USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1067 hydrogens (23 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 Single : A 19 SER OG : rot 37:sc= 0.0932 USER MOD Single : A 20 ASN : amide:sc= -0.823 K(o=-0.82,f=-4.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00286 USER MOD Single : A 31 ASN :FLIP amide:sc= -3.74! F(o=-4.4,f=-3.7!) USER MOD Single : A 37 HIS : no HD1:sc= -9.79! C(o=-9.8!,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 30:sc= 0.0939 USER MOD Single : B 20 ASN : amide:sc= -0.828 K(o=-0.83,f=-4!) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc=-0.000539 USER MOD Single : B 31 ASN :FLIP amide:sc= -3.65! F(o=-4.4,f=-3.7!) USER MOD Single : B 37 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-12!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 SER OG : rot 37:sc= 0.0908 USER MOD Single : C 20 ASN : amide:sc= -0.838 K(o=-0.84,f=-4!) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 ASN :FLIP amide:sc= -3.88! F(o=-4.5,f=-3.9!) USER MOD Single : C 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-11!) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 19 SER OG : rot 28:sc= 0.0947 USER MOD Single : D 20 ASN : amide:sc= -0.838 K(o=-0.84,f=-4.1!) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc=-0.00534 USER MOD Single : D 31 ASN :FLIP amide:sc= -3.5! F(o=-4.4,f=-3.5!) USER MOD Single : D 37 HIS : no HD1:sc= -9.69! C(o=-9.7!,f=-11!) USER MOD Single : D 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 -5.160 24.851 -9.631 1.00 0.00 N ATOM 2 CA SER A 19 -6.603 25.085 -9.336 1.00 0.00 C ATOM 3 C SER A 19 -6.891 24.709 -7.887 1.00 0.00 C ATOM 4 O SER A 19 -7.559 25.448 -7.164 1.00 0.00 O ATOM 5 CB SER A 19 -7.457 24.235 -10.277 1.00 0.00 C ATOM 6 OG SER A 19 -7.197 24.617 -11.622 1.00 0.00 O ATOM 0 HA SER A 19 -6.844 26.137 -9.486 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.231 23.178 -10.137 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.514 24.368 -10.047 1.00 0.00 H new ATOM 0 HG SER A 19 -6.247 24.834 -11.723 1.00 0.00 H new ATOM 14 N ASN A 20 -6.380 23.552 -7.466 1.00 0.00 N ATOM 15 CA ASN A 20 -6.581 23.074 -6.095 1.00 0.00 C ATOM 16 C ASN A 20 -5.276 22.526 -5.525 1.00 0.00 C ATOM 17 O ASN A 20 -4.828 21.445 -5.904 1.00 0.00 O ATOM 18 CB ASN A 20 -7.644 21.975 -6.082 1.00 0.00 C ATOM 19 CG ASN A 20 -7.930 21.543 -4.647 1.00 0.00 C ATOM 20 OD1 ASN A 20 -7.887 22.361 -3.731 1.00 0.00 O ATOM 21 ND2 ASN A 20 -8.220 20.294 -4.398 1.00 0.00 N ATOM 0 H ASN A 20 -5.825 22.928 -8.052 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.912 23.911 -5.479 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.559 22.337 -6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.303 21.121 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.411 19.996 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.255 19.617 -5.160 1.00 0.00 H new ATOM 28 N ASP A 21 -4.673 23.281 -4.609 1.00 0.00 N ATOM 29 CA ASP A 21 -3.419 22.863 -3.985 1.00 0.00 C ATOM 30 C ASP A 21 -3.696 22.020 -2.743 1.00 0.00 C ATOM 31 O ASP A 21 -2.772 21.564 -2.072 1.00 0.00 O ATOM 32 CB ASP A 21 -2.598 24.092 -3.594 1.00 0.00 C ATOM 33 CG ASP A 21 -3.431 25.015 -2.711 1.00 0.00 C ATOM 34 OD1 ASP A 21 -4.610 24.743 -2.552 1.00 0.00 O ATOM 35 OD2 ASP A 21 -2.880 25.981 -2.211 1.00 0.00 O ATOM 0 H ASP A 21 -5.029 24.180 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.858 22.263 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.697 23.784 -3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.276 24.624 -4.489 1.00 0.00 H new ATOM 40 N SER A 22 -4.976 21.824 -2.444 1.00 0.00 N ATOM 41 CA SER A 22 -5.371 21.038 -1.279 1.00 0.00 C ATOM 42 C SER A 22 -4.866 19.602 -1.405 1.00 0.00 C ATOM 43 O SER A 22 -4.348 19.028 -0.448 1.00 0.00 O ATOM 44 CB SER A 22 -6.893 21.040 -1.144 1.00 0.00 C ATOM 45 OG SER A 22 -7.268 20.305 0.012 1.00 0.00 O ATOM 0 H SER A 22 -5.754 22.196 -2.988 1.00 0.00 H new ATOM 0 HA SER A 22 -4.928 21.487 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.261 22.064 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.348 20.599 -2.031 1.00 0.00 H new ATOM 0 HG SER A 22 -8.244 20.308 0.099 1.00 0.00 H new ATOM 51 N SER A 23 -5.022 19.027 -2.600 1.00 0.00 N ATOM 52 CA SER A 23 -4.580 17.655 -2.861 1.00 0.00 C ATOM 53 C SER A 23 -3.838 17.587 -4.193 1.00 0.00 C ATOM 54 O SER A 23 -4.424 17.792 -5.254 1.00 0.00 O ATOM 55 CB SER A 23 -5.789 16.718 -2.898 1.00 0.00 C ATOM 56 OG SER A 23 -5.341 15.378 -3.054 1.00 0.00 O ATOM 0 H SER A 23 -5.451 19.490 -3.402 1.00 0.00 H new ATOM 0 HA SER A 23 -3.907 17.344 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.367 16.815 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.450 16.991 -3.721 1.00 0.00 H new ATOM 0 HG SER A 23 -6.113 14.775 -3.076 1.00 0.00 H new ATOM 62 N ASP A 24 -2.543 17.300 -4.124 1.00 0.00 N ATOM 63 CA ASP A 24 -1.718 17.212 -5.325 1.00 0.00 C ATOM 64 C ASP A 24 -2.078 15.958 -6.135 1.00 0.00 C ATOM 65 O ASP A 24 -2.562 14.981 -5.567 1.00 0.00 O ATOM 66 CB ASP A 24 -0.228 17.183 -4.933 1.00 0.00 C ATOM 67 CG ASP A 24 -0.014 17.967 -3.641 1.00 0.00 C ATOM 68 OD1 ASP A 24 -0.627 19.012 -3.496 1.00 0.00 O ATOM 69 OD2 ASP A 24 0.758 17.510 -2.814 1.00 0.00 O ATOM 0 H ASP A 24 -2.042 17.125 -3.253 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.907 18.088 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.102 16.153 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.376 17.612 -5.733 1.00 0.00 H new ATOM 74 N PRO A 25 -1.844 15.953 -7.431 1.00 0.00 N ATOM 75 CA PRO A 25 -2.154 14.762 -8.281 1.00 0.00 C ATOM 76 C PRO A 25 -1.616 13.468 -7.670 1.00 0.00 C ATOM 77 O PRO A 25 -2.249 12.416 -7.751 1.00 0.00 O ATOM 78 CB PRO A 25 -1.441 15.066 -9.608 1.00 0.00 C ATOM 79 CG PRO A 25 -1.364 16.556 -9.680 1.00 0.00 C ATOM 80 CD PRO A 25 -1.280 17.061 -8.232 1.00 0.00 C ATOM 0 HA PRO A 25 -3.227 14.607 -8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.447 14.619 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.994 14.659 -10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.491 16.872 -10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.240 16.965 -10.183 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.251 17.278 -7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.849 17.981 -8.097 1.00 0.00 H new ATOM 88 N LEU A 26 -0.440 13.553 -7.068 1.00 0.00 N ATOM 89 CA LEU A 26 0.173 12.385 -6.453 1.00 0.00 C ATOM 90 C LEU A 26 -0.679 11.878 -5.285 1.00 0.00 C ATOM 91 O LEU A 26 -0.827 10.671 -5.092 1.00 0.00 O ATOM 92 CB LEU A 26 1.582 12.739 -5.955 1.00 0.00 C ATOM 93 CG LEU A 26 2.585 12.720 -7.121 1.00 0.00 C ATOM 94 CD1 LEU A 26 2.791 11.285 -7.650 1.00 0.00 C ATOM 95 CD2 LEU A 26 2.066 13.623 -8.246 1.00 0.00 C ATOM 0 H LEU A 26 0.106 14.411 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 26 0.240 11.595 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.573 13.725 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.893 12.029 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 26 3.547 13.089 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.505 11.300 -8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.175 10.653 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.839 10.887 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.773 13.614 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.099 13.257 -8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.957 14.642 -7.874 1.00 0.00 H new ATOM 107 N VAL A 27 -1.213 12.806 -4.493 1.00 0.00 N ATOM 108 CA VAL A 27 -2.019 12.434 -3.331 1.00 0.00 C ATOM 109 C VAL A 27 -3.277 11.675 -3.741 1.00 0.00 C ATOM 110 O VAL A 27 -3.569 10.605 -3.207 1.00 0.00 O ATOM 111 CB VAL A 27 -2.430 13.697 -2.570 1.00 0.00 C ATOM 112 CG1 VAL A 27 -3.282 13.313 -1.360 1.00 0.00 C ATOM 113 CG2 VAL A 27 -1.180 14.446 -2.108 1.00 0.00 C ATOM 0 H VAL A 27 -1.104 13.811 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.414 11.784 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.013 14.343 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.573 14.214 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.175 12.787 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.706 12.665 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.474 15.345 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.592 13.803 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.581 14.724 -2.975 1.00 0.00 H new ATOM 123 N VAL A 28 -4.020 12.231 -4.692 1.00 0.00 N ATOM 124 CA VAL A 28 -5.242 11.590 -5.160 1.00 0.00 C ATOM 125 C VAL A 28 -4.905 10.346 -5.965 1.00 0.00 C ATOM 126 O VAL A 28 -5.532 9.297 -5.814 1.00 0.00 O ATOM 127 CB VAL A 28 -6.043 12.566 -6.019 1.00 0.00 C ATOM 128 CG1 VAL A 28 -5.219 12.992 -7.231 1.00 0.00 C ATOM 129 CG2 VAL A 28 -7.335 11.894 -6.489 1.00 0.00 C ATOM 0 H VAL A 28 -3.800 13.116 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.841 11.299 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.286 13.447 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.798 13.688 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.303 13.478 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.967 12.114 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.906 12.592 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.092 11.009 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.929 11.602 -5.623 1.00 0.00 H new ATOM 139 N ALA A 29 -3.906 10.482 -6.824 1.00 0.00 N ATOM 140 CA ALA A 29 -3.471 9.373 -7.668 1.00 0.00 C ATOM 141 C ALA A 29 -3.045 8.185 -6.817 1.00 0.00 C ATOM 142 O ALA A 29 -3.429 7.048 -7.087 1.00 0.00 O ATOM 143 CB ALA A 29 -2.296 9.811 -8.545 1.00 0.00 C ATOM 0 H ALA A 29 -3.381 11.346 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.309 9.076 -8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.979 8.977 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.605 10.643 -9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.467 10.125 -7.912 1.00 0.00 H new ATOM 149 N ALA A 30 -2.250 8.454 -5.787 1.00 0.00 N ATOM 150 CA ALA A 30 -1.782 7.392 -4.907 1.00 0.00 C ATOM 151 C ALA A 30 -2.953 6.744 -4.181 1.00 0.00 C ATOM 152 O ALA A 30 -2.993 5.525 -4.011 1.00 0.00 O ATOM 153 CB ALA A 30 -0.794 7.958 -3.885 1.00 0.00 C ATOM 0 H ALA A 30 -1.920 9.388 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.283 6.636 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.449 7.157 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.058 8.394 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.287 8.726 -3.289 1.00 0.00 H new ATOM 159 N ASN A 31 -3.908 7.564 -3.750 1.00 0.00 N ATOM 160 CA ASN A 31 -5.074 7.050 -3.041 1.00 0.00 C ATOM 161 C ASN A 31 -5.911 6.152 -3.945 1.00 0.00 C ATOM 162 O ASN A 31 -6.363 5.088 -3.531 1.00 0.00 O ATOM 163 CB ASN A 31 -5.939 8.209 -2.545 1.00 0.00 C ATOM 164 CG ASN A 31 -7.177 7.664 -1.841 1.00 0.00 C ATOM 165 OD1 ASN A 31 -8.362 7.951 -2.306 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -7.061 6.951 -0.844 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.898 8.576 -3.878 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.720 6.464 -2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.367 8.836 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.234 8.840 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.134 6.728 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.892 6.584 -0.380 1.00 0.00 H new ATOM 173 N ILE A 32 -6.116 6.587 -5.185 1.00 0.00 N ATOM 174 CA ILE A 32 -6.905 5.808 -6.131 1.00 0.00 C ATOM 175 C ILE A 32 -6.216 4.481 -6.434 1.00 0.00 C ATOM 176 O ILE A 32 -6.856 3.431 -6.470 1.00 0.00 O