new ATOM 515 N CYS A 35 7.543 -2.982 -14.263 1.00 0.00 N ATOM 516 CA CYS A 35 6.613 -3.245 -13.171 1.00 0.00 C ATOM 517 C CYS A 35 7.172 -4.382 -12.324 1.00 0.00 C ATOM 518 O CYS A 35 7.202 -4.312 -11.098 1.00 0.00 O ATOM 519 CB CYS A 35 5.207 -3.631 -13.645 1.00 0.00 C ATOM 520 SG CYS A 35 4.270 -2.487 -14.691 1.00 0.00 S ATOM 0 H CYS A 35 7.160 -3.158 -15.192 1.00 0.00 H new ATOM 0 HA CYS A 35 6.514 -2.320 -12.603 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.293 -4.573 -14.187 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.606 -3.828 -12.757 1.00 0.00 H new ATOM 525 N LYS A 36 7.629 -5.438 -12.997 1.00 0.00 N ATOM 526 CA LYS A 36 8.227 -6.577 -12.327 1.00 0.00 C ATOM 527 C LYS A 36 9.517 -6.131 -11.637 1.00 0.00 C ATOM 528 O LYS A 36 9.755 -6.502 -10.493 1.00 0.00 O ATOM 529 CB LYS A 36 8.442 -7.717 -13.324 1.00 0.00 C ATOM 530 CG LYS A 36 7.079 -8.249 -13.802 1.00 0.00 C ATOM 531 CD LYS A 36 7.110 -8.688 -15.267 1.00 0.00 C ATOM 532 CE LYS A 36 8.014 -9.900 -15.502 1.00 0.00 C ATOM 533 NZ LYS A 36 8.032 -10.263 -16.931 1.00 0.00 N ATOM 0 H LYS A 36 7.593 -5.522 -14.013 1.00 0.00 H new ATOM 0 HA LYS A 36 7.561 -6.963 -11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.025 -7.364 -14.175 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.013 -8.519 -12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.781 -9.092 -13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.323 -7.474 -13.673 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.097 -8.927 -15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.455 -7.858 -15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.026 -9.677 -15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.660 -10.745 -14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.286 -11.266 -17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.090 -10.102 -17.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.732 -9.677 -17.429 1.00 0.00 H new ATOM 547 N MET A 37 10.330 -5.304 -12.300 1.00 0.00 N ATOM 548 CA MET A 37 11.562 -4.769 -11.737 1.00 0.00 C ATOM 549 C MET A 37 11.295 -4.109 -10.379 1.00 0.00 C ATOM 550 O MET A 37 12.055 -4.324 -9.437 1.00 0.00 O ATOM 551 CB MET A 37 12.210 -3.790 -12.725 1.00 0.00 C ATOM 552 CG MET A 37 13.636 -3.412 -12.304 1.00 0.00 C ATOM 553 SD MET A 37 14.488 -2.244 -13.397 1.00 0.00 S ATOM 554 CE MET A 37 13.478 -0.760 -13.178 1.00 0.00 C ATOM 0 H MET A 37 10.145 -4.987 -13.252 1.00 0.00 H new ATOM 0 HA MET A 37 12.261 -5.588 -11.568 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.232 -4.238 -13.718 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.601 -2.889 -12.795 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.599 -2.984 -11.302 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.231 -4.323 -12.240 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.975 0.091 -13.644 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.504 -0.911 -13.643 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.345 -0.564 -12.114 1.00 0.00 H new ATOM 564 N ILE A 38 10.226 -3.311 -10.263 1.00 0.00 N ATOM 565 CA ILE A 38 9.899 -2.672 -8.989 1.00 0.00 C ATOM 566 C ILE A 38 9.205 -3.623 -8.001 1.00 0.00 C ATOM 567 O ILE A 38 9.067 -3.269 -6.834 1.00 0.00 O ATOM 568 CB ILE A 38 9.135 -1.345 -9.172 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.725 -1.543 -9.745 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.953 -0.375 -10.037 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.859 -0.284 -9.638 1.00 0.00 C ATOM 0 H ILE A 38 9.583 -3.097 -11.025 1.00 0.00 H new ATOM 0 HA ILE A 38 10.854 -2.414 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 38 9.002 -0.911 -8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.801 -1.838 -10.791 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.235 -2.361 -9.218 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.402 0.558 -10.158 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.908 -0.172 -9.552 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.131 -0.821 -11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.873 -0.483 -10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.756 -0.001 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.331 0.530 -10.189 1.00 0.00 H new ATOM 583 N ALA A 39 8.780 -4.826 -8.413 1.00 0.00 N ATOM 584 CA ALA A 39 8.135 -5.788 -7.517 1.00 0.00 C ATOM 585 C ALA A 39 8.913 -6.011 -6.210 1.00 0.00 C ATOM 586 O ALA A 39 8.339 -5.778 -5.146 1.00 0.00 O ATOM 587 CB ALA A 39 7.801 -7.100 -8.232 1.00 0.00 C ATOM 0 H ALA A 39 8.875 -5.156 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 39 7.187 -5.339 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.324 -7.785 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.123 -6.900 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.718 -7.550 -8.613 1.00 0.00 H new ATOM 593 N PRO A 40 10.195 -6.426 -6.231 1.00 0.00 N ATOM 594 CA PRO A 40 10.976 -6.589 -5.010 1.00 0.00 C ATOM 595 C PRO A 40 10.963 -5.312 -4.162 1.00 0.00 C ATOM 596 O PRO A 40 10.814 -5.388 -2.945 1.00 0.00 O ATOM 597 CB PRO A 40 12.392 -6.980 -5.450 1.00 0.00 C ATOM 598 CG PRO A 40 12.458 -6.550 -6.915 1.00 0.00 C ATOM 599 CD PRO A 40 11.019 -6.754 -7.384 1.00 0.00 C ATOM 0 HA PRO A 40 10.551 -7.362 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.150 -6.474 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.562 -8.051 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.776 -5.513 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.161 -7.158 -7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.785 -6.110 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.852 -7.781 -7.709 1.00 0.00 H new ATOM 607 N ILE A 41 11.075 -4.136 -4.790 1.00 0.00 N ATOM 608 CA ILE A 41 11.023 -2.873 -4.065 1.00 0.00 C ATOM 609 C ILE A 41 9.671 -2.776 -3.348 1.00 0.00 C ATOM 610 O ILE A 41 9.625 -2.552 -2.142 1.00 0.00 O ATOM 611 CB ILE A 41 11.283 -1.667 -4.991 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.576 -1.853 -5.811 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.382 -0.391 -4.142 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.862 -0.671 -6.743 1.00 0.00 C ATOM 0 H ILE A 41 11.202 -4.038 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 41 11.821 -2.848 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 41 10.453 -1.586 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.417 -1.985 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.498 -2.766 -6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.566 0.465 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.448 -0.241 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.202 -0.490 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.784 -0.857 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.037 -0.553 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.970 0.239 -6.153 1.00 0.00 H new ATOM 626 N LEU A 42 8.568 -2.974 -4.076 1.00 0.00 N ATOM 627 CA LEU A 42 7.228 -2.945 -3.504 1.00 0.00 C ATOM 628 C LEU A 42 7.115 -3.944 -2.348 1.00 0.00 C ATOM 629 O LEU A 42 6.523 -3.621 -1.322 1.00 0.00 O ATOM 630 CB LEU A 42 6.166 -3.209 -4.580 1.00 0.00 C ATOM 631 CG LEU A 42 6.059 -2.091 -5.631 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.271 -2.600 -6.841 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.345 -0.855 -5.070 1.00 0.00 C ATOM 0 H LEU A 42 8.584 -3.159 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 42 7.046 -1.948 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.397 -4.148 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.197 -3.336 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 42 7.072 -1.809 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.195 -1.807 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.785 -3.458 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.271 -2.898 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.288 -0.086 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.338 -1.128 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.901 -0.471 -4.215 1.00 0.00 H new ATOM 645 N ASP A 43 7.689 -5.144 -2.488 1.00 0.00 N ATOM 646 CA ASP A 43 7.671 -6.147 -1.426 1.00 0.00 C ATOM 647 C ASP A 43 8.388 -5.593 -0.193 1.00 0.00 C ATOM 648 O ASP A 43 7.838 -5.572 0.907 1.00 0.00 O ATOM 649 CB ASP A 43 8.320 -7.459 -1.892 1.00 0.00 C ATOM 650 CG ASP A 43 7.589 -8.126 -3.056 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.345 -8.199 -2.989 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.292 -8.579 -3.984 1.00 0.00 O ATOM 0 H ASP A 43 8.174 -5.442 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 43 6.636 -6.370 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.350 -7.260 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.358 -8.153 -1.053 1.00 0.00 H new ATOM 657 N GLU A 44 9.618 -5.109 -0.374 1.00 0.00 N ATOM 658 CA GLU A 44 10.402 -4.522 0.703 1.00 0.00 C ATOM 659 C GLU A 44 9.597 -3.419 1.395 1.00 0.00 C ATOM 660 O GLU A 44 9.488 -3.411 2.618 1.00 0.00 O ATOM 661 CB GLU A 44 11.719 -3.978 0.146 1.00 0.00 C ATOM 662 CG GLU A 44 12.634 -5.103 -0.360 1.00 0.00 C ATOM 663 CD GLU A 44 13.641 -4.597 -1.392 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.003 -3.401 -1.302 1.00 0.00 O ATOM 665 OE2 GLU A 44 14.029 -5.411 -2.255 1.00 0.00 O ATOM 0 H GLU A 44 10.096 -5.115 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 44 10.633 -5.287 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.510 -3.285 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.235 -3.411 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.167 -5.544 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.027 -5.893 -0.802 1.00 0.00 H new ATOM 672 N ILE A 45 9.009 -2.511 0.614 1.00 0.00 N ATOM 673 CA ILE A 45 8.163 -1.444 1.135 1.00 0.00 C ATOM 674 C ILE A 45 7.019 -2.047 1.954 1.00 0.00 C ATOM 675 O ILE A 45 6.782 -1.615 3.079 1.00 0.00 O ATOM 676 CB ILE A 45 7.645 -0.571 -0.022 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.768 0.228 -0.708 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.506 0.362 0.408 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.381 1.353 0.126 1.00 0.00 C ATOM 0 H ILE A 45 9.109 -2.498 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 45 8.743 -0.800 1.796 1.00 0.00 H new ATOM 0 HB ILE A 45 7.241 -1.270 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.561 -0.464 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.374 0.656 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.179 0.954 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.670 -0.231 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.858 1.027 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.161 1.850 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.607 2.075 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.813 0.937 1.036 1.00 0.00 H new ATOM 691 N ALA A 46 6.315 -3.040 1.401 1.00 0.00 N ATOM 692 CA ALA A 46 5.208 -3.708 2.072 1.00 0.00 C ATOM 693 C ALA A 46 5.646 -4.206 3.444 1.00 0.00 C ATOM 694 O ALA A 46 4.942 -4.009 4.429 1.00 0.00 O ATOM 695 CB ALA A 46 4.674 -4.864 1.219 1.00 0.00 C ATOM 0 H ALA A 46 6.504 -3.402 0.466 1.00 0.00 H new ATOM 0 HA ALA A 46 4.400 -2.989 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.848 -5.349 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.324 -4.478 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.470 -5.588 1.049 1.00 0.00 H new ATOM 701 N ASP A 47 6.818 -4.843 3.506 1.00 0.00 N ATOM 702 CA ASP A 47 7.353 -5.347 4.759 1.00 0.00 C ATOM 703 C ASP A 47 7.678 -4.186 5.710 1.00 0.00 C ATOM 704 O ASP A 47 7.154 -4.115 6.818 1.00 0.00 O ATOM 705 CB ASP A 47 8.574 -6.224 4.462 1.00 0.00 C ATOM 706 CG ASP A 47 8.979 -7.041 5.681 1.00 0.00 C ATOM 707 OD1 ASP A 47 9.678 -6.469 6.543 1.00 0.00 O ATOM 708 OD2 ASP A 47 8.583 -8.228 5.719 1.00 0.00 O ATOM 0 H ASP A 47 7.412 -5.019 2.696 1.00 0.00 H new ATOM 0 HA ASP A 47 6.610 -5.963 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.350 -6.893 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.408 -5.596 4.149 1.00 0.00 H new ATOM 713 N GLU A 48 8.534 -3.261 5.264 1.00 0.00 N ATOM 714 CA GLU A 48 8.975 -2.097 6.023 1.00 0.00 C ATOM 715 C GLU A 48 7.810 -1.327 6.645 1.00 0.00 C ATOM 716 O GLU A 48 7.828 -1.010 7.830 1.00 0.00 O ATOM 717 CB GLU A 48 9.771 -1.173 5.093 1.00 0.00 C ATOM 718 CG GLU A 48 11.156 -1.737 4.749 1.00 0.00 C ATOM 719 CD GLU A 48 11.797 -0.998 3.577 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.511 0.211 3.426 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.569 -1.657 2.847 1.00 0.00 O ATOM 0 H GLU A 48 8.950 -3.308 4.334 1.00 0.00 H new ATOM 0 HA GLU A 48 9.598 -2.448 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.208 -1.016 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.887 -0.198 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.804 -1.665 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.067 -2.796 4.505 1.00 0.00 H new ATOM 728 N TYR A 49 6.810 -1.008 5.826 1.00 0.00 N ATOM 729 CA TYR A 49 5.642 -0.243 6.237 1.00 0.00 C ATOM 730 C TYR A 49 4.476 -1.152 6.652 1.00 0.00 C ATOM 731 O TYR A 49 3.337 -0.687 6.665 1.00 0.00 O ATOM 732 CB TYR A 49 5.232 0.705 5.099 1.00 0.00 C ATOM 733 CG TYR A 49 6.156 1.882 4.838 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.276 1.742 3.997 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.803 3.160 5.313 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.011 2.876 3.600 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.545 4.288 4.929 1.00 0.00 C ATOM 738 CZ TYR A 49 7.634 4.151 4.055 1.00 0.00 C ATOM 739 OH TYR A 49 8.300 5.267 3.644 1.00 0.00 O ATOM 0 H TYR A 49 6.791 -1.280 4.843 1.00 0.00 H new ATOM 0 HA TYR A 49 5.904 0.343 7.118 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.152 0.123 4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.237 1.093 5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.573 0.762 3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.958 3.273 5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.864 2.766 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.277 5.263 5.307 1.00 0.00 H new ATOM 0 HH TYR A 49 7.900 6.059 4.060 1.00 0.00 H new ATOM 749 N GLN A 50 4.717 -2.421 7.002 1.00 0.00 N ATOM 750 CA GLN A 50 3.658 -3.336 7.405 1.00 0.00 C ATOM 751 C GLN A 50 2.898 -2.788 8.619 1.00 0.00 C ATOM 752 O GLN A 50 3.363 -2.918 9.751 1.00 0.00 O ATOM 753 CB GLN A 50 4.270 -4.714 7.698 1.00 0.00 C ATOM 754 CG GLN A 50 3.217 -5.753 8.114 1.00 0.00 C ATOM 755 CD GLN A 50 3.535 -6.401 9.458 1.00 0.00 C ATOM 756 OE1 GLN A 50 3.661 -7.617 9.549 1.00 0.00 O ATOM 757 NE2 GLN A 50 3.666 -5.605 10.515 1.00 0.00 N ATOM 0 H GLN A 50 5.649 -2.835 7.012 1.00 0.00 H new ATOM 0 HA GLN A 50 2.935 -3.437 6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.795 -5.070 6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.012 -4.617 8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.240 -5.274 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.151 -6.526 7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.556 -4.596 10.411 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.877 -6.003 11.430 1.00 0.00 H new ATOM 766 N GLY A 51 1.729 -2.185 8.382 1.00 0.00 N ATOM 767 CA GLY A 51 0.879 -1.592 9.409 1.00 0.00 C ATOM 768 C GLY A 51 0.675 -0.095 9.165 1.00 0.00 C ATOM 769 O GLY A 51 -0.319 0.473 9.608 1.00 0.00 O ATOM 0 H GLY A 51 1.341 -2.096 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.087 -2.096 9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.329 -1.745 10.390 1.00 0.00 H new ATOM 773 N LYS A 52 1.603 0.535 8.438 1.00 0.00 N ATOM 774 CA LYS A 52 1.563 1.947 8.089 1.00 0.00 C ATOM 775 C LYS A 52 1.036 2.111 6.662 1.00 0.00 C ATOM 776 O LYS A 52 0.312 3.064 6.380 1.00 0.00 O ATOM 777 CB LYS A 52 2.972 2.544 8.193 1.00 0.00 C ATOM 778 CG LYS A 52 3.513 2.505 9.628 1.00 0.00 C ATOM 779 CD LYS A 52 4.958 3.022 9.711 1.00 0.00 C ATOM 780 CE LYS A 52 5.141 4.467 9.222 1.00 0.00 C ATOM 781 NZ LYS A 52 4.252 5.407 9.925 1.00 0.00 N ATOM 0 H LYS A 52 2.425 0.057 8.068 1.00 0.00 H new ATOM 0 HA LYS A 52 0.900 2.470 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.647 1.994 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.955 3.575 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.874 3.108 10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.471 1.483 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.297 2.955 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.600 2.367 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.178 4.770 9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.944 4.514 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.468 6.379 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.262 5.186 9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.398 5.321 10.951 1.00 0.00 H new ATOM 795 N LEU A 53 1.399 1.190 5.763 1.00 0.00 N ATOM 796 CA LEU A 53 0.990 1.208 4.369 1.00 0.00 C ATOM 797 C LEU A 53 0.637 -0.213 3.950 1.00 0.00 C ATOM 798 O LEU A 53 1.336 -1.157 4.307 1.00 0.00 O ATOM 799 CB LEU A 53 2.157 1.718 3.515 1.00 0.00 C ATOM 800 CG LEU A 53 1.806 1.939 2.036 1.00 0.00 C ATOM 801 CD1 LEU A 53 0.995 3.224 1.854 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.111 2.040 1.248 1.00 0.00 C ATOM 0 H LEU A 53 1.998 0.398 5.997 1.00 0.00 H new ATOM 0 HA LEU A 53 0.127 1.860 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.517 2.657 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.978 1.004 3.579 1.00 0.00 H new ATOM 0 HG LEU A 53 1.202 1.106 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.759 3.359 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.070 3.155 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.578 4.075 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.888 2.197 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.699 2.878 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.679 1.117 1.365 1.00 0.00 H new ATOM 814 N THR A 54 -0.438 -0.357 3.178 1.00 0.00 N ATOM 815 CA THR A 54 -0.891 -1.624 2.638 1.00 0.00 C ATOM 816 C THR A 54 -0.563 -1.609 1.144 1.00 0.00 C ATOM 817 O THR A 54 -1.255 -0.969 0.354 1.00 0.00 O ATOM 818 CB THR A 54 -2.385 -1.754 2.947 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.557 -1.786 4.348 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.020 -3.009 2.347 1.00 0.00 C ATOM 0 H THR A 54 -1.029 0.429 2.907 1.00 0.00 H new ATOM 0 HA THR A 54 -0.402 -2.494 3.076 1.00 0.00 H new ATOM 0 HB THR A 54 -2.882 -0.895 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.511 -1.867 4.559 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.079 -3.039 2.604 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.910 -2.990 1.263 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.524 -3.894 2.746 1.00 0.00 H new ATOM 828 N VAL A 55 0.503 -2.298 0.736 1.00 0.00 N ATOM 829 CA VAL A 55 0.868 -2.335 -0.670 1.00 0.00 C ATOM 830 C VAL A 55 -0.049 -3.346 -1.353 1.00 0.00 C ATOM 831 O VAL A 55 -0.333 -4.416 -0.812 1.00 0.00 O ATOM 832 CB VAL A 55 2.350 -2.698 -0.832 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.756 -2.748 -2.308 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.255 -1.667 -0.148 1.00 0.00 C ATOM 0 H VAL A 55 1.118 -2.829 1.353 1.00 0.00 H new ATOM 0 HA VAL A 55 0.741 -1.357 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 55 2.473 -3.678 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.812 -3.008 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.158 -3.499 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.587 -1.773 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.298 -1.953 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.089 -0.685 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.023 -1.628 0.916 1.00 0.00 H new ATOM 844 N ALA A 56 -0.525 -3.003 -2.543 1.00 0.00 N ATOM 845 CA ALA A 56 -1.408 -3.830 -3.330 1.00 0.00 C ATOM 846 C ALA A 56 -0.922 -3.826 -4.773 1.00 0.00 C ATOM 847 O ALA A 56 -0.271 -2.882 -5.216 1.00 0.00 O ATOM 848 CB ALA A 56 -2.840 -3.304 -3.206 1.00 0.00 C ATOM 0 H ALA A 56 -0.297 -2.116 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.403 -4.859 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.509 -3.927 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.149 -3.333 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.883 -2.277 -3.569 1.00 0.00 H new ATOM 854 N LYS A 57 -1.242 -4.886 -5.506 1.00 0.00 N ATOM 855 CA LYS A 57 -0.924 -5.053 -6.908 1.00 0.00 C ATOM 856 C LYS A 57 -2.199 -5.434 -7.642 1.00 0.00 C ATOM 857 O LYS A 57 -3.035 -6.151 -7.093 1.00 0.00 O ATOM 858 CB LYS A 57 0.131 -6.146 -7.085 1.00 0.00 C ATOM 859 CG LYS A 57 1.566 -5.622 -7.072 1.00 0.00 C ATOM 860 CD LYS A 57 2.492 -6.837 -7.215 1.00 0.00 C ATOM 861 CE LYS A 57 3.968 -6.476 -7.357 1.00 0.00 C ATOM 862 NZ LYS A 57 4.235 -5.636 -8.539 1.00 0.00 N ATOM 0 H LYS A 57 -1.750 -5.681 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.521 -4.124 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.015 -6.883 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.049 -6.663 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.726 -4.918 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.772 -5.088 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.368 -7.481 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.184 -7.416 -8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.298 -5.951 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.557 -7.391 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.261 -5.504 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.855 -6.101 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.778 -4.710 -8.417 1.00 0.00 H new ATOM 876 N LEU A 58 -2.333 -4.966 -8.884 1.00 0.00 N ATOM 877 CA LEU A 58 -3.474 -5.279 -9.727 1.00 0.00 C ATOM 878 C LEU A 58 -2.967 -5.569 -11.134 1.00 0.00 C ATOM 879 O LEU A 58 -2.308 -4.730 -11.749 1.00 0.00 O ATOM 880 CB LEU A 58 -4.484 -4.131 -9.653 1.00 0.00 C ATOM 881 CG LEU A 58 -5.804 -4.461 -10.370 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.951 -3.775 -9.630 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.792 -3.964 -11.822 1.00 0.00 C ATOM 0 H LEU A 58 -1.647 -4.357 -9.330 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.001 -6.171 -9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.690 -3.899 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.046 -3.237 -10.097 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.930 -5.544 -10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.893 -4.002 -10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.989 -4.136 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.791 -2.697 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.739 -4.213 -12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.652 -2.883 -11.835 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.976 -4.442 -12.363 1.00 0.00 H new ATOM 895 N ASN A 59 -3.256 -6.774 -11.638 1.00 0.00 N ATOM 896 CA ASN A 59 -2.845 -7.180 -12.971 1.00 0.00 C ATOM 897 C ASN A 59 -3.878 -6.668 -13.975 1.00 0.00 C ATOM 898 O ASN A 59 -5.015 -7.148 -13.986 1.00 0.00 O ATOM 899 CB ASN A 59 -2.695 -8.697 -13.057 1.00 0.00 C ATOM 900 CG ASN A 59 -2.226 -9.052 -14.462 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.026 -9.085 -15.392 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.929 -9.264 -14.645 1.00 0.00 N ATOM 0 H ASN A 59 -3.779 -7.487 -11.130 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.870 -6.750 -13.203 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.977 -9.050 -12.317 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.645 -9.186 -12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.571 -9.461 -15.580 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.290 -9.230 -13.851 1.00 0.00 H new ATOM 909 N ILE A 60 -3.497 -5.688 -14.792 1.00 0.00 N ATOM 910 CA ILE A 60 -4.388 -5.048 -15.750 1.00 0.00 C ATOM 911 C ILE A 60 -4.838 -5.979 -16.873 1.00 0.00 C ATOM 912 O ILE A 60 -5.944 -5.823 -17.378 1.00 0.00 O ATOM 913 CB ILE A 60 -3.779 -3.741 -16.286 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.521 -3.967 -17.143 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.464 -2.803 -15.115 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.821 -3.955 -18.646 1.00 0.00 C ATOM 0 H ILE A 60 -2.548 -5.313 -14.805 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.298 -4.793 -15.206 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.521 -3.286 -16.943 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.788 -3.193 -16.917 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.070 -4.922 -16.874 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.033 -1.877 -15.496 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.382 -2.579 -14.571 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.753 -3.285 -14.444 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.898 -4.119 -19.203 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.532 -4.747 -18.881 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.246 -2.991 -18.924 1.00 0.00 H new ATOM 928 N ASP A 61 -4.016 -6.948 -17.286 1.00 0.00 N ATOM 929 CA ASP A 61 -4.408 -7.863 -18.357 1.00 0.00 C ATOM 930 C ASP A 61 -5.624 -8.664 -17.907 1.00 0.00 C ATOM 931 O ASP A 61 -6.595 -8.812 -18.643 1.00 0.00 O ATOM 932 CB ASP A 61 -3.257 -8.796 -18.744 1.00 0.00 C ATOM 933 CG ASP A 61 -2.034 -8.014 -19.200 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.384 -7.434 -18.307 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.774 -7.988 -20.424 1.00 0.00 O ATOM 0 H ASP A 61 -3.087 -7.117 -16.900 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.662 -7.281 -19.243 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.993 -9.422 -17.