ATOM 177 CB ILE A 32 -7.098 6.603 -7.427 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.986 7.819 -7.145 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.774 5.720 -8.481 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.944 8.771 -8.340 1.00 0.00 C ATOM 0 H ILE A 32 -5.751 7.465 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.879 5.602 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.127 6.930 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.011 7.498 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.644 8.332 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.909 6.290 -9.400 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.149 4.850 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.746 5.392 -8.112 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.576 9.636 -8.139 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.919 9.102 -8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.307 8.255 -9.229 1.00 0.00 H new ATOM 192 N ILE A 33 -4.908 4.538 -6.653 1.00 0.00 N ATOM 193 CA ILE A 33 -4.138 3.339 -6.954 1.00 0.00 C ATOM 194 C ILE A 33 -4.137 2.378 -5.762 1.00 0.00 C ATOM 195 O ILE A 33 -4.305 1.170 -5.930 1.00 0.00 O ATOM 196 CB ILE A 33 -2.702 3.727 -7.324 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.711 4.478 -8.661 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.843 2.467 -7.454 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.335 5.093 -8.926 1.00 0.00 C ATOM 0 H ILE A 33 -4.361 5.398 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.602 2.830 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.287 4.366 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.975 3.796 -9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.470 5.260 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.823 2.748 -7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.838 1.930 -6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.255 1.825 -8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.351 5.624 -9.878 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.088 5.790 -8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.585 4.303 -8.964 1.00 0.00 H new ATOM 211 N GLY A 34 -3.945 2.920 -4.561 1.00 0.00 N ATOM 212 CA GLY A 34 -3.919 2.093 -3.357 1.00 0.00 C ATOM 213 C GLY A 34 -5.277 1.440 -3.110 1.00 0.00 C ATOM 214 O GLY A 34 -5.363 0.247 -2.814 1.00 0.00 O ATOM 0 H GLY A 34 -3.807 3.917 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.154 1.323 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.644 2.705 -2.498 1.00 0.00 H new ATOM 218 N ILE A 35 -6.336 2.229 -3.240 1.00 0.00 N ATOM 219 CA ILE A 35 -7.688 1.723 -3.036 1.00 0.00 C ATOM 220 C ILE A 35 -8.013 0.662 -4.083 1.00 0.00 C ATOM 221 O ILE A 35 -8.588 -0.384 -3.771 1.00 0.00 O ATOM 222 CB ILE A 35 -8.688 2.880 -3.111 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.482 3.800 -1.904 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.117 2.333 -3.094 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.200 5.129 -2.140 1.00 0.00 C ATOM 0 H ILE A 35 -6.286 3.218 -3.485 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.757 1.264 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.529 3.438 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.866 3.324 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.418 3.974 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.824 3.161 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.264 1.674 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.282 1.774 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.051 5.781 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.796 5.608 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.266 4.947 -2.277 1.00 0.00 H new ATOM 237 N LEU A 36 -7.629 0.933 -5.324 1.00 0.00 N ATOM 238 CA LEU A 36 -7.874 -0.005 -6.412 1.00 0.00 C ATOM 239 C LEU A 36 -7.160 -1.321 -6.130 1.00 0.00 C ATOM 240 O LEU A 36 -7.685 -2.400 -6.418 1.00 0.00 O ATOM 241 CB LEU A 36 -7.391 0.593 -7.742 1.00 0.00 C ATOM 242 CG LEU A 36 -7.625 -0.411 -8.905 1.00 0.00 C ATOM 243 CD1 LEU A 36 -8.110 0.335 -10.158 1.00 0.00 C ATOM 244 CD2 LEU A 36 -6.315 -1.147 -9.246 1.00 0.00 C ATOM 0 H LEU A 36 -7.149 1.789 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.945 -0.195 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.922 1.523 -7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.331 0.839 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.379 -1.131 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.271 -0.378 -10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.045 0.849 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.358 1.064 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.493 -1.847 -10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.559 -0.423 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.965 -1.693 -8.370 1.00 0.00 H new ATOM 256 N HIS A 37 -5.964 -1.229 -5.557 1.00 0.00 N ATOM 257 CA HIS A 37 -5.198 -2.424 -5.239 1.00 0.00 C ATOM 258 C HIS A 37 -5.998 -3.317 -4.301 1.00 0.00 C ATOM 259 O HIS A 37 -6.021 -4.538 -4.458 1.00 0.00 O ATOM 260 CB HIS A 37 -3.878 -2.050 -4.566 1.00 0.00 C ATOM 261 CG HIS A 37 -3.100 -3.308 -4.290 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.876 -3.565 -4.879 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.376 -4.402 -3.508 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.468 -4.772 -4.449 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.344 -5.323 -3.612 1.00 0.00 N ATOM 0 H HIS A 37 -5.511 -0.350 -5.307 1.00 0.00 H new ATOM 0 HA HIS A 37 -4.989 -2.955 -6.167 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.302 -1.384 -5.209 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.067 -1.512 -3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.262 -4.527 -2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.541 -5.238 -4.747 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.272 -6.228 -3.147 1.00 0.00 H new ATOM 273 N LEU A 38 -6.656 -2.700 -3.326 1.00 0.00 N ATOM 274 CA LEU A 38 -7.456 -3.453 -2.366 1.00 0.00 C ATOM 275 C LEU A 38 -8.579 -4.209 -3.065 1.00 0.00 C ATOM 276 O LEU A 38 -8.886 -5.338 -2.702 1.00 0.00 O ATOM 277 CB LEU A 38 -8.039 -2.503 -1.297 1.00 0.00 C ATOM 278 CG LEU A 38 -7.063 -2.371 -0.106 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.327 -1.064 0.643 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.248 -3.554 0.862 1.00 0.00 C ATOM 0 H LEU A 38 -6.652 -1.691 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.807 -4.181 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.224 -1.522 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.999 -2.883 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.043 -2.372 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.635 -0.979 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.183 -0.222 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.351 -1.059 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.556 -3.452 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.271 -3.561 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.048 -4.488 0.337 1.00 0.00 H new ATOM 292 N ILE A 39 -9.200 -3.593 -4.057 1.00 0.00 N ATOM 293 CA ILE A 39 -10.291 -4.265 -4.749 1.00 0.00 C ATOM 294 C ILE A 39 -9.809 -5.590 -5.340 1.00 0.00 C ATOM 295 O ILE A 39 -10.437 -6.633 -5.140 1.00 0.00 O ATOM 296 CB ILE A 39 -10.827 -3.363 -5.866 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.440 -2.101 -5.243 1.00 0.00 C ATOM 298 CG2 ILE A 39 -11.901 -4.111 -6.663 1.00 0.00 C ATOM 299 CD1 ILE A 39 -11.786 -1.086 -6.341 1.00 0.00 C ATOM 0 H ILE A 39 -8.978 -2.657 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.088 -4.470 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.011 -3.086 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.337 -2.362 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.739 -1.658 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.280 -3.467 -7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.468 -5.010 -7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.720 -4.389 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.220 -0.194 -5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.880 -0.814 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.503 -1.528 -7.032 1.00 0.00 H new ATOM 311 N LEU A 40 -8.693 -5.548 -6.060 1.00 0.00 N ATOM 312 CA LEU A 40 -8.144 -6.760 -6.669 1.00 0.00 C ATOM 313 C LEU A 40 -7.595 -7.731 -5.616 1.00 0.00 C ATOM 314 O LEU A 40 -7.828 -8.939 -5.694 1.00 0.00 O ATOM 315 CB LEU A 40 -7.028 -6.379 -7.645 1.00 0.00 C ATOM 316 CG LEU A 40 -7.540 -5.315 -8.624 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.406 -4.906 -9.568 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.717 -5.874 -9.443 1.00 0.00 C ATOM 0 H LEU A 40 -8.154 -4.700 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.953 -7.265 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.166 -5.998 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.694 -7.260 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.881 -4.445 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.768 -4.150 -10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.578 -4.498 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.064 -5.778 -10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.073 -5.111 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.387 -6.748 -10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.525 -6.160 -8.770 1.00 0.00 H new ATOM 330 N TRP A 41 -6.860 -7.204 -4.639 1.00 0.00 N ATOM 331 CA TRP A 41 -6.276 -8.039 -3.591 1.00 0.00 C ATOM 332 C TRP A 41 -7.364 -8.669 -2.722 1.00 0.00 C ATOM 333 O TRP A 41 -7.239 -9.817 -2.292 1.00 0.00 O ATOM 334 CB TRP A 41 -5.302 -7.214 -2.740 1.00 0.00 C ATOM 335 CG TRP A 41 -4.778 -8.035 -1.602 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.723 -8.885 -1.664 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.232 -8.056 -0.221 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.522 -9.441 -0.414 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.424 -8.958 0.508 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.258 -7.387 0.460 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.633 -9.184 1.864 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.467 -7.611 1.828 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.657 -8.508 2.526 1.00 0.00 C ATOM 0 H TRP A 41 -6.655 -6.209 -4.551 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.722 -8.850 -4.064 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.474 -6.867 -3.358 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.806 -6.328 -2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.136 -9.094 -2.546 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.795 -10.124 -0.201 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.892 -6.694 -0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.005 -9.879 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.258 -7.087 2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.824 -8.679 3.579 1.00 0.00 H new ATOM 354 N ILE A 42 -8.435 -7.919 -2.474 1.00 0.00 N ATOM 355 CA ILE A 42 -9.543 -8.420 -1.663 1.00 0.00 C ATOM 356 C ILE A 42 -10.163 -9.644 -2.338 1.00 0.00 C ATOM 357 O ILE A 42 -10.481 -10.631 -1.681 1.00 0.00 O ATOM 358 CB ILE A 42 -10.603 -7.313 -1.480 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.141 -6.329 -0.396 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.952 -7.919 -1.064 1.00 0.00 C ATOM 361 CD1 ILE A 42 -10.949 -5.032 -0.504 1.00 0.00 C ATOM 0 H ILE A 42 -8.560 -6.968 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.169 -8.710 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.724 -6.792 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.273 -6.771 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.078 -6.118 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.686 -7.123 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.293 -8.610 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.835 -8.455 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.621 -4.334 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.794 -4.588 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.008 -5.251 -0.368 1.00 0.00 H new ATOM 373 N LEU A 43 -10.339 -9.571 -3.653 1.00 0.00 N ATOM 374 CA LEU A 43 -10.925 -10.683 -4.390 1.00 0.00 C ATOM 375 C LEU A 43 -10.052 -11.932 -4.250 1.00 0.00 C ATOM 376 O LEU A 43 -10.562 -13.041 -4.099 1.00 0.00 O ATOM 377 CB LEU A 43 -11.065 -10.314 -5.869 1.00 0.00 C ATOM 378 CG LEU A 43 -12.137 -9.225 -6.042 1.00 0.00 C ATOM 379 CD1 LEU A 43 -12.059 -8.659 -7.464 1.00 0.00 C ATOM 380 CD2 LEU A 43 -13.549 -9.804 -5.794 1.00 0.00 C ATOM 0 H LEU A 43 -10.088 -8.764 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.912 -10.894 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.109 -9.959 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.335 -11.197 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.954 -8.434 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.818 -7.887 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.072 -8.228 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.232 -9.459 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.292 -9.017 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.744 -10.606 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.608 -10.198 -4.779 1.00 0.00 H new ATOM 392 N ASP A 44 -8.736 -11.741 -4.297 1.00 0.00 N ATOM 393 CA ASP A 44 -7.802 -12.857 -4.172 1.00 0.00 C ATOM 394 C ASP A 44 -7.907 -13.508 -2.792 1.00 0.00 C ATOM 395 O ASP A 44 -7.677 -14.708 -2.644 1.00 0.00 O ATOM 396 CB ASP A 44 -6.368 -12.374 -4.397 1.00 0.00 C ATOM 397 CG ASP A 44 -6.146 -12.050 -5.871 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.018 -12.365 -6.664 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.105 -11.496 -6.184 1.00 0.00 O ATOM 0 H ASP A 44 -8.294 -10.830 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.061 -13.597 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.175 -11.490 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.664 -13.141 -4.076 1.00 0.00 H new ATOM 404 N ARG A 45 -8.248 -12.707 -1.786 1.00 0.00 N ATOM 405 CA ARG A 45 -8.370 -13.214 -0.421 1.00 0.00 C ATOM 406 C ARG A 45 -9.398 -14.338 -0.367 1.00 0.00 C ATOM 407 O ARG A 45 -9.224 -15.319 0.358 1.00 0.00 O ATOM 408 CB ARG A 45 -8.794 -12.084 0.524 1.00 0.00 C ATOM 409 CG ARG A 45 -8.829 -12.594 1.968 1.00 0.00 C ATOM 410 CD ARG A 45 -9.245 -11.455 2.900 1.00 0.00 C ATOM 411 NE ARG A 45 -9.307 -11.929 4.281 1.00 0.00 N ATOM 412 CZ ARG A 45 -8.229 -11.926 5.062 1.00 0.00 C ATOM 413 NH1 ARG A 45 -7.087 -11.494 4.599 1.00 0.00 N ATOM 414 NH2 ARG A 45 -8.314 -12.357 6.292 1.00 0.00 N ATOM 0 H ARG A 45 -8.444 -11.711 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.401 -13.601 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.098 -11.249 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.777 -11.709 0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.530 -13.424 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.848 -12.974 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.533 -10.633 2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.217 -11.065 2.598 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.194 -12.269 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.020 -11.158 3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.262 -11.492 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.206 -12.695 6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.489 -12.355 6.891 1.00 0.00 H new ATOM 428 N LEU A 46 -10.473 -14.188 -1.129 1.00 0.00 N ATOM 429 CA LEU A 46 -11.530 -15.192 -1.156 1.00 0.00 C ATOM 430 C LEU A 46 -10.981 -16.531 -1.646 1.00 0.00 C ATOM 431 O LEU A 46 -11.314 -17.583 -1.102 1.00 0.00 O ATOM 432 CB LEU A 46 -12.654 -14.736 -2.091 1.00 0.00 C ATOM 433 CG LEU A 46 -13.390 -13.530 -1.488 1.00 0.00 C ATOM 434 CD1 LEU A 46 -14.288 -12.903 -2.559 1.00 0.00 C ATOM 435 CD2 LEU A 46 -14.250 -13.965 -0.286 1.00 0.00 C ATOM 0 H LEU A 46 -10.637 -13.384 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.918 -15.314 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.242 -14.470 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.355 -15.554 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.655 -12.803 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.813 -12.046 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.677 -12.576 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -15.014 -13.640 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.763 -13.097 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.986 -14.700 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.610 -14.406 0.478 1.00 0.00 H new ATOM 447 N PHE A 47 -10.138 -16.483 -2.673 1.00 0.00 N ATOM 448 CA PHE A 47 -9.547 -17.699 -3.229 1.00 0.00 C ATOM 449 C PHE A 47 -8.264 -18.058 -2.487 1.00 0.00 C ATOM 450 O PHE A 47 -7.630 -19.073 -2.773 1.00 0.00 O ATOM 451 CB PHE A 47 -9.244 -17.494 -4.714 1.00 0.00 C ATOM 452 CG PHE A 47 -10.544 -17.330 -5.464 1.00 0.00 C ATOM 453 CD1 PHE A 47 -11.258 -16.130 -5.362 1.00 0.00 C ATOM 454 CD2 PHE A 47 -11.038 -18.373 -6.257 1.00 0.00 C ATOM 455 CE1 PHE A 47 -12.465 -15.972 -6.054 1.00 0.00 C ATOM 456 CE2 PHE A 47 -12.244 -18.216 -6.950 1.00 0.00 C ATOM 457 CZ PHE A 47 -12.959 -17.015 -6.847 1.00 0.00 C ATOM 0 H PHE A 47 -9.849 -15.621 -3.136 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.258 -18.517 -3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.616 -16.614 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.688 -18.346 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.878 -15.326 -4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.488 -19.299 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.015 -15.046 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -12.623 -19.020 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.891 -16.894 -7.379 1.00 0.00 H new ATOM 467 N PHE A 48 -7.890 -17.214 -1.529 1.00 0.00 N ATOM 468 CA PHE A 48 -6.681 -17.443 -0.743 1.00 0.00 C ATOM 469 C PHE A 48 -6.766 -16.719 0.593 1.00 0.00 C ATOM 470 O PHE A 48 -6.065 -15.733 0.822 1.00 0.00 O ATOM 471 CB PHE A 48 -5.454 -16.955 -1.516 1.00 0.00 C ATOM 472 CG PHE A 48 -5.205 -17.864 -2.694 1.00 0.00 C ATOM 473 CD1 PHE A 48 -4.409 -19.006 -2.540 1.00 0.00 C ATOM 474 CD2 PHE A 48 -5.769 -17.568 -3.940 1.00 0.00 C ATOM 475 CE1 PHE A 48 -4.178 -19.849 -3.632 1.00 0.00 C ATOM 476 CE2 PHE A 48 -5.539 -18.411 -5.032 1.00 0.00 C ATOM 477 CZ PHE A 48 -4.742 -19.554 -4.878 1.00 0.00 C ATOM 0 H PHE A 48 -8.404 -16.369 -1.279 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.589 -18.513 -0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.611 -15.932 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.581 -16.942 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.974 -19.236 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.383 -16.687 -4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.563 -20.729 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.975 -18.182 -5.993 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.564 -20.206 -5.720 1.00 0.00 H new ATOM 487 N LYS A 49 -7.629 -17.214 1.474 1.00 0.00 N ATOM 488 CA LYS A 49 -7.797 -16.605 2.790 1.00 0.00 C ATOM 489 C LYS A 49 -6.697 -17.067 3.739 1.00 0.00 C ATOM 490 O LYS A 49 -5.618 -17.376 3.258 1.00 0.00 O ATOM 491 CB LYS A 49 -9.167 -16.976 3.367 1.00 0.00 C ATOM 492 CG LYS A 49 -9.273 -18.496 3.514 1.00 0.00 C ATOM 493 CD LYS A 49 -10.667 -18.863 4.032 1.00 0.00 C ATOM 494 CE LYS A 49 -10.776 -20.383 4.166 1.00 0.00 C ATOM 495 NZ LYS A 49 -12.130 -20.740 4.678 1.00 0.00 N ATOM 496 OXT LYS A 49 -6.948 -17.104 4.931 1.00 0.00 O ATOM 0 H LYS A 49 -8.219 -18.028 1.304 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.732 -15.522 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.305 -16.497 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.959 -16.608 2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.092 -18.978 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.510 -18.860 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.845 -18.388 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.430 -18.492 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.604 -20.857 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.009 -20.755 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.205 -21.773 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.277 -20.298 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.854 -20.398 4.014 1.00 0.00 H new TER 510 LYS A 49 ATOM 511 N SER B 19 12.889 23.816 -2.869 1.00 0.00 N ATOM 512 CA SER B 19 12.620 24.223 -4.278 1.00 0.00 C ATOM 513 C SER B 19 11.133 24.064 -4.575 1.00 0.00 C ATOM 514 O SER B 19 10.507 24.949 -5.158 1.00 0.00 O ATOM 515 CB SER B 19 13.439 23.345 -5.225 1.00 0.00 C ATOM 516 OG SER B 19 14.822 23.524 -4.954 1.00 0.00 O ATOM 0 HA SER B 19 12.904 25.265 -4.421 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.164 22.298 -5.097 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.223 23.607 -6.261 1.00 0.00 H new ATOM 0 HG SER B 19 14.944 23.745 -4.007 1.00 0.00 H new ATOM 524 N ASN B 20 10.570 22.927 -4.168 1.00 0.00 N ATOM 525 CA ASN B 20 9.148 22.649 -4.390 1.00 0.00 C ATOM 526 C ASN B 20 8.518 22.055 -3.134 1.00 0.00 C ATOM 527 O ASN B 20 8.756 20.896 -2.797 1.00 0.00 O ATOM 528 CB ASN B 20 8.988 21.667 -5.553 1.00 0.00 C ATOM 529 CG ASN B 20 7.510 21.451 -5.854 1.00 0.00 C ATOM 530 OD1 ASN B 20 6.707 22.373 -5.721 1.00 0.00 O ATOM 531 ND2 ASN B 20 7.100 20.278 -6.257 1.00 0.00 N ATOM 0 H ASN B 20 11.074 22.184 -3.684 1.00 0.00 H new ATOM 0 HA ASN B 20 8.644 23.586 -4.629 1.00 0.00 H new ATOM 0 HB2 ASN B 20 9.495 22.053 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN B 20 9.460 20.716 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN B 20 6.112 20.126 -6.462 1.00 0.00 H new ATOM 0 HD22 ASN B 20 7.767 19.514 -6.367 1.00 0.00 H new ATOM 538 N ASP B 21 7.709 22.859 -2.448 1.00 0.00 N ATOM 539 CA ASP B 21 7.041 22.406 -1.228 1.00 0.00 C ATOM 540 C ASP B 21 5.700 21.761 -1.563 1.00 0.00 C ATOM 541 O ASP B 21 4.979 21.308 -0.675 1.00 0.00 O ATOM 542 CB ASP B 21 6.814 23.591 -0.287 1.00 0.00 C ATOM 543 CG ASP B 21 6.055 24.696 -1.016 1.00 0.00 C ATOM 544 OD1 ASP B 21 5.856 24.560 -2.212 1.00 0.00 O ATOM 545 OD2 ASP B 21 5.686 25.660 -0.367 1.00 0.00 O ATOM 0 H ASP B 21 7.500 23.822 -2.713 1.00 0.00 H new ATOM 0 HA ASP B 21 7.678 21.669 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.251 23.268 0.589 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.771 23.971 0.071 1.00 0.00 H new ATOM 550 N SER B 22 5.373 21.727 -2.852 1.00 0.00 N ATOM 551 CA SER B 22 4.116 21.138 -3.298 1.00 0.00 C ATOM 552 C SER B 22 4.058 19.656 -2.936 1.00 0.00 C ATOM 553 O SER B 22 3.037 19.162 -2.458 1.00 0.00 O ATOM 554 CB SER B 22 3.977 21.303 -4.811 1.00 0.00 C ATOM 555 OG SER B 22 2.730 20.763 -5.234 1.00 0.00 O ATOM 0 H SER B 22 5.957 22.098 -3.601 1.00 0.00 H new ATOM 0 HA SER B 22 3.295 21.652 -2.798 1.00 0.00 H new ATOM 0 HB2 SER B 22 4.039 22.358 -5.080 1.00 0.00 H