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.581 -9.464 -19.542 1.00 0.00 H new ATOM 940 N GLN A 62 -5.562 -9.166 -16.674 1.00 0.00 N ATOM 941 CA GLN A 62 -6.647 -9.909 -16.059 1.00 0.00 C ATOM 942 C GLN A 62 -7.799 -8.962 -15.706 1.00 0.00 C ATOM 943 O GLN A 62 -8.962 -9.347 -15.786 1.00 0.00 O ATOM 944 CB GLN A 62 -6.125 -10.612 -14.799 1.00 0.00 C ATOM 945 CG GLN A 62 -5.083 -11.690 -15.125 1.00 0.00 C ATOM 946 CD GLN A 62 -4.424 -12.203 -13.851 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.278 -11.876 -13.557 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.146 -13.001 -13.069 1.00 0.00 N ATOM 0 H GLN A 62 -4.745 -9.064 -16.072 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.021 -10.657 -16.758 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.684 -9.873 -14.130 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.960 -11.066 -14.266 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.560 -12.516 -15.652 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.325 -11.281 -15.793 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.096 -13.256 -13.339 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.750 -13.358 -12.200 1.00 0.00 H new ATOM 957 N ASN A 63 -7.469 -7.741 -15.273 1.00 0.00 N ATOM 958 CA ASN A 63 -8.433 -6.745 -14.805 1.00 0.00 C ATOM 959 C ASN A 63 -8.335 -5.444 -15.608 1.00 0.00 C ATOM 960 O ASN A 63 -7.899 -4.427 -15.070 1.00 0.00 O ATOM 961 CB ASN A 63 -8.169 -6.464 -13.321 1.00 0.00 C ATOM 962 CG ASN A 63 -8.179 -7.727 -12.476 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.224 -8.138 -11.978 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.012 -8.342 -12.305 1.00 0.00 N ATOM 0 H ASN A 63 -6.504 -7.413 -15.238 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.439 -7.140 -14.944 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.204 -5.968 -13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.925 -5.774 -12.946 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.960 -9.191 -11.741 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.169 -7.965 -12.738 1.00 0.00 H new ATOM 971 N PRO A 64 -8.742 -5.434 -16.887 1.00 0.00 N ATOM 972 CA PRO A 64 -8.647 -4.243 -17.716 1.00 0.00 C ATOM 973 C PRO A 64 -9.535 -3.125 -17.175 1.00 0.00 C ATOM 974 O PRO A 64 -9.091 -1.987 -17.055 1.00 0.00 O ATOM 975 CB PRO A 64 -9.042 -4.692 -19.127 1.00 0.00 C ATOM 976 CG PRO A 64 -9.893 -5.943 -18.902 1.00 0.00 C ATOM 977 CD PRO A 64 -9.284 -6.553 -17.639 1.00 0.00 C ATOM 0 HA PRO A 64 -7.642 -3.821 -17.720 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.604 -3.917 -19.648 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.164 -4.912 -19.735 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.945 -5.695 -18.763 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.836 -6.627 -19.748 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.037 -7.087 -17.059 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.504 -7.273 -17.888 1.00 0.00 H new ATOM 985 N GLY A 65 -10.789 -3.458 -16.849 1.00 0.00 N ATOM 986 CA GLY A 65 -11.808 -2.540 -16.353 1.00 0.00 C ATOM 987 C GLY A 65 -11.312 -1.522 -15.325 1.00 0.00 C ATOM 988 O GLY A 65 -11.760 -0.378 -15.331 1.00 0.00 O ATOM 0 H GLY A 65 -11.131 -4.416 -16.929 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.234 -2.002 -17.199 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.614 -3.122 -15.907 1.00 0.00 H new ATOM 992 N THR A 66 -10.409 -1.918 -14.426 1.00 0.00 N ATOM 993 CA THR A 66 -9.920 -1.039 -13.376 1.00 0.00 C ATOM 994 C THR A 66 -8.978 0.060 -13.882 1.00 0.00 C ATOM 995 O THR A 66 -8.819 1.075 -13.208 1.00 0.00 O ATOM 996 CB THR A 66 -9.256 -1.882 -12.279 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.840 -3.168 -12.242 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.434 -1.221 -10.911 1.00 0.00 C ATOM 0 H THR A 66 -10.001 -2.853 -14.410 1.00 0.00 H new ATOM 0 HA THR A 66 -10.781 -0.510 -12.968 1.00 0.00 H new ATOM 0 HB THR A 66 -8.193 -1.961 -12.506 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.814 -3.083 -12.177 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.957 -1.833 -10.146 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.976 -0.232 -10.922 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.497 -1.126 -10.688 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.330 -0.122 -15.036 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.371 0.861 -15.536 1.00 0.00 C ATOM 1008 C ALA A 67 -8.034 2.156 -16.048 1.00 0.00 C ATOM 1009 O ALA A 67 -7.686 3.234 -15.554 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.369 0.207 -16.494 1.00 0.00 C ATOM 0 H ALA A 67 -8.452 -0.937 -15.637 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.778 1.217 -14.693 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.665 0.958 -16.853 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.825 -0.579 -15.970 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.903 -0.224 -17.341 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.984 2.105 -17.004 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.684 3.284 -17.502 1.00 0.00 C ATOM 1018 C PRO A 68 -10.248 4.176 -16.392 1.00 0.00 C ATOM 1019 O PRO A 68 -10.220 5.396 -16.536 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.812 2.763 -18.395 1.00 0.00 C ATOM 1021 CG PRO A 68 -10.250 1.445 -18.911 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.472 0.927 -17.701 1.00 0.00 C ATOM 0 HA PRO A 68 -8.983 3.919 -18.043 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.736 2.618 -17.836 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.036 3.453 -19.208 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.039 0.756 -19.212 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.605 1.589 -19.778 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.112 0.328 -17.053 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.646 0.288 -18.013 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.747 3.581 -15.299 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.314 4.302 -14.159 1.00 0.00 C ATOM 1032 C LYS A 69 -10.460 5.507 -13.757 1.00 0.00 C ATOM 1033 O LYS A 69 -10.998 6.575 -13.472 1.00 0.00 O ATOM 1034 CB LYS A 69 -11.447 3.376 -12.942 1.00 0.00 C ATOM 1035 CG LYS A 69 -12.493 2.272 -13.126 1.00 0.00 C ATOM 1036 CD LYS A 69 -12.618 1.465 -11.825 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.564 0.273 -12.014 1.00 0.00 C ATOM 1038 NZ LYS A 69 -13.645 -0.552 -10.794 1.00 0.00 N ATOM 0 H LYS A 69 -10.766 2.568 -15.184 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.296 4.655 -14.475 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.479 2.918 -12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.710 3.973 -12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.456 2.709 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.205 1.616 -13.947 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.635 1.110 -11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.990 2.108 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.558 0.634 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.217 -0.340 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.329 -1.519 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.035 -0.143 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.628 -0.576 -10.456 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.138 5.321 -13.726 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.190 6.363 -13.355 1.00 0.00 C ATOM 1054 C TYR A 70 -7.253 6.681 -14.527 1.00 0.00 C ATOM 1055 O TYR A 70 -6.109 7.074 -14.314 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.433 5.920 -12.096 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.333 5.458 -10.966 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -8.992 6.402 -10.160 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -8.561 4.083 -10.760 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -9.883 5.979 -9.159 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -9.455 3.659 -9.763 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.128 4.608 -8.974 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.011 4.192 -8.023 1.00 0.00 O ATOM 0 H TYR A 70 -8.696 4.432 -13.961 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.717 7.289 -13.125 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.753 5.110 -12.360 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.820 6.749 -11.743 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.813 7.456 -10.310 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.048 3.354 -11.369 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.378 6.706 -8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.625 2.605 -9.603 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.420 3.347 -8.304 1.00 0.00 H new ATOM 1073 N GLY A 71 -7.740 6.514 -15.763 1.00 0.00 N ATOM 1074 CA GLY A 71 -6.998 6.776 -16.989 1.00 0.00 C ATOM 1075 C GLY A 71 -5.609 6.136 -16.990 1.00 0.00 C ATOM 1076 O GLY A 71 -4.640 6.743 -17.447 1.00 0.00 O ATOM 0 H GLY A 71 -8.689 6.183 -15.936 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.567 6.400 -17.840 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.897 7.853 -17.124 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.495 4.904 -16.488 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.212 4.223 -16.415 1.00 0.00 C ATOM 1082 C ILE A 72 -3.879 3.669 -17.799 1.00 0.00 C ATOM 1083 O ILE A 72 -4.096 2.492 -18.085 