new ATOM 0 HB3 SER B 22 4.797 20.796 -5.320 1.00 0.00 H new ATOM 0 HG SER B 22 2.639 20.870 -6.204 1.00 0.00 H new ATOM 561 N SER B 23 5.167 18.951 -3.162 1.00 0.00 N ATOM 562 CA SER B 23 5.251 17.520 -2.857 1.00 0.00 C ATOM 563 C SER B 23 6.567 17.212 -2.145 1.00 0.00 C ATOM 564 O SER B 23 7.644 17.339 -2.727 1.00 0.00 O ATOM 565 CB SER B 23 5.162 16.706 -4.148 1.00 0.00 C ATOM 566 OG SER B 23 5.150 15.320 -3.832 1.00 0.00 O ATOM 0 H SER B 23 6.021 19.347 -3.555 1.00 0.00 H new ATOM 0 HA SER B 23 4.421 17.250 -2.204 1.00 0.00 H new ATOM 0 HB2 SER B 23 4.259 16.973 -4.698 1.00 0.00 H new ATOM 0 HB3 SER B 23 6.009 16.936 -4.795 1.00 0.00 H new ATOM 0 HG SER B 23 5.091 14.797 -4.658 1.00 0.00 H new ATOM 572 N ASP B 24 6.469 16.814 -0.882 1.00 0.00 N ATOM 573 CA ASP B 24 7.653 16.497 -0.090 1.00 0.00 C ATOM 574 C ASP B 24 8.292 15.189 -0.580 1.00 0.00 C ATOM 575 O ASP B 24 7.601 14.341 -1.146 1.00 0.00 O ATOM 576 CB ASP B 24 7.272 16.378 1.397 1.00 0.00 C ATOM 577 CG ASP B 24 6.088 17.292 1.705 1.00 0.00 C ATOM 578 OD1 ASP B 24 6.072 18.400 1.195 1.00 0.00 O ATOM 579 OD2 ASP B 24 5.215 16.869 2.444 1.00 0.00 O ATOM 0 H ASP B 24 5.585 16.703 -0.385 1.00 0.00 H new ATOM 0 HA ASP B 24 8.379 17.301 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.017 15.345 1.634 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.123 16.648 2.022 1.00 0.00 H new ATOM 584 N PRO B 25 9.580 14.993 -0.371 1.00 0.00 N ATOM 585 CA PRO B 25 10.266 13.740 -0.805 1.00 0.00 C ATOM 586 C PRO B 25 9.496 12.490 -0.383 1.00 0.00 C ATOM 587 O PRO B 25 9.440 11.501 -1.113 1.00 0.00 O ATOM 588 CB PRO B 25 11.625 13.802 -0.090 1.00 0.00 C ATOM 589 CG PRO B 25 11.890 15.258 0.127 1.00 0.00 C ATOM 590 CD PRO B 25 10.519 15.933 0.281 1.00 0.00 C ATOM 0 HA PRO B 25 10.349 13.676 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO B 25 11.597 13.262 0.856 1.00 0.00 H new ATOM 0 HB3 PRO B 25 12.409 13.345 -0.694 1.00 0.00 H new ATOM 0 HG2 PRO B 25 12.501 15.413 1.017 1.00 0.00 H new ATOM 0 HG3 PRO B 25 12.439 15.682 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO B 25 10.266 16.087 1.330 1.00 0.00 H new ATOM 0 HD3 PRO B 25 10.500 16.912 -0.198 1.00 0.00 H new ATOM 598 N LEU B 26 8.914 12.538 0.806 1.00 0.00 N ATOM 599 CA LEU B 26 8.156 11.407 1.316 1.00 0.00 C ATOM 600 C LEU B 26 6.928 11.137 0.442 1.00 0.00 C ATOM 601 O LEU B 26 6.582 9.984 0.184 1.00 0.00 O ATOM 602 CB LEU B 26 7.713 11.688 2.760 1.00 0.00 C ATOM 603 CG LEU B 26 8.871 11.422 3.739 1.00 0.00 C ATOM 604 CD1 LEU B 26 9.207 9.918 3.798 1.00 0.00 C ATOM 605 CD2 LEU B 26 10.104 12.216 3.290 1.00 0.00 C ATOM 0 H LEU B 26 8.952 13.343 1.432 1.00 0.00 H new ATOM 0 HA LEU B 26 8.796 10.525 1.295 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.382 12.723 2.851 1.00 0.00 H new ATOM 0 HB3 LEU B 26 6.861 11.058 3.015 1.00 0.00 H new ATOM 0 HG LEU B 26 8.569 11.741 4.737 1.00 0.00 H new ATOM 0 HD11 LEU B 26 10.028 9.756 4.496 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.331 9.362 4.133 1.00 0.00 H new ATOM 0 HD13 LEU B 26 9.500 9.571 2.807 1.00 0.00 H new ATOM 0 HD21 LEU B 26 10.927 12.031 3.980 1.00 0.00 H new ATOM 0 HD22 LEU B 26 10.394 11.902 2.287 1.00 0.00 H new ATOM 0 HD23 LEU B 26 9.869 13.280 3.283 1.00 0.00 H new ATOM 617 N VAL B 27 6.259 12.205 0.012 1.00 0.00 N ATOM 618 CA VAL B 27 5.054 12.063 -0.803 1.00 0.00 C ATOM 619 C VAL B 27 5.359 11.382 -2.136 1.00 0.00 C ATOM 620 O VAL B 27 4.690 10.422 -2.519 1.00 0.00 O ATOM 621 CB VAL B 27 4.458 13.441 -1.075 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.188 13.297 -1.918 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.129 14.131 0.251 1.00 0.00 C ATOM 0 H VAL B 27 6.527 13.169 0.212 1.00 0.00 H new ATOM 0 HA VAL B 27 4.346 11.444 -0.252 1.00 0.00 H new ATOM 0 HB VAL B 27 5.182 14.046 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.765 14.283 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.433 12.816 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.461 12.689 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.704 15.115 0.053 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.409 13.529 0.806 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.040 14.241 0.840 1.00 0.00 H new ATOM 633 N VAL B 28 6.370 11.881 -2.837 1.00 0.00 N ATOM 634 CA VAL B 28 6.748 11.305 -4.124 1.00 0.00 C ATOM 635 C VAL B 28 7.388 9.941 -3.921 1.00 0.00 C ATOM 636 O VAL B 28 7.099 8.986 -4.643 1.00 0.00 O ATOM 637 CB VAL B 28 7.723 12.233 -4.845 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.984 12.420 -4.005 1.00 0.00 C ATOM 639 CG2 VAL B 28 8.096 11.636 -6.202 1.00 0.00 C ATOM 0 H VAL B 28 6.938 12.675 -2.541 1.00 0.00 H new ATOM 0 HA VAL B 28 5.851 11.187 -4.732 1.00 0.00 H new ATOM 0 HB VAL B 28 7.246 13.202 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.674 13.083 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.718 12.857 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL B 28 9.461 11.453 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.792 12.301 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL B 28 8.565 10.663 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.197 11.517 -6.807 1.00 0.00 H new ATOM 649 N ALA B 29 8.259 9.870 -2.930 1.00 0.00 N ATOM 650 CA ALA B 29 8.957 8.627 -2.616 1.00 0.00 C ATOM 651 C ALA B 29 7.964 7.520 -2.289 1.00 0.00 C ATOM 652 O ALA B 29 8.085 6.401 -2.783 1.00 0.00 O ATOM 653 CB ALA B 29 9.892 8.837 -1.422 1.00 0.00 C ATOM 0 H ALA B 29 8.503 10.656 -2.327 1.00 0.00 H new ATOM 0 HA ALA B 29 9.539 8.334 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.408 7.904 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.624 9.607 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.310 9.150 -0.555 1.00 0.00 H new ATOM 659 N ALA B 30 6.980 7.840 -1.455 1.00 0.00 N ATOM 660 CA ALA B 30 5.975 6.859 -1.073 1.00 0.00 C ATOM 661 C ALA B 30 5.165 6.423 -2.289 1.00 0.00 C ATOM 662 O ALA B 30 4.843 5.245 -2.439 1.00 0.00 O ATOM 663 CB ALA B 30 5.038 7.453 -0.019 1.00 0.00 C ATOM 0 H ALA B 30 6.859 8.762 -1.035 1.00 0.00 H new ATOM 0 HA ALA B 30 6.483 5.989 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.289 6.712 0.261 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.614 7.737 0.861 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.542 8.333 -0.428 1.00 0.00 H new ATOM 669 N ASN B 31 4.841 7.379 -3.153 1.00 0.00 N ATOM 670 CA ASN B 31 4.065 7.074 -4.350 1.00 0.00 C ATOM 671 C ASN B 31 4.844 6.152 -5.283 1.00 0.00 C ATOM 672 O ASN B 31 4.291 5.198 -5.828 1.00 0.00 O ATOM 673 CB ASN B 31 3.718 8.365 -5.093 1.00 0.00 C ATOM 674 CG ASN B 31 2.944 8.034 -6.365 1.00 0.00 C ATOM 675 OD1 ASN B 31 3.429 8.385 -7.524 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 1.870 7.436 -6.300 1.00 0.00 N flip ATOM 0 H ASN B 31 5.100 8.360 -3.050 1.00 0.00 H new ATOM 0 HA ASN B 31 3.150 6.570 -4.039 1.00 0.00 H new ATOM 0 HB2 ASN B 31 3.123 9.016 -4.453 1.00 0.00 H new ATOM 0 HB3 ASN B 31 4.629 8.909 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.493 7.162 -5.393 1.00 0.00 H new ATOM 0 HD22 ASN B 31 1.357 7.214 -7.153 1.00 0.00 H new ATOM 683 N ILE B 32 6.127 6.443 -5.467 1.00 0.00 N ATOM 684 CA ILE B 32 6.962 5.628 -6.343 1.00 0.00 C ATOM 685 C ILE B 32 7.093 4.215 -5.786 1.00 0.00 C ATOM 686 O ILE B 32 6.992 3.235 -6.525 1.00 0.00 O ATOM 687 CB ILE B 32 8.347 6.268 -6.481 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.220 7.587 -7.245 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.277 5.326 -7.253 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.529 8.372 -7.135 1.00 0.00 C ATOM 0 H ILE B 32 6.608 7.228 -5.027 1.00 0.00 H new ATOM 0 HA ILE B 32 6.493 5.572 -7.326 1.00 0.00 H new ATOM 0 HB ILE B 32 8.760 6.453 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.988 7.392 -8.292 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.396 8.175 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.261 5.785 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.367 4.382 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.865 5.140 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.437 9.311 -7.680 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.741 8.580 -6.086 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.343 7.784 -7.560 1.00 0.00 H new ATOM 702 N ILE B 33 7.324 4.118 -4.485 1.00 0.00 N ATOM 703 CA ILE B 33 7.472 2.821 -3.837 1.00 0.00 C ATOM 704 C ILE B 33 6.166 2.027 -3.907 1.00 0.00 C ATOM 705 O ILE B 33 6.176 0.829 -4.190 1.00 0.00 O ATOM 706 CB ILE B 33 7.895 3.018 -2.377 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.317 3.594 -2.340 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.870 1.675 -1.645 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.666 4.033 -0.916 1.00 0.00 C ATOM 0 H ILE B 33 7.413 4.918 -3.858 1.00 0.00 H new ATOM 0 HA ILE B 33 8.242 2.255 -4.361 1.00 0.00 H new ATOM 0 HB ILE B 33 7.205 3.705 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE B 33 10.031 2.845 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.393 4.443 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.171 1.820 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.861 1.263 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.559 0.984 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.677 4.441 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.961 4.797 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.609 3.175 -0.246 1.00 0.00 H new ATOM 721 N GLY B 34 5.047 2.696 -3.642 1.00 0.00 N ATOM 722 CA GLY B 34 3.745 2.030 -3.676 1.00 0.00 C ATOM 723 C GLY B 34 3.410 1.549 -5.085 1.00 0.00 C ATOM 724 O GLY B 34 2.963 0.417 -5.278 1.00 0.00 O ATOM 0 H GLY B 34 5.013 3.687 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.749 1.183 -2.990 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.973 2.717 -3.330 1.00 0.00 H new ATOM 728 N ILE B 35 3.635 2.412 -6.065 1.00 0.00 N ATOM 729 CA ILE B 35 3.362 2.069 -7.457 1.00 0.00 C ATOM 730 C ILE B 35 4.262 0.917 -7.898 1.00 0.00 C ATOM 731 O ILE B 35 3.817 -0.018 -8.564 1.00 0.00 O ATOM 732 CB ILE B 35 3.580 3.298 -8.343 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.498 4.339 -8.031 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.485 2.898 -9.817 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.899 5.693 -8.621 1.00 0.00 C ATOM 0 H ILE B 35 4.005 3.352 -5.925 1.00 0.00 H new ATOM 0 HA ILE B 35 2.325 1.749 -7.554 1.00 0.00 H new ATOM 0 HB ILE B 35 4.567 3.716 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.542 4.020 -8.446 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.364 4.427 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.641 3.776 -10.443 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.248 2.152 -10.042 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.499 2.480 -10.018 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.128 6.430 -8.397 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.845 6.014 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE B 35 3.010 5.601 -9.701 1.00 0.00 H new ATOM 747 N LEU B 36 5.532 0.991 -7.511 1.00 0.00 N ATOM 748 CA LEU B 36 6.487 -0.052 -7.861 1.00 0.00 C ATOM 749 C LEU B 36 6.043 -1.385 -7.270 1.00 0.00 C ATOM 750 O LEU B 36 6.187 -2.435 -7.899 1.00 0.00 O ATOM 751 CB LEU B 36 7.886 0.323 -7.347 1.00 0.00 C ATOM 752 CG LEU B 36 8.912 -0.795 -7.692 1.00 0.00 C ATOM 753 CD1 LEU B 36 10.246 -0.172 -8.126 1.00 0.00 C ATOM 754 CD2 LEU B 36 9.161 -1.689 -6.463 1.00 0.00 C ATOM 0 H LEU B 36 5.920 1.756 -6.959 1.00 0.00 H new ATOM 0 HA LEU B 36 6.528 -0.148 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.203 1.266 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.855 0.475 -6.268 1.00 0.00 H new ATOM 0 HG LEU B 36 8.502 -1.395 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU B 36 10.956 -0.963 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU B 36 10.087 0.451 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU B 36 10.643 0.439 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU B 36 9.881 -2.467 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU B 36 9.555 -1.084 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU B 36 8.223 -2.150 -6.153 1.00 0.00 H new ATOM 766 N HIS B 37 5.492 -1.336 -6.061 1.00 0.00 N ATOM 767 CA HIS B 37 5.025 -2.549 -5.406 1.00 0.00 C ATOM 768 C HIS B 37 3.978 -3.232 -6.272 1.00 0.00 C ATOM 769 O HIS B 37 3.978 -4.455 -6.415 1.00 0.00 O ATOM 770 CB HIS B 37 4.409 -2.222 -4.044 1.00 0.00 C ATOM 771 CG HIS B 37 3.976 -3.503 -3.389 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.530 -3.955 -2.203 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.060 -4.457 -3.756 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.949 -5.130 -1.908 1.00 0.00 C ATOM 775 NE2 HIS B 37 3.046 -5.482 -2.821 1.00 0.00 N ATOM 0 H HIS B 37 5.360 -0.480 -5.522 1.00 0.00 H new ATOM 0 HA HIS B 37 5.878 -3.212 -5.263 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.134 -1.703 -3.417 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.557 -1.553 -4.166 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.442 -4.416 -4.641 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.186 -5.719 -1.034 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.469 -6.323 -2.831 1.00 0.00 H new ATOM 783 N LEU B 38 3.087 -2.437 -6.852 1.00 0.00 N ATOM 784 CA LEU B 38 2.035 -2.980 -7.704 1.00 0.00 C ATOM 785 C LEU B 38 2.626 -3.707 -8.905 1.00 0.00 C ATOM 786 O LEU B 38 2.120 -4.746 -9.312 1.00 0.00 O ATOM 787 CB LEU B 38 1.091 -1.850 -8.174 1.00 0.00 C ATOM 788 CG LEU B 38 -0.068 -1.664 -7.171 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.649 -0.255 -7.298 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.178 -2.693 -7.449 1.00 0.00 C ATOM 0 H LEU B 38 3.071 -1.422 -6.750 1.00 0.00 H new ATOM 0 HA LEU B 38 1.462 -3.700 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.649 -0.919 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.692 -2.087 -9.160 1.00 0.00 H new ATOM 0 HG LEU B 38 0.319 -1.810 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.466 -0.133 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.128 0.479 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.024 -0.106 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.991 -2.553 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.556 -2.555 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.774 -3.700 -7.346 1.00 0.00 H new ATOM 802 N ILE B 39 3.685 -3.167 -9.482 1.00 0.00 N ATOM 803 CA ILE B 39 4.280 -3.813 -10.642 1.00 0.00 C ATOM 804 C ILE B 39 4.698 -5.244 -10.297 1.00 0.00 C ATOM 805 O ILE B 39 4.362 -6.187 -11.015 1.00 0.00 O ATOM 806 CB ILE B 39 5.501 -3.015 -11.109 1.00 0.00 C ATOM 807 CG1 ILE B 39 5.045 -1.632 -11.590 1.00 0.00 C ATOM 808 CG2 ILE B 39 6.192 -3.752 -12.261 1.00 0.00 C ATOM 809 CD1 ILE B 39 6.261 -0.735 -11.856 1.00 0.00 C ATOM 0 H ILE B 39 4.142 -2.307 -9.179 1.00 0.00 H new ATOM 0 HA ILE B 39 3.542 -3.846 -11.443 1.00 0.00 H new ATOM 0 HB ILE B 39 6.202 -2.906 -10.281 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.452 -1.733 -12.499 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.402 -1.172 -10.840 1.00 0.00 H new ATOM 0 HG21 ILE B 39 7.060 -3.181 -12.590 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.513 -4.737 -11.922 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.495 -3.864 -13.092 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.924 0.244 -12.197 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.837 -0.621 -10.938 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.888 -1.190 -12.623 1.00 0.00 H new ATOM 821 N LEU B 40 5.422 -5.402 -9.194 1.00 0.00 N ATOM 822 CA LEU B 40 5.873 -6.726 -8.771 1.00 0.00 C ATOM 823 C LEU B 40 4.707 -7.604 -8.300 1.00 0.00 C ATOM 824 O LEU B 40 4.627 -8.784 -8.647 1.00 0.00 O ATOM 825 CB LEU B 40 6.895 -6.582 -7.642 1.00 0.00 C ATOM 826 CG LEU B 40 8.001 -5.608 -8.067 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.994 -5.432 -6.913 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.736 -6.153 -9.304 1.00 0.00 C ATOM 0 H LEU B 40 5.708 -4.639 -8.581 1.00 0.00 H new ATOM 0 HA LEU B 40 6.330 -7.214 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.405 -6.219 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.326 -7.554 -7.402 1.00 0.00 H new ATOM 0 HG LEU B 40 7.555 -4.645 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.781 -4.740 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.473 -5.034 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.435 -6.397 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.520 -5.455 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.181 -7.119 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.029 -6.272 -10.125 1.00 0.00 H new ATOM 840 N TRP B 41 3.811 -7.029 -7.502 1.00 0.00 N ATOM 841 CA TRP B 41 2.664 -7.776 -6.980 1.00 0.00 C ATOM 842 C TRP B 41 1.718 -8.183 -8.109 1.00 0.00 C ATOM 843 O TRP B 41 1.145 -9.272 -8.086 1.00 0.00 O ATOM 844 CB TRP B 41 1.934 -6.948 -5.921 1.00 0.00 C ATOM 845 CG TRP B 41 0.702 -7.666 -5.456 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.660 -8.614 -4.488 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.673 -7.470 -5.890 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.650 -9.026 -4.324 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.507 -8.344 -5.161 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.265 -6.624 -6.838 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.883 -8.376 -5.370 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.651 -6.652 -7.046 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.456 -7.525 -6.313 1.00 0.00 C ATOM 0 H TRP B 41 3.854 -6.055 -7.203 1.00 0.00 H new ATOM 0 HA TRP B 41 3.029 -8.690 -6.511 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.596 -6.762 -5.075 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.663 -5.976 -6.333 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.510 -8.986 -3.936 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.946 -9.746 -3.665 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.650 -5.947 -7.412 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.503 -9.056 -4.805 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.098 -5.995 -7.777 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.523 -7.541 -6.477 1.00 0.00 H new ATOM 864 N ILE B 42 1.565 -7.309 -9.100 1.00 0.00 N ATOM 865 CA ILE B 42 0.690 -7.594 -10.236 1.00 0.00 C ATOM 866 C ILE B 42 1.200 -8.829 -10.981 1.00 0.00 C ATOM 867 O ILE B 42 0.418 -9.689 -11.381 1.00 0.00 O ATOM 868 CB ILE B 42 0.647 -6.376 -11.184 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.299 -5.311 -10.614 1.00 0.00 C ATOM 870 CG2 ILE B 42 0.150 -6.793 -12.579 1.00 0.00 C ATOM 871 CD1 ILE B 42 -0.031 -3.967 -11.298 1.00 0.00 C ATOM 0 H ILE B 42 2.032 -6.403 -9.141 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.319 -7.791 -9.874 1.00 0.00 H new ATOM 0 HB ILE B 42 1.655 -5.971 -11.271 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.336 -5.610 -10.770 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -0.153 -5.218 -9.538 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.127 -5.921 -13.233 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.823 -7.541 -12.996 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -0.853 -7.212 -12.498 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.704 -3.212 -10.892 1.00 0.00 H new ATOM 0 HD12 ILE B 42 1.002 -3.667 -11.119 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.200 -4.064 -12.370 1.00 0.00 H new ATOM 883 N LEU B 43 2.511 -8.908 -11.170 1.00 0.00 N ATOM 884 CA LEU B 43 3.096 -10.043 -11.870 1.00 0.00 C ATOM 885 C LEU B 43 2.800 -11.341 -11.117 1.00 0.00 C ATOM 886 O LEU B 43 2.506 -12.370 -11.728 1.00 0.00 O ATOM 887 CB LEU B 43 4.611 -9.854 -12.000 1.00 0.00 C ATOM 888 CG LEU B 43 4.916 -8.698 -12.968 1.00 0.00 C ATOM 889 CD1 LEU B 43 6.400 -8.329 -12.859 1.00 0.00 C ATOM 890 CD2 LEU B 43 4.591 -9.105 -14.421 1.00 0.00 C ATOM 0 H LEU B 43 3.182 -8.209 -10.853 1.00 0.00 H new ATOM 0 HA LEU B 43 2.655 -10.104 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.045 -9.645 -11.022 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.071 -10.774 -12.362 1.00 0.00 H new ATOM 0 HG LEU B 43 4.297 -7.841 -12.701 1.00 0.00 H new ATOM 0 HD11 LEU B 43 6.622 -7.510 -13.543 1.00 0.00 H new ATOM 0 HD12 LEU B 43 6.624 -8.020 -11.838 1.00 0.00 H new ATOM 0 HD13 LEU B 43 7.010 -9.194 -13.118 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.814 -8.274 -15.090 1.00 0.00 H new ATOM 0 HD22 LEU B 43 5.195 -9.968 -14.701 1.00 0.00 H new ATOM 0 HD23 LEU B 43 3.534 -9.361 -14.499 1.00 0.00 H new ATOM 902 N ASP B 44 2.877 -11.284 -9.790 1.00 0.00 N ATOM 903 CA ASP B 44 2.615 -12.461 -8.965 1.00 0.00 C ATOM 904 C ASP B 44 1.162 -12.917 -9.108 1.00 0.00 C ATOM 905 O ASP B 44 0.861 -14.104 -8.991 1.00 0.00 O ATOM 906 CB ASP B 44 2.903 -12.151 -7.494 1.00 0.00 C ATOM 907 CG ASP B 44 4.407 -12.044 -7.263 1.00 0.00 C ATOM 908 OD1 ASP B 44 5.152 -12.365 -8.174 1.00 0.00 O ATOM 909 OD2 ASP B 44 4.791 -11.645 -6.177 1.00 0.00 O ATOM 0 H ASP B 44 3.117 -10.443 -9.266 1.00 0.00 H new ATOM 0 HA ASP B 44 3.272 -13.261 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP B 44 2.417 -11.218 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.485 -12.934 -6.861 1.00 0.00 H new ATOM 914 N ARG B 45 0.265 -11.967 -9.354 1.00 0.00 N ATOM 915 CA ARG B 45 -1.153 -12.280 -9.502 1.00 0.00 C ATOM 916 C ARG B 45 -1.357 -13.285 -10.631 1.00 0.00 C ATOM 917 O ARG B 45 -2.201 -14.177 -10.538 1.00 0.00 O ATOM 918 CB ARG B 45 -1.946 -11.003 -9.801 1.00 0.00 C ATOM 919 CG ARG B 45 -3.446 -11.319 -9.858 1.00 0.00 C ATOM 920 CD ARG B 45 -4.225 -10.034 -10.149 1.00 0.00 C ATOM 921 NE ARG B 45 -5.655 -10.321 -10.231 1.00 0.00 N ATOM 922 CZ ARG B 45 -6.424 -10.323 -9.146 1.00 0.00 C ATOM 923 NH1 ARG B 45 -5.906 -10.067 -7.977 1.00 0.00 N ATOM 924 NH2 ARG B 45 -7.699 -10.583 -9.249 1.00 0.00 N ATOM 0 H ARG B 45 0.493 -10.978 -9.455 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.511 -12.715 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.752 -10.256 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.620 -10.576 -10.749 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -3.644 -12.060 -10.632 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -3.774 -11.750 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -4.038 -9.301 -9.365 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.880 -9.595 -11.085 1.00 0.00 H new ATOM 0 HE ARG B 45 -6.072 -10.524 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.910 -9.865 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -6.497 -10.069 -7.146 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -8.106 -10.785 -10.162 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -8.288 -10.584 -8.416 1.00 0.00 H new ATOM 938 N LEU B 46 -0.584 -13.130 -11.699 1.00 0.00 N ATOM 939 CA LEU B 46 -0.691 -14.026 -12.844 1.00 0.00 C ATOM 940 C LEU B 46 -0.377 -15.462 -12.434 1.00 0.00 C ATOM 941 O LEU B 46 -1.053 -16.399 -12.855 1.00 0.00 O ATOM 942 CB LEU B 46 0.290 -13.586 -13.936 1.00 0.00 C ATOM 943 CG LEU B 46 -0.158 -12.248 -14.546 1.00 0.00 C ATOM 944 CD1 LEU B 46 0.982 -11.680 -15.398 