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.219 3.175 -15.288 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.597 3.884 -13.976 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -2.850 2.490 -15.167 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -4.610 2.960 -12.764 1.00 0.00 C ATOM 0 H ILE A 72 -6.280 4.362 -16.127 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.411 4.912 -16.147 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.948 2.396 -15.511 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.892 4.696 -13.796 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.582 4.336 -14.088 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.881 1.754 -14.364 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.608 1.992 -16.106 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.088 3.237 -14.945 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.885 3.529 -11.876 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.335 2.162 -12.923 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.619 2.527 -12.626 1.00 0.00 H new ATOM 1099 N ARG A 73 -3.397 4.550 -18.679 1.00 0.00 N ATOM 1100 CA ARG A 73 -3.030 4.212 -20.053 1.00 0.00 C ATOM 1101 C ARG A 73 -1.570 3.752 -20.149 1.00 0.00 C ATOM 1102 O ARG A 73 -1.128 3.339 -21.217 1.00 0.00 O ATOM 1103 CB ARG A 73 -3.290 5.411 -20.981 1.00 0.00 C ATOM 1104 CG ARG A 73 -4.704 6.017 -20.932 1.00 0.00 C ATOM 1105 CD ARG A 73 -5.823 5.044 -21.324 1.00 0.00 C ATOM 1106 NE ARG A 73 -6.046 4.043 -20.276 1.00 0.00 N ATOM 1107 CZ ARG A 73 -6.615 2.846 -20.453 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -7.393 2.618 -21.517 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -6.374 1.879 -19.563 1.00 0.00 N ATOM 0 H ARG A 73 -3.249 5.533 -18.452 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.654 3.378 -20.375 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.573 6.195 -20.736 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.086 5.101 -22.006 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.894 6.384 -19.923 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.740 6.880 -21.597 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.744 5.598 -21.503 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.564 4.545 -22.258 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.741 4.280 -19.332 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.555 3.359 -22.199 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.824 1.703 -21.647 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.765 2.060 -18.765 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.799 0.959 -19.681 1.00 0.00 H new ATOM 1123 N GLY A 74 -0.823 3.809 -19.041 1.00 0.00 N ATOM 1124 CA GLY A 74 0.564 3.383 -18.943 1.00 0.00 C ATOM 1125 C GLY A 74 0.771 2.722 -17.583 1.00 0.00 C ATOM 1126 O GLY A 74 -0.037 2.932 -16.674 1.00 0.00 O ATOM 0 H GLY A 74 -1.188 4.168 -18.159 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.803 2.684 -19.744 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.232 4.237 -19.055 1.00 0.00 H new ATOM 1130 N ILE A 75 1.836 1.929 -17.445 1.00 0.00 N ATOM 1131 CA ILE A 75 2.197 1.196 -16.238 1.00 0.00 C ATOM 1132 C ILE A 75 3.734 1.115 -16.180 1.00 0.00 C ATOM 1133 O ILE A 75 4.358 1.225 -17.236 1.00 0.00 O ATOM 1134 CB ILE A 75 1.546 -0.204 -16.258 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.821 -0.937 -17.585 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.038 -0.118 -15.976 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.316 -2.379 -17.560 1.00 0.00 C ATOM 0 H ILE A 75 2.497 1.776 -18.207 1.00 0.00 H new ATOM 0 HA ILE A 75 1.832 1.703 -15.345 1.00 0.00 H new ATOM 0 HB ILE A 75 2.004 -0.789 -15.460 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.340 -0.399 -18.402 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.892 -0.932 -17.786 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.394 -1.119 -15.996 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.124 0.327 -14.994 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.440 0.499 -16.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.531 -2.857 -18.516 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.816 -2.926 -16.760 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.240 -2.385 -17.386 1.00 0.00 H new ATOM 1149 N PRO A 76 4.370 0.935 -15.006 1.00 0.00 N ATOM 1150 CA PRO A 76 3.761 0.809 -13.690 1.00 0.00 C ATOM 1151 C PRO A 76 3.137 2.134 -13.276 1.00 0.00 C ATOM 1152 O PRO A 76 3.661 3.194 -13.609 1.00 0.00 O ATOM 1153 CB PRO A 76 4.893 0.437 -12.728 1.00 0.00 C ATOM 1154 CG PRO A 76 6.140 0.998 -13.410 1.00 0.00 C ATOM 1155 CD PRO A 76 5.817 0.864 -14.898 1.00 0.00 C ATOM 0 HA PRO A 76 2.973 0.056 -13.686 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.743 0.877 -11.742 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.963 -0.642 -12.588 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.320 2.036 -13.129 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.034 0.435 -13.140 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.290 1.661 -15.472 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.191 -0.080 -15.294 1.00 0.00 H new ATOM 1163 N THR A 77 2.018 2.055 -12.561 1.00 0.00 N ATOM 1164 CA THR A 77 1.295 3.216 -12.079 1.00 0.00 C ATOM 1165 C THR A 77 0.853 2.888 -10.657 1.00 0.00 C ATOM 1166 O THR A 77 0.230 1.849 -10.435 1.00 0.00 O ATOM 1167 CB THR A 77 0.152 3.544 -13.047 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.714 3.982 -14.267 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.741 4.656 -12.505 1.00 0.00 C ATOM 0 H THR A 77 1.587 1.168 -12.300 1.00 0.00 H new ATOM 0 HA THR A 77 1.901 4.121 -12.044 1.00 0.00 H new ATOM 0 HB THR A 77 -0.454 2.648 -13.181 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.314 3.482 -15.009 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.540 4.861 -13.218 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.174 4.344 -11.555 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.148 5.558 -12.355 1.00 0.00 H new ATOM 1177 N LEU A 78 1.229 3.749 -9.711 1.00 0.00 N ATOM 1178 CA LEU A 78 1.007 3.589 -8.287 1.00 0.00 C ATOM 1179 C LEU A 78 -0.067 4.576 -7.840 1.00 0.00 C ATOM 1180 O LEU A 78 0.167 5.781 -7.916 1.00 0.00 O ATOM 1181 CB LEU A 78 2.321 3.873 -7.534 1.00 0.00 C ATOM 1182 CG LEU A 78 3.565 3.150 -8.079 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.787 3.535 -7.236 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.393 1.631 -8.046 1.00 0.00 C ATOM 0 H LEU A 78 1.719 4.615 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 78 0.681 2.572 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.507 4.947 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.188 3.594 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 78 3.704 3.455 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.670 3.024 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.940 4.613 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.621 3.242 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.291 1.154 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.229 1.306 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.536 1.349 -8.657 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.221 4.091 -7.373 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.300 4.931 -6.857 1.00 0.00 C ATOM 1198 C LEU A 79 -2.302 4.787 -5.338 1.00 0.00 C ATOM 1199 O LEU A 79 -2.548 3.690 -4.835 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.666 4.502 -7.408 1.00 0.00 C ATOM 1201 CG LEU A 79 -4.033 5.122 -8.761 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -3.062 4.727 -9.872 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.460 4.728 -9.145 1.00 0.00 C ATOM 0 H LEU A 79 -1.432 3.094 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.133 5.963 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.679 3.416 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.435 4.766 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.965 6.204 -8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.370 5.194 -10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.057 5.061 -9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.065 3.643 -9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.714 5.172 -10.107 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.531 3.643 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.154 5.088 -8.385 1.00 0.00 H new ATOM 1215 N LEU A 80 -2.037 5.879 -4.616 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.021 5.889 -3.164 1.00 0.00 C ATOM 1217 C LEU A 80 -3.373 6.387 -2.657 1.00 0.00 C ATOM 1218 O LEU A 80 -3.657 7.584 -2.695 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.839 6.734 -2.674 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.768 6.880 -1.148 