1.00 0.00 C ATOM 945 CD2 LEU B 46 -1.410 -12.442 -15.424 1.00 0.00 C ATOM 0 H LEU B 46 0.119 -12.398 -11.796 1.00 0.00 H new ATOM 0 HA LEU B 46 -1.712 -13.982 -13.223 1.00 0.00 H new ATOM 0 HB2 LEU B 46 1.291 -13.485 -13.516 1.00 0.00 H new ATOM 0 HB3 LEU B 46 0.345 -14.348 -14.714 1.00 0.00 H new ATOM 0 HG LEU B 46 -0.405 -11.556 -13.740 1.00 0.00 H new ATOM 0 HD11 LEU B 46 0.672 -10.731 -15.834 1.00 0.00 H new ATOM 0 HD12 LEU B 46 1.860 -11.522 -14.772 1.00 0.00 H new ATOM 0 HD13 LEU B 46 1.226 -12.383 -16.195 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -1.711 -11.483 -15.846 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -1.184 -13.139 -16.231 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -2.222 -12.841 -14.817 1.00 0.00 H new ATOM 957 N PHE B 47 0.652 -15.626 -11.608 1.00 0.00 N ATOM 958 CA PHE B 47 1.049 -16.954 -11.143 1.00 0.00 C ATOM 959 C PHE B 47 0.272 -17.334 -9.887 1.00 0.00 C ATOM 960 O PHE B 47 0.428 -18.435 -9.357 1.00 0.00 O ATOM 961 CB PHE B 47 2.549 -16.969 -10.845 1.00 0.00 C ATOM 962 CG PHE B 47 3.309 -16.778 -12.136 1.00 0.00 C ATOM 963 CD1 PHE B 47 3.359 -15.513 -12.734 1.00 0.00 C ATOM 964 CD2 PHE B 47 3.960 -17.863 -12.740 1.00 0.00 C ATOM 965 CE1 PHE B 47 4.059 -15.329 -13.931 1.00 0.00 C ATOM 966 CE2 PHE B 47 4.660 -17.680 -13.937 1.00 0.00 C ATOM 967 CZ PHE B 47 4.710 -16.413 -14.535 1.00 0.00 C ATOM 0 H PHE B 47 1.224 -14.862 -11.248 1.00 0.00 H new ATOM 0 HA PHE B 47 0.826 -17.679 -11.925 1.00 0.00 H new ATOM 0 HB2 PHE B 47 2.801 -16.177 -10.139 1.00 0.00 H new ATOM 0 HB3 PHE B 47 2.831 -17.913 -10.378 1.00 0.00 H new ATOM 0 HD1 PHE B 47 2.856 -14.677 -12.270 1.00 0.00 H new ATOM 0 HD2 PHE B 47 3.921 -18.840 -12.281 1.00 0.00 H new ATOM 0 HE1 PHE B 47 4.098 -14.352 -14.389 1.00 0.00 H new ATOM 0 HE2 PHE B 47 5.163 -18.516 -14.401 1.00 0.00 H new ATOM 0 HZ PHE B 47 5.250 -16.273 -15.460 1.00 0.00 H new ATOM 977 N PHE B 48 -0.567 -16.415 -9.418 1.00 0.00 N ATOM 978 CA PHE B 48 -1.370 -16.659 -8.223 1.00 0.00 C ATOM 979 C PHE B 48 -2.603 -15.763 -8.218 1.00 0.00 C ATOM 980 O PHE B 48 -2.698 -14.828 -7.423 1.00 0.00 O ATOM 981 CB PHE B 48 -0.537 -16.390 -6.970 1.00 0.00 C ATOM 982 CG PHE B 48 0.517 -17.463 -6.826 1.00 0.00 C ATOM 983 CD1 PHE B 48 0.222 -18.646 -6.140 1.00 0.00 C ATOM 984 CD2 PHE B 48 1.789 -17.274 -7.382 1.00 0.00 C ATOM 985 CE1 PHE B 48 1.197 -19.642 -6.007 1.00 0.00 C ATOM 986 CE2 PHE B 48 2.764 -18.270 -7.250 1.00 0.00 C ATOM 987 CZ PHE B 48 2.469 -19.453 -6.563 1.00 0.00 C ATOM 0 H PHE B 48 -0.709 -15.499 -9.844 1.00 0.00 H new ATOM 0 HA PHE B 48 -1.690 -17.701 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE B 48 -0.066 -15.409 -7.037 1.00 0.00 H new ATOM 0 HB3 PHE B 48 -1.179 -16.376 -6.089 1.00 0.00 H new ATOM 0 HD1 PHE B 48 -0.759 -18.791 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE B 48 2.017 -16.361 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE B 48 0.969 -20.555 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE B 48 3.745 -18.125 -7.679 1.00 0.00 H new ATOM 0 HZ PHE B 48 3.222 -20.220 -6.461 1.00 0.00 H new ATOM 997 N LYS B 49 -3.544 -16.059 -9.108 1.00 0.00 N ATOM 998 CA LYS B 49 -4.771 -15.274 -9.198 1.00 0.00 C ATOM 999 C LYS B 49 -5.766 -15.714 -8.129 1.00 0.00 C ATOM 1000 O LYS B 49 -5.324 -16.183 -7.092 1.00 0.00 O ATOM 1001 CB LYS B 49 -5.398 -15.434 -10.585 1.00 0.00 C ATOM 1002 CG LYS B 49 -5.740 -16.907 -10.832 1.00 0.00 C ATOM 1003 CD LYS B 49 -6.304 -17.069 -12.245 1.00 0.00 C ATOM 1004 CE LYS B 49 -6.633 -18.543 -12.496 1.00 0.00 C ATOM 1005 NZ LYS B 49 -7.194 -18.699 -13.868 1.00 0.00 N ATOM 1006 OXT LYS B 49 -6.955 -15.573 -8.361 1.00 0.00 O ATOM 0 H LYS B 49 -3.483 -16.830 -9.773 1.00 0.00 H new ATOM 0 HA LYS B 49 -4.522 -14.225 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.298 -14.824 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -4.708 -15.078 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.849 -17.523 -10.711 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.468 -17.251 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -7.200 -16.460 -12.363 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -5.580 -16.716 -12.980 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -5.735 -19.151 -12.387 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -7.350 -18.898 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.418 -19.700 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.060 -18.130 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -6.496 -18.376 -14.567 1.00 0.00 H new TER 1020 LYS B 49 ATOM 1021 N SER C 19 5.824 22.063 14.830 1.00 0.00 N ATOM 1022 CA SER C 19 7.272 22.316 14.587 1.00 0.00 C ATOM 1023 C SER C 19 7.552 22.249 13.089 1.00 0.00 C ATOM 1024 O SER C 19 8.243 23.107 12.538 1.00 0.00 O ATOM 1025 CB SER C 19 8.101 21.262 15.322 1.00 0.00 C ATOM 1026 OG SER C 19 7.849 21.356 16.718 1.00 0.00 O ATOM 0 HA SER C 19 7.542 23.305 14.957 1.00 0.00 H new ATOM 0 HB2 SER C 19 7.846 20.266 14.961 1.00 0.00 H new ATOM 0 HB3 SER C 19 9.162 21.412 15.121 1.00 0.00 H new ATOM 0 HG SER C 19 6.905 21.572 16.866 1.00 0.00 H new ATOM 1034 N ASN C 20 7.011 21.221 12.434 1.00 0.00 N ATOM 1035 CA ASN C 20 7.203 21.041 10.994 1.00 0.00 C ATOM 1036 C ASN C 20 5.885 20.662 10.325 1.00 0.00 C ATOM 1037 O ASN C 20 5.406 19.538 10.466 1.00 0.00 O ATOM 1038 CB ASN C 20 8.235 19.942 10.742 1.00 0.00 C ATOM 1039 CG ASN C 20 8.512 19.817 9.246 1.00 0.00 C ATOM 1040 OD1 ASN C 20 8.495 20.815 8.526 1.00 0.00 O ATOM 1041 ND2 ASN C 20 8.769 18.644 8.737 1.00 0.00 N ATOM 0 H ASN C 20 6.438 20.502 12.876 1.00 0.00 H new ATOM 0 HA ASN C 20 7.559 21.980 10.571 1.00 0.00 H new ATOM 0 HB2 ASN C 20 9.159 20.171 11.273 1.00 0.00 H new ATOM 0 HB3 ASN C 20 7.870 18.992 11.133 1.00 0.00 H new ATOM 0 HD21 ASN C 20 8.957 18.551 7.739 1.00 0.00 H new ATOM 0 HD22 ASN C 20 8.782 17.819 9.337 1.00 0.00 H new ATOM 1048 N ASP C 21 5.304 21.610 9.592 1.00 0.00 N ATOM 1049 CA ASP C 21 4.041 21.369 8.897 1.00 0.00 C ATOM 1050 C ASP C 21 4.297 20.804 7.504 1.00 0.00 C ATOM 1051 O ASP C 21 3.363 20.527 6.753 1.00 0.00 O ATOM 1052 CB ASP C 21 3.253 22.675 8.780 1.00 0.00 C ATOM 1053 CG ASP C 21 4.112 23.743 8.111 1.00 0.00 C ATOM 1054 OD1 ASP C 21 5.284 23.481 7.895 1.00 0.00 O ATOM 1055 OD2 ASP C 21 3.586 24.806 7.828 1.00 0.00 O ATOM 0 H ASP C 21 5.685 22.547 9.464 1.00 0.00 H new ATOM 0 HA ASP C 21 3.464 20.645 9.472 1.00 0.00 H new ATOM 0 HB2 ASP C 21 2.345 22.511 8.200 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.943 23.012 9.769 1.00 0.00 H new ATOM 1060 N SER C 22 5.572 20.639 7.165 1.00 0.00 N ATOM 1061 CA SER C 22 5.946 20.109 5.858 1.00 0.00 C ATOM 1062 C SER C 22 5.406 18.692 5.678 1.00 0.00 C ATOM 1063 O SER C 22 4.875 18.349 4.622 1.00 0.00 O ATOM 1064 CB SER C 22 7.469 20.100 5.722 1.00 0.00 C ATOM 1065 OG SER C 22 7.826 19.620 4.433 1.00 0.00 O ATOM 0 H SER C 22 6.360 20.863 7.773 1.00 0.00 H new ATOM 0 HA SER C 22 5.514 20.747 5.087 1.00 0.00 H new ATOM 0 HB2 SER C 22 7.864 21.105 5.870 1.00 0.00 H new ATOM 0 HB3 SER C 22 7.910 19.468 6.492 1.00 0.00 H new ATOM 0 HG SER C 22 8.802 19.615 4.344 1.00 0.00 H new ATOM 1071 N SER C 23 5.541 17.874 6.723 1.00 0.00 N ATOM 1072 CA SER C 23 5.061 16.490 6.689 1.00 0.00 C ATOM 1073 C SER C 23 4.314 16.159 7.977 1.00 0.00 C ATOM 1074 O SER C 23 4.905 16.119 9.057 1.00 0.00 O ATOM 1075 CB SER C 23 6.246 15.535 6.520 1.00 0.00 C ATOM 1076 OG SER C 23 5.761 14.204 6.391 1.00 0.00 O ATOM 0 H SER C 23 5.979 18.145 7.604 1.00 0.00 H new ATOM 0 HA SER C 23 4.380 16.374 5.846 1.00 0.00 H new ATOM 0 HB2 SER C 23 6.827 15.810 5.640 1.00 0.00 H new ATOM 0 HB3 SER C 23 6.914 15.610 7.378 1.00 0.00 H new ATOM 0 HG SER C 23 6.517 13.590 6.281 1.00 0.00 H new ATOM 1082 N ASP C 24 3.013 15.929 7.854 1.00 0.00 N ATOM 1083 CA ASP C 24 2.184 15.611 9.014 1.00 0.00 C ATOM 1084 C ASP C 24 2.508 14.204 9.537 1.00 0.00 C ATOM 1085 O ASP C 24 2.968 13.355 8.772 1.00 0.00 O ATOM 1086 CB ASP C 24 0.694 15.704 8.629 1.00 0.00 C ATOM 1087 CG ASP C 24 0.504 16.751 7.534 1.00 0.00 C ATOM 1088 OD1 ASP C 24 1.147 17.785 7.613 1.00 0.00 O ATOM 1089 OD2 ASP C 24 -0.280 16.501 6.633 1.00 0.00 O ATOM 0 H ASP C 24 2.509 15.956 6.968 1.00 0.00 H new ATOM 0 HA ASP C 24 2.396 16.330 9.806 1.00 0.00 H new ATOM 0 HB2 ASP C 24 0.338 14.734 8.282 1.00 0.00 H new ATOM 0 HB3 ASP C 24 0.099 15.968 9.504 1.00 0.00 H new ATOM 1094 N PRO C 25 2.273 13.928 10.802 1.00 0.00 N ATOM 1095 CA PRO C 25 2.548 12.575 11.379 1.00 0.00 C ATOM 1096 C PRO C 25 1.977 11.455 10.508 1.00 0.00 C ATOM 1097 O PRO C 25 2.581 10.395 10.361 1.00 0.00 O ATOM 1098 CB PRO C 25 1.841 12.610 12.742 1.00 0.00 C ATOM 1099 CG PRO C 25 1.803 14.052 13.131 1.00 0.00 C ATOM 1100 CD PRO C 25 1.738 14.856 11.824 1.00 0.00 C ATOM 0 HA PRO C 25 3.616 12.371 11.450 1.00 0.00 H new ATOM 0 HB2 PRO C 25 0.836 12.195 12.674 1.00 0.00 H new ATOM 0 HB3 PRO C 25 2.381 12.018 13.480 1.00 0.00 H new ATOM 0 HG2 PRO C 25 0.937 14.262 13.759 1.00 0.00 H new ATOM 0 HG3 PRO C 25 2.687 14.321 13.708 1.00 0.00 H new ATOM 0 HD2 PRO C 25 0.717 15.158 11.592 1.00 0.00 H new ATOM 0 HD3 PRO C 25 2.334 15.767 11.886 1.00 0.00 H new ATOM 1108 N LEU C 26 0.804 11.698 9.942 1.00 0.00 N ATOM 1109 CA LEU C 26 0.162 10.705 9.095 1.00 0.00 C ATOM 1110 C LEU C 26 1.001 10.438 7.842 1.00 0.00 C ATOM 1111 O LEU C 26 1.119 9.296 7.396 1.00 0.00 O ATOM 1112 CB LEU C 26 -1.236 11.195 8.690 1.00 0.00 C ATOM 1113 CG LEU C 26 -2.240 10.957 9.830 1.00 0.00 C ATOM 1114 CD1 LEU C 26 -2.487 9.447 10.044 1.00 0.00 C ATOM 1115 CD2 LEU C 26 -1.699 11.584 11.120 1.00 0.00 C ATOM 0 H LEU C 26 0.281 12.567 10.053 1.00 0.00 H new ATOM 0 HA LEU C 26 0.073 9.775 9.657 1.00 0.00 H new ATOM 0 HB2 LEU C 26 -1.199 12.257 8.445 1.00 0.00 H new ATOM 0 HB3 LEU C 26 -1.565 10.672 7.792 1.00 0.00 H new ATOM 0 HG LEU C 26 -3.189 11.421 9.562 1.00 0.00 H new ATOM 0 HD11 LEU C 26 -3.201 9.307 10.856 1.00 0.00 H new ATOM 0 HD12 LEU C 26 -2.888 9.011 9.129 1.00 0.00 H new ATOM 0 HD13 LEU C 26 -1.547 8.957 10.298 1.00 0.00 H new ATOM 0 HD21 LEU C 26 -2.408 11.417 11.931 1.00 0.00 H new ATOM 0 HD22 LEU C 26 -0.743 11.126 11.374 1.00 0.00 H new ATOM 0 HD23 LEU C 26 -1.560 12.655 10.974 1.00 0.00 H new ATOM 1127 N VAL C 27 1.559 11.499 7.263 1.00 0.00 N ATOM 1128 CA VAL C 27 2.356 11.363 6.044 1.00 0.00 C ATOM 1129 C VAL C 27 3.592 10.499 6.280 1.00 0.00 C ATOM 1130 O VAL C 27 3.857 9.559 5.529 1.00 0.00 O ATOM 1131 CB VAL C 27 2.801 12.746 5.567 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.647 12.606 4.300 1.00 0.00 C ATOM 1133 CG2 VAL C 27 1.573 13.612 5.278 1.00 0.00 C ATOM 0 H VAL C 27 1.476 12.453 7.613 1.00 0.00 H new ATOM 0 HA VAL C 27 1.735 10.881 5.289 1.00 0.00 H new ATOM 0 HB VAL C 27 3.398 13.221 6.346 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.963 13.593 3.962 1.00 0.00 H new ATOM 0 HG12 VAL C 27 4.526 11.998 4.515 1.00 0.00 H new ATOM 0 HG13 VAL C 27 3.056 12.127 3.519 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.894 14.597 4.938 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.969 13.140 4.503 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.980 13.717 6.186 1.00 0.00 H new ATOM 1143 N VAL C 28 4.349 10.821 7.323 1.00 0.00 N ATOM 1144 CA VAL C 28 5.553 10.061 7.641 1.00 0.00 C ATOM 1145 C VAL C 28 5.183 8.682 8.163 1.00 0.00 C ATOM 1146 O VAL C 28 5.782 7.675 7.790 1.00 0.00 O ATOM 1147 CB VAL C 28 6.380 10.808 8.684 1.00 0.00 C ATOM 1148 CG1 VAL C 28 5.567 10.989 9.963 1.00 0.00 C ATOM 1149 CG2 VAL C 28 7.653 10.018 8.995 1.00 0.00 C ATOM 0 H VAL C 28 4.153 11.595 7.957 1.00 0.00 H new ATOM 0 HA VAL C 28 6.145 9.945 6.733 1.00 