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.815 5.537 -0.413 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.531 7.603 -0.792 1.00 0.00 C ATOM 0 H LEU A 80 -1.827 6.786 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.877 4.886 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.088 6.284 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.904 7.726 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.644 7.445 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.761 5.709 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.746 5.024 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.029 4.922 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.600 7.716 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.381 7.022 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.540 8.587 -1.261 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.196 5.456 -2.176 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.515 5.700 -1.621 1.00 0.00 C ATOM 1236 C PHE A 81 -5.406 5.825 -0.103 1.00 0.00 C ATOM 1237 O PHE A 81 -5.035 4.856 0.553 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.443 4.525 -1.958 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.820 4.413 -3.420 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -6.023 3.662 -4.304 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.022 4.984 -3.877 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.445 3.460 -5.629 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.439 4.786 -5.202 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.637 4.046 -6.087 1.00 0.00 C ATOM 0 H PHE A 81 -3.944 4.468 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.920 6.619 -2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.959 3.598 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.355 4.620 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.088 3.241 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.626 5.577 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.852 2.853 -6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.376 5.202 -5.541 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.936 3.928 -7.118 1.00 0.00 H new ATOM 1254 N LYS A 82 -5.774 6.979 0.454 1.00 0.00 N ATOM 1255 CA LYS A 82 -5.835 7.218 1.888 1.00 0.00 C ATOM 1256 C LYS A 82 -7.312 7.371 2.243 1.00 0.00 C ATOM 1257 O LYS A 82 -7.996 8.217 1.665 1.00 0.00 O ATOM 1258 CB LYS A 82 -5.045 8.474 2.274 1.00 0.00 C ATOM 1259 CG LYS A 82 -3.538 8.291 2.045 1.00 0.00 C ATOM 1260 CD LYS A 82 -2.736 9.501 2.548 1.00 0.00 C ATOM 1261 CE LYS A 82 -2.596 9.510 4.078 1.00 0.00 C ATOM 1262 NZ LYS A 82 -1.897 10.719 4.548 1.00 0.00 N ATOM 0 H LYS A 82 -6.044 7.793 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.386 6.391 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.401 9.322 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.228 8.711 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.199 7.391 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.347 8.144 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.745 9.492 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.226 10.419 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.584 9.458 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.049 8.624 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.654 10.611 5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.027 10.855 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.516 11.546 4.429 1.00 0.00 H new ATOM 1276 N ASN A 83 -7.825 6.542 3.158 1.00 0.00 N ATOM 1277 CA ASN A 83 -9.230 6.566 3.564 1.00 0.00 C ATOM 1278 C ASN A 83 -10.134 6.484 2.325 1.00 0.00 C ATOM 1279 O ASN A 83 -11.113 7.211 2.203 1.00 0.00 O ATOM 1280 CB ASN A 83 -9.495 7.811 4.433 1.00 0.00 C ATOM 1281 CG ASN A 83 -10.916 7.884 4.994 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -11.713 8.724 4.590 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -11.244 7.060 5.986 1.00 0.00 N ATOM 0 H ASN A 83 -7.272 5.832 3.639 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.466 5.696 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.787 7.821 5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.303 8.704 3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.166 7.123 6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.574 6.365 6.314 1.00 0.00 H new ATOM 1290 N GLY A 84 -9.784 5.614 1.372 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.536 5.447 0.139 1.00 0.00 C ATOM 1292 C GLY A 84 -10.333 6.564 -0.892 1.00 0.00 C ATOM 1293 O GLY A 84 -10.691 6.377 -2.052 1.00 0.00 O ATOM 0 H GLY A 84 -8.967 5.007 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.256 4.497 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.597 5.384 0.382 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.762 7.711 -0.508 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.566 8.844 -1.401 1.00 0.00 C ATOM 1299 C GLU A 85 -8.170 8.802 -2.022 1.00 0.00 C ATOM 1300 O GLU A 85 -7.187 8.586 -1.319 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.759 10.151 -0.617 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.131 10.231 0.073 1.00 0.00 C ATOM 1303 CD GLU A 85 -12.285 10.078 -0.912 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -12.383 10.949 -1.804 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -13.038 9.091 -0.768 1.00 0.00 O ATOM 0 H GLU A 85 -9.422 7.874 0.440 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.299 8.793 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.974 10.239 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.648 10.997 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.199 9.452 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.221 11.187 0.588 1.00 0.00 H new ATOM 1312 N VAL A 86 -8.073 9.033 -3.333 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.793 9.078 -4.028 1.00 0.00 C ATOM 1314 C VAL A 86 -6.005 10.276 -3.495 1.00 0.00 C ATOM 1315 O VAL A 86 -6.342 11.420 -3.794 1.00 0.00 O ATOM 1316 CB VAL A 86 -7.017 9.179 -5.549 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.680 9.297 -6.293 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.744 7.938 -6.081 1.00 0.00 C ATOM 0 H VAL A 86 -8.879 9.193 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.225 8.165 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.622 10.069 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.865 9.367 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.154 10.190 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.070 8.418 -6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.890 8.035 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.147 7.050 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.713 7.846 -5.591 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.956 10.021 -2.709 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.112 11.064 -2.149 1.00 0.00 C ATOM 1330 C ALA A 87 -3.122 11.539 -3.209 1.00 0.00 C ATOM 1331 O ALA A 87 -2.925 12.740 -3.382 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.382 10.531 -0.915 1.00 0.00 C ATOM 0 H ALA A 87 -4.672 9.078 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.725 11.912 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.751 11.316 -0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.111 10.217 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.763 9.679 -1.198 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.504 10.595 -3.924 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.545 10.894 -4.974 1.00 0.00 C ATOM 1340 C ALA A 88 -1.425 9.694 -5.907 1.00 0.00 C ATOM 1341 O ALA A 88 -1.777 8.572 -5.533 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.188 11.250 -4.363 1.00 0.00 C ATOM 0 H ALA A 88 -2.661 9.597 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.890 11.753 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.523 11.472 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.296 12.123 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.178 10.409 -3.774 1.00 0.00 H new ATOM 1348 N THR A 89 -0.925 9.939 -7.122 1.00 0.00 N ATOM 1349 CA THR A 89 -0.741 8.932 -8.149 1.00 0.00 C ATOM 1350 C THR A 89 0.622 9.146 -8.799 1.00 0.00 C ATOM 1351 O THR A 89 0.893 10.273 -9.215 1.00 0.00 O ATOM 1352 CB THR A 89 -1.846 9.071 -9.204 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.795 10.346 -9.817 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.233 8.932 -8.575 1.00 0.00 C ATOM 0 H THR A 89 -0.632 10.870 -7.417 1.00 0.00 H new ATOM 0 HA THR A 89 -0.791 7.935 -7.712 1.00 0.00 H new ATOM 0 HB THR A 89 -1.680 8.281 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.871 10.672 -9.817 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.995 9.035 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.323 7.953 -8.105 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.371 9.709 -7.823 1.00 0.00 H new ATOM 1362 N LYS A 90 1.449 8.106 -8.923 1.00 0.00 N ATOM 1363 CA LYS A 90 2.751 8.200 -9.572 1.00 0.00 C ATOM 1364 C LYS A 90 2.758 7.251 -10.767 1.00 0.00 C ATOM 1365 O LYS A 90 2.595 6.045 -10.592 1.00 0.00 O ATOM 1366 CB LYS A 90 3.865 7.902 -8.554 1.00 0.00 C ATOM 1367 CG LYS A 90 5.250 8.380 -9.021 1.00 0.00 C ATOM 1368 CD LYS A 90 5.958 7.383 -9.949 1.00 0.00 C ATOM 1369 CE LYS A 90 7.246 7.973 -10.537 1.00 0.00 C ATOM 1370 NZ LYS A 90 6.964 9.019 -11.534 1.00 0.00 N ATOM 0 H LYS A 90 1.230 7.173 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 90 2.939 9.208 -9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.622 8.382 -7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.901 6.829 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.142 9.333 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.877 8.561 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.194 6.474 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.286 7.098 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.854 8.391 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.831 7.178 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.848 9.297 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.295 8.653 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.549 9.847 -11.061 1.00 0.00 H new ATOM 1384 N VAL A 91 2.948 7.792 -11.973 1.00 0.00 N ATOM 1385 CA VAL A 91 3.028 7.036 -13.216 1.00 0.00 C ATOM 1386 C VAL A 91 4.512 6.857 -13.547 1.00 0.00 C ATOM 1387 O VAL A 91 5.270 7.825 -13.487 1.00 0.00 O ATOM 1388 CB VAL A 91 2.291 7.792 -14.338 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.388 7.040 -15.674 1.00 0.00 C ATOM 1390 CG2 VAL A 91 0.808 7.987 -14.000 1.00 0.00 C ATOM 0 H VAL A 91 3.053 8.797 -12.111 1.00 0.00 H new ATOM 0 HA VAL A 91 2.552 6.061 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 91 2.776 8.764 -14.428 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.858 7.599 -16.445 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.435 6.935 -15.957 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.939 6.052 -15.569 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.317 8.524 -14.812 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.334 7.014 -13.869 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.717 8.562 -13.078 1.00 0.00 H new ATOM 1400 N GLY A 92 4.925 5.635 -13.883 1.00 0.00 N ATOM 1401 CA GLY A 92 6.301 5.301 -14.216 1.00 0.00 C ATOM 1402 C GLY A 92 7.053 4.756 -13.002 1.00 0.00 C ATOM 1403 O GLY A 92 6.615 4.901 -11.861 1.00 0.00 O ATOM 0 H GLY A 92 4.294 4.835 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.314 4.561 -15.016 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.811 6.187 -14.594 1.00 0.00 H new ATOM 1407 N ALA A 93 8.197 4.114 -13.256 1.00 0.00 N ATOM 1408 CA ALA A 93 9.043 3.556 -12.211 1.00 0.00 C ATOM 1409 C ALA A 93 9.807 4.674 -11.495 1.00 0.00 C ATOM 1410 O ALA A 93 9.859 5.806 -11.974 1.00 0.00 O ATOM 1411 CB ALA A 93 10.000 2.528 -12.823 1.00 0.00 C ATOM 0 H ALA A 93 8.559 3.969 -14.198 1.00 0.00 H new ATOM 0 HA ALA A 93 8.424 3.051 -11.469 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.634 2.110 -12.041 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.425 1.728 -13.290 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.623 3.013 -13.574 1.00 0.00 H new ATOM 1417 N LEU A 94 10.416 4.350 -10.353 1.00 0.00 N ATOM 1418 CA LEU A 94 11.187 5.271 -9.534 1.00 0.00 C ATOM 1419 C LEU A 94 12.088 4.450 -8.615 1.00 0.00 C ATOM 1420 O LEU A 94 11.859 3.252 -8.449 1.00 0.00 O ATOM 1421 CB LEU A 94 10.263 6.221 -8.752 1.00 0.00 C ATOM 1422 CG LEU A 94 9.459 5.595 -7.596 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.589 6.682 -6.954 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.547 4.439 -8.027 1.00 0.00 C ATOM 0 H LEU A 94 10.382 3.407 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 94 11.809 5.908 -10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.869 7.031 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.560 6.669 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 94 10.188 5.183 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.015 6.251 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.226 7.479 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.907 7.090 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.015 4.052 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.827 4.798 -8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.150 3.645 -8.467 1.00 0.00 H new ATOM 1436 N SER A 95 13.115 5.075 -8.035 1.00 0.00 N ATOM 1437 CA SER A 95 14.034 4.378 -7.149 1.00 0.00 C ATOM 1438 C SER A 95 13.372 4.071 -5.805 1.00 0.00 C ATOM 1439 O SER A 95 12.379 4.693 -5.426 1.00 0.00 O ATOM 1440 CB SER A 95 15.291 5.228 -6.923 1.00 0.00 C ATOM 1441 OG SER A 95 14.949 6.428 -6.255 1.00 0.00 O ATOM 0 H SER A 95 13.327 6.064 -8.167 1.00 0.00 H new ATOM 0 HA SER A 95 14.312 3.436 -7.621 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.018 4.668 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.763 5.456 -7.879 1.00 0.00 H new ATOM 0 HG SER A 95 14.530 7.047 -6.889 1.00 0.00 H new ATOM 1447 N LYS A 96 13.974 3.143 -5.056 1.00 0.00 N ATOM 1448 CA LYS A 96 13.532 2.810 -3.713 1.00 0.00 C ATOM 1449 C LYS A 96 13.516 4.084 -2.861 1.00 0.00 C ATOM 1450 O LYS A 96 12.551 4.339 -2.149 1.00 0.00 O ATOM 1451 CB LYS A 96 14.463 1.735 -3.135 1.00 0.00 C ATOM 1452 CG LYS A 96 14.031 1.286 -1.735 1.00 0.00 C ATOM 1453 CD LYS A 96 14.918 0.125 -1.270 1.00 0.00 C ATOM 1454 CE LYS A 96 14.525 -0.363 0.128 1.00 0.00 C ATOM 1455 NZ LYS A 96 13.173 -0.945 0.138 1.00 0.00 N ATOM 0 H LYS A 96 14.782 2.605 -5.370 1.00 0.00 H new ATOM 0 HA LYS A 96 12.520 2.405 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.478 0.873 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.481 2.123 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.108 2.118 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.986 0.976 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.840 -0.699 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.961 0.443 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.245 -1.107 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.569 0.469 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.940 -1.265 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.484 -0.227 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.139 -1.755 -0.514 1.00 0.00 H new ATOM 1469 N GLY A 97 14.577 4.892 -2.957 1.00 0.00 N ATOM 1470 CA GLY A 97 14.687 6.150 -2.236 1.00 0.00 C ATOM 1471 C GLY A 97 13.507 7.068 -2.557 1.00 0.00 C ATOM 1472 O GLY A 97 12.806 7.518 -1.649 1.00 0.00 O ATOM 0 H GLY A 97 15.385 4.684 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.722 5.957 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.621 6.645 -2.501 1.00 0.00 H new ATOM 1476 N GLN A 98 13.272 7.332 -3.847 1.00 0.00 N ATOM 1477 CA GLN A 98 12.157 8.174 -4.266 1.00 0.00 C ATOM 1478 C GLN A 98 10.836 7.617 -3.731 1.00 0.00 C ATOM 1479 O GLN A 98 10.017 8.369 -3.208 1.00 0.00 O ATOM 1480 CB GLN A 98 12.098 8.270 -5.792 1.00 0.00 C ATOM 1481 CG GLN A 98 13.209 9.149 -6.372 1.00 0.00 C ATOM 1482 CD GLN A 98 13.305 8.929 -7.878 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.722 7.857 -8.311 1.00 0.00 O ATOM 1484 NE2 GLN A 98 12.906 9.908 -8.685 1.00 0.00 N ATOM 0 H GLN A 98 13.840 6.973 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 98 12.313 9.172 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.172 7.269 -6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.130 8.672 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.004 10.198 -6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.161 8.909 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.565 10.786 -8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.941 9.781 -9.696 1.00 0.00 H new ATOM 1493 N LEU A 99 10.624 6.307 -3.866 1.00 0.00 N ATOM 1494 CA LEU A 99 9.404 5.668 -3.399 1.00 0.00 C ATOM 1495 C LEU A 99 9.230 5.882 -1.893 1.00 0.00 C ATOM 1496 O LEU A 99 8.186 6.365 -1.462 1.00 0.00 O ATOM 1497 CB LEU A 99 9.396 4.191 -3.813 1.00 0.00 C ATOM 1498 CG LEU A 99 8.109 3.435 -3.444 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.833 4.123 -3.949 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.177 2.033 -4.055 1.00 0.00 C ATOM 0 H LEU A 99 11.290 5.668 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 99 8.537 6.130 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.544 4.128 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.244 3.690 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 99 8.053 3.408 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.963 3.537 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.762 5.121 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.867 4.200 -5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.271 1.482 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.264 2.112 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.045 1.505 -3.659 1.00 0.00 H new ATOM 1512 N LYS A 100 10.248 5.560 -1.088 1.00 0.00 N ATOM 1513 CA LYS A 100 10.191 5.761 0.354 1.00 0.00 C ATOM 1514 C LYS A 100 9.879 7.222 0.680 1.00 0.00 C ATOM 1515 O LYS A 100 8.998 7.487 1.494 1.00 0.00 O ATOM 1516 CB LYS A 100 11.495 5.322 1.034 1.00 0.00 C ATOM 1517 CG LYS A 100 11.649 3.796 1.017 1.00 0.00 C ATOM 1518 CD LYS A 100 12.941 3.317 1.691 1.00 0.00 C ATOM 1519 CE LYS A 100 13.021 3.624 3.194 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.885 3.050 3.938 1.00 0.00 N ATOM 0 H LYS A 100 11.125 5.157 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 100 9.387 5.137 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.344 5.781 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.508 5.679 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.794 3.344 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.633 3.446 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.035 2.241 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.791 3.781 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.954 3.228 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.043 4.704 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.046 3.163 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.009 3.543 3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.797 2.039 3.711 1.00 0.00 H new ATOM 1534 N GLU A 101 10.589 8.161 0.047 1.00 0.00 N ATOM 1535 CA GLU A 101 10.384 9.582 0.265 1.00 0.00 C ATOM 1536 C GLU A 101 8.926 9.950 -0.028 1.00 0.00 C ATOM 1537 O GLU A 101 8.250 10.537 0.814 1.00 0.00 O ATOM 1538 CB GLU A 101 11.381 10.358 -0.610 1.00 0.00 C ATOM 1539 CG GLU A 101 11.242 11.877 -0.479 1.00 0.00 C ATOM 1540 CD GLU A 101 11.434 12.364 0.954 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.527 12.098 1.501 1.00 0.00 O ATOM 1542 OE2 GLU A 101 10.484 12.987 1.478 1.00 0.00 O ATOM 0 H GLU A 101 11.321 7.949 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 101 10.569 9.849 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.396 10.068 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.237 10.075 -1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.974 12.362 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.256 12.179 -0.832 1.00 0.00 H new ATOM 1549 N PHE A 102 8.442 9.590 -1.219 1.00 0.00 N ATOM 1550 CA PHE A 102 7.075 9.840 -1.654 1.00 0.00 C ATOM 1551 C PHE A 102 6.082 9.304 -0.620 1.00 0.00 C ATOM 1552 O PHE A 102 5.209 10.035 -0.147 1.00 0.00 O ATOM 1553 CB PHE A 102 6.860 9.193 -3.030 1.00 0.00 C ATOM 1554 CG PHE A 102 5.432 9.223 -3.544 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.960 10.334 -4.268 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.591 8.111 -3.349 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.669 10.316 -4.825 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.294 8.099 -3.892 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.839 9.195 -4.645 1.00 0.00 C ATOM 0 H PHE A 102 9.005 9.107 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 102 6.904 10.913 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.500 9.697 -3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.189 8.155 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.590 11.202 -4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.944 7.263 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.314 11.164 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.648 7.249 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.853 9.176 -5.085 1.00 0.00 H new ATOM 1569 N LEU A 103 6.211 8.024 -0.269 1.00 0.00 N ATOM 1570 CA LEU A 103 5.322 7.387 0.689 1.00 0.00 C ATOM 1571 C LEU A 103 5.346 8.128 2.019 1.00 0.00 C ATOM 1572 O LEU A 103 4.290 8.518 2.509 1.00 0.00 O ATOM 1573 CB LEU A 103 5.695 5.914 0.861 1.00 0.00 C ATOM 1574 CG LEU A 103 5.419 5.104 -0.414 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.067 3.728 -0.270 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.918 4.971 -0.701 1.00 0.00 C ATOM 0 H LEU A 103 6.932 7.407 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 103 4.302 7.432 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.750 5.834 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.129 5.490 1.691 1.00 0.00 H new ATOM 0 HG LEU A 103 5.850 5.634 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.879 3.141 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.142 3.845 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.643 3.215 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.772 4.391 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.431 4.466 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.483 5.962 -0.829 1.00 0.00 H new ATOM 1588 N ASP A 104 6.530 8.342 2.593 1.00 0.00 N ATOM 1589 CA ASP A 104 6.668 9.059 3.853 1.00 0.00 C ATOM 1590 C ASP A 104 5.975 10.421 3.775 1.00 0.00 C ATOM 1591 O ASP A 104 5.142 10.745 4.618 1.00 0.00 O ATOM 1592 CB ASP A 104 8.150 9.209 4.207 1.00 0.00 C ATOM 1593 CG ASP A 104 8.316 9.964 5.522 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.186 9.302 6.574 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.558 11.186 5.449 1.00 0.00 O ATOM 0 H ASP A 104 7.414 8.023 2.197 1.00 0.00 H new ATOM 0 HA ASP A 104 6.183 8.487 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.612 8.225 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.668 9.741 3.409 1.00 0.00 H new ATOM 1600 N ALA A 105 6.308 11.205 2.746 1.00 0.00 N ATOM 1601 CA ALA A 105 5.747 12.527 2.519 1.00 0.00 C ATOM 1602 C ALA A 105 4.219 12.494 2.429 1.00 0.00 C ATOM 1603 O ALA A 105 3.555 13.385 2.954 1.00 0.00 O ATOM 1604 CB ALA A 105 6.355 13.133 1.251 1.00 0.00 C ATOM 0 H ALA A 105 6.988 10.928 2.038 1.00 0.00 H new ATOM 0 HA ALA A 105 5.999 13.154 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.933 14.124 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.436 13.214 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.130 12.493 0.398 1.00 0.00 H new ATOM 1610 N ASN A 106 3.651 11.476 1.777 1.00 0.00 N ATOM 1611 CA ASN A 106 2.204 11.393 1.605 1.00 0.00 C ATOM 1612 C ASN A 106 1.544 10.914 2.894 1.00 0.00 C ATOM 1613 O ASN A 106 0.514 11.457 3.289 1.00 0.00 O ATOM 1614 CB ASN A 106 1.837 10.435 0.467 1.00 0.00 C ATOM 1615 CG ASN A 106 1.882 11.102 -0.904 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.863 11.570 -1.398 1.00 0.00 O ATOM 1617 ND2 ASN A 106 3.046 11.140 -1.538 1.00 0.00 N ATOM 0 H ASN A 106 4.171 10.703 1.362 1.00 0.00 H new ATOM 0 HA ASN A 106 1.843 12.391 1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.522 9.587 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.837 10.038 0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.110 11.567 -2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.878 10.742 -1.102 1.00 0.00 H new ATOM 1624 N LEU A 107 2.119 9.913 3.564 1.00 0.00 N ATOM 1625 CA LEU A 107 1.599 9.410 4.829 1.00 0.00 C ATOM 1626 C LEU A 107 1.588 10.554 5.842 1.00 0.00 C ATOM 1627 O LEU A 107 0.576 10.800 6.495 1.00 0.00 O ATOM 1628 CB LEU A 107 2.446 8.226 5.323 1.00 0.00 C ATOM 1629 CG LEU A 107 2.236 6.950 4.491 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.396 5.980 4.737 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.916 6.251 4.846 1.00 0.00 C ATOM 0 H LEU A 107 2.958 9.431 3.242 1.00 0.00 H new ATOM 0 HA LEU A 107 0.581 9.044 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.500 8.503 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.199 8.019 6.364 1.00 0.00 H new ATOM 0 HG LEU A 107 2.198 7.241 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.246 5.076 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.334 6.453 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.435 5.720 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.804 5.354 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.922 5.975 5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.083 6.927 4.653 1.00 0.00 H new ATOM 1643 N ALA A 108 2.705 11.280 5.946 1.00 0.00 N ATOM 1644 CA ALA A 108 2.823 12.435 6.819 1.00 0.00 C ATOM 1645 C ALA A 108 1.836 13.515 6.374 1.00 0.00 C ATOM 1646 O ALA A 108 1.549 14.443 7.128 1.00 0.00 O ATOM 1647 CB ALA A 108 4.261 12.958 6.786 1.00 0.00 C ATOM 0 H ALA A 108 3.555 11.075 5.420 1.00 0.00 H new ATOM 0 HA ALA A 108 2.584 12.151 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.348 13.825 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.940 12.176 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.520 13.246 5.767 1.00 0.00 H new TER 1653 ALA A 108