0.00 H new ATOM 0 HB VAL C 28 6.648 11.788 8.289 1.00 0.00 H new ATOM 0 HG11 VAL C 28 6.165 11.523 10.702 1.00 0.00 H new ATOM 0 HG12 VAL C 28 4.666 11.561 9.743 1.00 0.00 H new ATOM 0 HG13 VAL C 28 5.289 10.012 10.359 1.00 0.00 H new ATOM 0 HG21 VAL C 28 8.241 10.554 9.740 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.386 9.035 9.383 1.00 0.00 H new ATOM 0 HG23 VAL C 28 8.240 9.901 8.084 1.00 0.00 H new ATOM 1159 N ALA C 29 4.188 8.660 9.035 1.00 0.00 N ATOM 1160 CA ALA C 29 3.721 7.410 9.628 1.00 0.00 C ATOM 1161 C ALA C 29 3.265 6.440 8.544 1.00 0.00 C ATOM 1162 O ALA C 29 3.617 5.261 8.567 1.00 0.00 O ATOM 1163 CB ALA C 29 2.558 7.681 10.583 1.00 0.00 C ATOM 0 H ALA C 29 3.686 9.491 9.350 1.00 0.00 H new ATOM 0 HA ALA C 29 4.549 6.966 10.180 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.219 6.741 11.019 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.888 8.351 11.377 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.737 8.144 10.035 1.00 0.00 H new ATOM 1169 N ALA C 30 2.480 6.944 7.599 1.00 0.00 N ATOM 1170 CA ALA C 30 1.983 6.105 6.515 1.00 0.00 C ATOM 1171 C ALA C 30 3.140 5.594 5.662 1.00 0.00 C ATOM 1172 O ALA C 30 3.147 4.439 5.238 1.00 0.00 O ATOM 1173 CB ALA C 30 1.014 6.900 5.640 1.00 0.00 C ATOM 0 H ALA C 30 2.177 7.917 7.561 1.00 0.00 H new ATOM 0 HA ALA C 30 1.461 5.252 6.950 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.648 6.265 4.833 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.173 7.240 6.244 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.529 7.763 5.218 1.00 0.00 H new ATOM 1179 N ASN C 31 4.115 6.461 5.413 1.00 0.00 N ATOM 1180 CA ASN C 31 5.268 6.079 4.605 1.00 0.00 C ATOM 1181 C ASN C 31 6.079 4.987 5.296 1.00 0.00 C ATOM 1182 O ASN C 31 6.504 4.024 4.659 1.00 0.00 O ATOM 1183 CB ASN C 31 6.165 7.294 4.364 1.00 0.00 C ATOM 1184 CG ASN C 31 7.392 6.878 3.557 1.00 0.00 C ATOM 1185 OD1 ASN C 31 8.581 7.022 4.070 1.00 0.00 O flip ATOM 1186 ND2 ASN C 31 7.260 6.403 2.427 1.00 0.00 N flip ATOM 0 H ASN C 31 4.132 7.422 5.754 1.00 0.00 H new ATOM 0 HA ASN C 31 4.900 5.697 3.653 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.611 8.066 3.830 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.474 7.725 5.317 1.00 0.00 H new ATOM 0 HD21 ASN C 31 6.329 6.291 2.027 1.00 0.00 H new ATOM 0 HD22 ASN C 31 8.082 6.122 1.893 1.00 0.00 H new ATOM 1193 N ILE C 32 6.292 5.143 6.598 1.00 0.00 N ATOM 1194 CA ILE C 32 7.059 4.159 7.355 1.00 0.00 C ATOM 1195 C ILE C 32 6.334 2.817 7.370 1.00 0.00 C ATOM 1196 O ILE C 32 6.946 1.767 7.180 1.00 0.00 O ATOM 1197 CB ILE C 32 7.272 4.656 8.788 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.192 5.878 8.768 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.920 3.551 9.629 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.174 6.556 10.141 1.00 0.00 C ATOM 0 H ILE C 32 5.949 5.932 7.147 1.00 0.00 H new ATOM 0 HA ILE C 32 8.028 4.025 6.875 1.00 0.00 H new ATOM 0 HB ILE C 32 6.309 4.924 9.223 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.208 5.577 8.513 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.865 6.579 8.000 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.070 3.909 10.648 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.270 2.676 9.644 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.882 3.280 9.195 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.830 7.426 10.126 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.158 6.871 10.378 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.522 5.853 10.898 1.00 0.00 H new ATOM 1212 N ILE C 33 5.027 2.862 7.601 1.00 0.00 N ATOM 1213 CA ILE C 33 4.226 1.646 7.644 1.00 0.00 C ATOM 1214 C ILE C 33 4.202 0.962 6.276 1.00 0.00 C ATOM 1215 O ILE C 33 4.336 -0.258 6.182 1.00 0.00 O ATOM 1216 CB ILE C 33 2.800 1.983 8.094 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.830 2.434 9.559 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.907 0.747 7.961 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.468 3.016 9.957 1.00 0.00 C ATOM 0 H ILE C 33 4.503 3.722 7.760 1.00 0.00 H new ATOM 0 HA ILE C 33 4.675 0.957 8.359 1.00 0.00 H new ATOM 0 HB ILE C 33 2.401 2.781 7.468 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.076 1.590 10.203 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.610 3.182 9.702 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.895 0.993 8.282 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.888 0.422 6.921 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.301 -0.055 8.585 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.499 3.334 10.999 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.239 3.873 9.323 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.697 2.256 9.832 1.00 0.00 H new ATOM 1231 N GLY C 34 4.024 1.752 5.218 1.00 0.00 N ATOM 1232 CA GLY C 34 3.980 1.201 3.865 1.00 0.00 C ATOM 1233 C GLY C 34 5.321 0.578 3.479 1.00 0.00 C ATOM 1234 O GLY C 34 5.372 -0.526 2.938 1.00 0.00 O ATOM 0 H GLY C 34 3.909 2.764 5.270 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.194 0.448 3.801 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.725 1.989 3.157 1.00 0.00 H new ATOM 1238 N ILE C 35 6.399 1.294 3.769 1.00 0.00 N ATOM 1239 CA ILE C 35 7.739 0.806 3.458 1.00 0.00 C ATOM 1240 C ILE C 35 8.033 -0.461 4.256 1.00 0.00 C ATOM 1241 O ILE C 35 8.582 -1.432 3.727 1.00 0.00 O ATOM 1242 CB ILE C 35 8.768 1.894 3.773 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.588 3.056 2.787 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.182 1.326 3.633 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.336 4.285 3.301 1.00 0.00 C ATOM 0 H ILE C 35 6.374 2.210 4.217 1.00 0.00 H new ATOM 0 HA ILE C 35 7.799 0.564 2.397 1.00 0.00 H new ATOM 0 HB ILE C 35 8.622 2.247 4.794 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.964 2.774 1.804 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.529 3.285 2.669 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.911 2.105 3.858 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.311 0.496 4.328 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.333 0.972 2.613 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.207 5.109 2.599 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.939 4.572 4.275 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.397 4.052 3.396 1.00 0.00 H new ATOM 1257 N LEU C 36 7.654 -0.448 5.528 1.00 0.00 N ATOM 1258 CA LEU C 36 7.872 -1.602 6.388 1.00 0.00 C ATOM 1259 C LEU C 36 7.124 -2.810 5.838 1.00 0.00 C ATOM 1260 O LEU C 36 7.619 -3.939 5.887 1.00 0.00 O ATOM 1261 CB LEU C 36 7.403 -1.289 7.819 1.00 0.00 C ATOM 1262 CG LEU C 36 7.606 -2.525 8.742 1.00 0.00 C ATOM 1263 CD1 LEU C 36 8.110 -2.076 10.121 1.00 0.00 C ATOM 1264 CD2 LEU C 36 6.278 -3.279 8.923 1.00 0.00 C ATOM 0 H LEU C 36 7.198 0.343 5.983 1.00 0.00 H new ATOM 0 HA LEU C 36 8.937 -1.831 6.412 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.960 -0.439 8.213 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.351 -1.004 7.809 1.00 0.00 H new ATOM 0 HG LEU C 36 8.340 -3.183 8.276 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.249 -2.948 10.759 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.060 -1.554 10.009 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.379 -1.407 10.575 1.00 0.00 H new ATOM 0 HD21 LEU C 36 6.435 -4.141 9.571 1.00 0.00 H new ATOM 0 HD22 LEU C 36 5.541 -2.615 9.375 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.916 -3.616 7.952 1.00 0.00 H new ATOM 1276 N HIS C 37 5.931 -2.568 5.304 1.00 0.00 N ATOM 1277 CA HIS C 37 5.134 -3.646 4.740 1.00 0.00 C ATOM 1278 C HIS C 37 5.911 -4.339 3.631 1.00 0.00 C ATOM 1279 O HIS C 37 5.901 -5.566 3.524 1.00 0.00 O ATOM 1280 CB HIS C 37 3.824 -3.102 4.168 1.00 0.00 C ATOM 1281 CG HIS C 37 3.015 -4.251 3.636 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.783 -4.599 4.161 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.263 -5.160 2.636 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.344 -5.674 3.485 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.207 -6.055 2.546 1.00 0.00 N ATOM 0 H HIS C 37 5.500 -1.645 5.251 1.00 0.00 H new ATOM 0 HA HIS C 37 4.909 -4.358 5.534 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.266 -2.573 4.940 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.028 -2.384 3.374 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.146 -5.175 2.014 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.404 -6.169 3.680 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.112 -6.838 1.899 1.00 0.00 H new ATOM 1293 N LEU C 38 6.589 -3.548 2.808 1.00 0.00 N ATOM 1294 CA LEU C 38 7.368 -4.100 1.706 1.00 0.00 C ATOM 1295 C LEU C 38 8.470 -5.018 2.225 1.00 0.00 C ATOM 1296 O LEU C 38 8.748 -6.051 1.627 1.00 0.00 O ATOM 1297 CB LEU C 38 7.980 -2.959 0.863 1.00 0.00 C ATOM 1298 CG LEU C 38 7.012 -2.551 -0.271 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.312 -1.122 -0.724 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.175 -3.506 -1.470 1.00 0.00 C ATOM 0 H LEU C 38 6.616 -2.531 2.881 1.00 0.00 H new ATOM 0 HA LEU C 38 6.700 -4.689 1.077 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.188 -2.099 1.499 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.932 -3.280 0.440 1.00 0.00 H new ATOM 0 HG LEU C 38 5.990 -2.607 0.104 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.626 -0.842 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.187 -0.440 0.117 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.337 -1.064 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.490 -3.212 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.200 -3.457 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.951 -4.526 -1.156 1.00 0.00 H new ATOM 1312 N ILE C 39 9.105 -4.644 3.321 1.00 0.00 N ATOM 1313 CA ILE C 39 10.177 -5.474 3.851 1.00 0.00 C ATOM 1314 C ILE C 39 9.658 -6.882 4.148 1.00 0.00 C ATOM 1315 O ILE C 39 10.257 -7.874 3.728 1.00 0.00 O ATOM 1316 CB ILE C 39 10.733 -4.846 5.130 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.380 -3.498 4.789 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.785 -5.775 5.745 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.753 -2.748 6.075 1.00 0.00 C ATOM 0 H ILE C 39 8.907 -3.795 3.851 1.00 0.00 H new ATOM 0 HA ILE C 39 10.971 -5.541 3.108 1.00 0.00 H new ATOM 0 HB ILE C 39 9.923 -4.696 5.844 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.271 -3.657 4.181 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.692 -2.896 4.195 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.180 -5.325 6.656 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.328 -6.735 5.983 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.597 -5.926 5.034 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.211 -1.793 5.819 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.855 -2.572 6.667 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.458 -3.345 6.653 1.00 0.00 H new ATOM 1331 N LEU C 40 8.541 -6.965 4.865 1.00 0.00 N ATOM 1332 CA LEU C 40 7.958 -8.263 5.205 1.00 0.00 C ATOM 1333 C LEU C 40 7.386 -8.974 3.970 1.00 0.00 C ATOM 1334 O LEU C 40 7.585 -10.176 3.790 1.00 0.00 O ATOM 1335 CB LEU C 40 6.853 -8.067 6.242 1.00 0.00 C ATOM 1336 CG LEU C 40 7.391 -7.252 7.425 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.264 -7.021 8.436 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.550 -8.004 8.101 1.00 0.00 C ATOM 0 H LEU C 40 8.025 -6.160 5.219 1.00 0.00 H new ATOM 0 HA LEU C 40 8.750 -8.891 5.612 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.004 -7.553 5.790 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.492 -9.035 6.589 1.00 0.00 H new ATOM 0 HG LEU C 40 7.759 -6.292 7.062 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.643 -6.442 9.278 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.452 -6.475 7.957 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.894 -7.982 8.794 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.925 -7.417 8.939 1.00 0.00 H new ATOM 0 HD22 LEU C 40 8.195 -8.969 8.463 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.352 -8.160 7.380 1.00 0.00 H new ATOM 1350 N TRP C 41 6.669 -8.230 3.132 1.00 0.00 N ATOM 1351 CA TRP C 41 6.062 -8.807 1.931 1.00 0.00 C ATOM 1352 C TRP C 41 7.136 -9.267 0.944 1.00 0.00 C ATOM 1353 O TRP C 41 6.981 -10.291 0.279 1.00 0.00 O ATOM 1354 CB TRP C 41 5.114 -7.793 1.280 1.00 0.00 C ATOM 1355 CG TRP C 41 4.569 -8.339 -0.005 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.492 -9.155 -0.120 1.00 0.00 C ATOM 1357 CD2 TRP C 41 5.027 -8.080 -1.361 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.280 -9.428 -1.460 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.196 -8.784 -2.262 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.074 -7.311 -1.888 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.402 -8.723 -3.637 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.279 -7.245 -3.273 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.445 -7.950 -4.144 1.00 0.00 C ATOM 0 H TRP C 41 6.494 -7.233 3.259 1.00 0.00 H new ATOM 0 HA TRP C 41 5.483 -9.684 2.221 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.295 -7.562 1.961 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.644 -6.860 1.090 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.897 -9.530 0.700 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.537 -10.032 -1.811 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.727 -6.766 -1.222 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.757 -9.272 -4.307 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.086 -6.646 -3.669 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.608 -7.896 -5.210 1.00 0.00 H new ATOM 1374 N ILE C 42 8.227 -8.511 0.859 1.00 0.00 N ATOM 1375 CA ILE C 42 9.322 -8.858 -0.045 1.00 0.00 C ATOM 1376 C ILE C 42 9.908 -10.213 0.351 1.00 0.00 C ATOM 1377 O ILE C 42 10.201 -11.046 -0.504 1.00 0.00 O ATOM 1378 CB ILE C 42 10.412 -7.766 0.008 1.00 0.00 C ATOM 1379 CG1 ILE C 42 9.978 -6.561 -0.840 1.00 0.00 C ATOM 1380 CG2 ILE C 42 11.746 -8.306 -0.535 1.00 0.00 C ATOM 1381 CD1 ILE C 42 10.821 -5.340 -0.463 1.00 0.00 C ATOM 0 H ILE C 42 8.377 -7.660 1.400 1.00 0.00 H new ATOM 0 HA ILE C 42 8.942 -8.923 -1.064 1.00 0.00 H new ATOM 0 HB ILE C 42 10.546 -7.463 1.046 1.00 0.00 H new ATOM 0 HG12 ILE C 42 10.099 -6.786 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE C 42 8.921 -6.350 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE C 42 12.502 -7.522 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE C 42 12.067 -9.155 0.068 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.616 -8.625 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE C 42 10.513 -4.485 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.678 -5.111 0.593 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.874 -5.553 -0.648 1.00 0.00 H new ATOM 1393 N LEU C 43 10.082 -10.426 1.648 1.00 0.00 N ATOM 1394 CA LEU C 43 10.637 -11.685 2.131 1.00 0.00 C ATOM 1395 C LEU C 43 9.732 -12.851 1.732 1.00 0.00 C ATOM 1396 O LEU C 43 10.211 -13.918 1.347 1.00 0.00 O ATOM 1397 CB LEU C 43 10.785 -11.641 3.656 1.00 0.00 C ATOM 1398 CG LEU C 43 11.885 -10.643 4.051 1.00 0.00 C ATOM 1399 CD1 LEU C 43 11.819 -10.391 5.561 1.00 0.00 C ATOM 1400 CD2 LEU C 43 13.279 -11.195 3.681 1.00 0.00 C ATOM 0 H LEU C 43 9.850 -9.753 2.378 1.00 0.00 H new ATOM 0 HA LEU C 43 11.619 -11.830 1.680 1.00 0.00 H new ATOM 0 HB2 LEU C 43 9.839 -11.351 4.113 1.00 0.00 H new ATOM 0 HB3 LEU C 43 11.031 -12.633 4.034 1.00 0.00 H new ATOM 0 HG LEU C 43 11.726 -9.710 3.510 1.00 0.00 H new ATOM 0 HD11 LEU C 43 12.598 -9.683 5.846 1.00 0.00 H new ATOM 0 HD12 LEU C 43 10.843 -9.980 5.819 1.00 0.00 H new ATOM 0 HD13 LEU C 43 11.969 -11.330 6.094 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.044 -10.474 3.969 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.450 -12.134 4.207 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.329 -11.367 2.606 1.00 0.00 H new ATOM 1412 N ASP C 44 8.421 -12.640 1.825 1.00 0.00 N ATOM 1413 CA ASP C 44 7.456 -13.680 1.469 1.00 0.00 C ATOM 1414 C ASP C 44 7.547 -14.023 -0.019 1.00 0.00 C ATOM 1415 O ASP C 44 7.287 -15.158 -0.419 1.00 0.00 O ATOM 1416 CB ASP C 44 6.034 -13.215 1.796 1.00 0.00 C ATOM 1417 CG ASP C 44 5.818 -13.210 3.305 1.00 0.00 C ATOM 1418 OD1 ASP C 44 6.675 -13.718 4.009 1.00 0.00 O ATOM 1419 OD2 ASP C 44 4.797 -12.698 3.735 1.00 0.00 O ATOM 0 H ASP C 44 8.004 -11.765 2.142 1.00 0.00 H new ATOM 0 HA ASP C 44 7.692 -14.571 2.051 1.00 0.00 H new ATOM 0 HB2 ASP C 44 5.869 -12.215 1.394 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.309 -13.874 1.319 1.00 0.00 H new ATOM 1424 N ARG C 45 7.910 -13.037 -0.833 1.00 0.00 N ATOM 1425 CA ARG C 45 8.023 -13.246 -2.274 1.00 0.00 C ATOM 1426 C ARG C 45 9.022 -14.360 -2.572 1.00 0.00 C ATOM 1427 O ARG C 45 8.822 -15.158 -3.486 1.00 0.00 O ATOM 1428 CB ARG C 45 8.480 -11.951 -2.959 1.00 0.00 C ATOM 1429 CG ARG C 45 8.503 -12.142 -4.479 1.00 0.00 C ATOM 1430 CD ARG C 45 8.953 -10.842 -5.149 1.00 0.00 C ATOM 1431 NE ARG C 45 9.003 -11.014 -6.600 1.00 0.00 N ATOM 1432 CZ ARG C 45 7.929 -10.817 -7.359 1.00 0.00 C ATOM 1433 NH1 ARG C 45 6.799 -10.460 -6.810 1.00 0.00 N ATOM 1434 NH2 ARG C 45 8.003 -10.979 -8.652 1.00 0.00 N ATOM 0 H ARG C 45 8.130 -12.090 -0.523 1.00 0.00 H new ATOM 0 HA ARG C 45 7.045 -13.533 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG C 45 7.807 -11.134 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG C 45 9.472 -11.673 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG C 45 9.180 -12.954 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG C 45 7.512 -12.424 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG C 45 8.265 -10.036 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG C 45 9.935 -10.553 -4.776 1.00 0.00 H new ATOM 0 HE ARG C 45 9.881 -11.291 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG C 45 6.741 -10.332 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG C 45 5.975 -10.309 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG C 45 8.885 -11.257 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG C 45 7.178 -10.828 -9.233 1.00 0.00 H new ATOM 1448 N LEU C 46 10.098 -14.402 -1.797 1.00 0.00 N ATOM 1449 CA LEU C 46 11.127 -15.419 -1.988 1.00 0.00 C ATOM 1450 C LEU C 46 10.541 -16.815 -1.793 1.00 0.00 C ATOM 1451 O LEU C 46 10.847 -17.735 -2.551 1.00 0.00 O ATOM 1452 CB LEU C 46 12.260 -15.201 -0.982 1.00 0.00 C ATOM 1453 CG LEU C 46 13.031 -13.915 -1.319 1.00 0.00 C ATOM 1454 CD1 LEU C 46 13.943 -13.554 -0.141 1.00 0.00 C ATOM 1455 CD2 LEU C 46 13.882 -14.107 -2.589 1.00 0.00 C ATOM 0 H LEU C 46 10.282 -13.749 -1.035 1.00 0.00 H new ATOM 0 HA LEU C 46 11.514 -15.336 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU C 46 11.852 -15.135 0.027 1.00 0.00 H new ATOM 0 HB3 LEU C 46 12.938 -16.054 -0.997 1.00 0.00 H new ATOM 0 HG LEU C 46 12.317 -13.112 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU C 46 14.493 -12.642 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU C 46 13.338 -13.396 0.752 1.00 0.00 H new ATOM 0 HD13 LEU C 46 14.647 -14.367 0.037 1.00 0.00 H new ATOM 0 HD21 LEU C 46 14.420 -13.185 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU C 46 14.597 -14.914 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU C 46 13.233 -14.358 -3.428 1.00 0.00 H new ATOM 1467 N PHE C 47 9.697 -16.965 -0.775 1.00 0.00 N ATOM 1468 CA PHE C 47 9.073 -18.255 -0.490 1.00 0.00 C ATOM 1469 C PHE C 47 7.782 -18.411 -1.286 1.00 0.00 C ATOM 1470 O PHE C 47 7.119 -19.448 -1.218 1.00 0.00 O ATOM 1471 CB PHE C 47 8.773 -18.362 1.005 1.00 0.00 C ATOM 1472 CG PHE C 47 10.075 -18.395 1.770 1.00 0.00 C ATOM 1473 CD1 PHE C 47 10.821 -17.220 1.923 1.00 0.00 C ATOM 1474 CD2 PHE C 47 10.538 -19.596 2.321 1.00 0.00 C ATOM 1475 CE1 PHE C 47 12.030 -17.246 2.626 1.00 0.00 C ATOM 1476 CE2 PHE C 47 11.748 -19.621 3.027 1.00 0.00 C ATOM 1477 CZ PHE C 47 12.494 -18.447 3.179 1.00 0.00 C ATOM 0 H PHE C 47 9.431 -16.215 -0.137 1.00 0.00 H new ATOM 0 HA PHE C 47 9.761 -19.049 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE C 47 8.168 -17.515 1.329 1.00 0.00 H new ATOM 0 HB3 PHE C 47 8.194 -19.263 1.209 1.00 0.00 H new ATOM 0 HD1 PHE C 47 10.463 -16.294 1.498 1.00 0.00 H new ATOM 0 HD2 PHE C 47 9.963 -20.502 2.202 1.00 0.00 H new ATOM 0 HE1 PHE C 47 12.606 -16.340 2.743 1.00 0.00 H new ATOM 0 HE2 PHE C 47 12.105 -20.547 3.454 1.00 0.00 H new ATOM 0 HZ PHE C 47 13.427 -18.467 3.722 1.00 0.00 H new ATOM 1487 N PHE C 48 7.432 -17.374 -2.041 1.00 0.00 N ATOM 1488 CA PHE C 48 6.219 -17.400 -2.852 1.00 0.00 C ATOM 1489 C PHE C 48 6.328 -16.409 -4.004 1.00 0.00 C ATOM 1490 O PHE C 48 5.653 -15.379 -4.016 1.00 0.00 O ATOM 1491 CB PHE C 48 5.004 -17.053 -1.989 1.00 0.00 C ATOM 1492 CG PHE C 48 4.728 -18.184 -1.030 1.00 0.00 C ATOM 1493 CD1 PHE C 48 3.904 -19.245 -1.421 1.00 0.00 C ATOM 1494 CD2 PHE C 48 5.300 -18.175 0.248 1.00 0.00 C ATOM 1495 CE1 PHE C 48 3.646 -20.296 -0.533 1.00 0.00 C ATOM 1496 CE2 PHE C 48 5.043 -19.227 1.136 1.00 0.00 C ATOM 1497 CZ PHE C 48 4.217 -20.288 0.747 1.00 0.00 C ATOM 0 H PHE C 48 7.968 -16.509 -2.108 1.00 0.00 H new ATOM 0 HA PHE C 48 6.097 -18.404 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE C 48 5.188 -16.131 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE C 48 4.134 -16.878 -2.621 1.00 0.00 H new ATOM 0 HD1 PHE C 48 3.467 -19.253 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE C 48 5.939 -17.358 0.549 1.00 0.00 H new ATOM 0 HE1 PHE C 48 3.007 -21.113 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE C 48 5.483 -19.220 2.122 1.00 0.00 H new ATOM 0 HZ PHE C 48 4.020 -21.099 1.432 1.00 0.00 H new ATOM 1507 N LYS C 49 7.177 -16.729 -4.974 1.00 0.00 N ATOM 1508 CA LYS C 49 7.365 -15.859 -6.131 1.00 0.00 C ATOM 1509 C LYS C 49 6.254 -16.078 -7.153 1.00 0.00 C ATOM 1510 O LYS C 49 5.167 -16.453 -6.745 1.00 0.00 O ATOM 1511 CB LYS C 49 8.725 -16.135 -6.779 1.00 0.00 C ATOM 1512 CG LYS C 49 8.791 -17.592 -7.246 1.00 0.00 C ATOM 1513 CD LYS C 49 10.173 -17.877 -7.835 1.00 0.00 C ATOM 1514 CE LYS C 49 10.244 -19.337 -8.290 1.00 0.00 C ATOM 1515 NZ LYS C 49 11.588 -19.611 -8.871 1.00 0.00 N ATOM 1516 OXT LYS C 49 6.506 -15.867 -8.326 1.00 0.00 O ATOM 0 H LYS C 49 7.743 -17.578 -4.984 1.00 0.00 H new ATOM 0 HA LYS C 49 7.330 -14.823 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS C 49 8.878 -15.465 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS C 49 9.525 -15.935 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS C 49 8.595 -18.262 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS C 49 8.020 -17.781 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS C 49 10.365 -17.213 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS C 49 10.945 -17.679 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS C 49 10.058 -20.002 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS C 49 9.469 -19.537 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 11.637 -20.603 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 11.748 -18.986 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 12.319 -19.436 -8.152 1.00 0.00 H new TER 1530 LYS C 49 ATOM 1531 N SER D 19 -12.167 22.984 8.089 1.00 0.00 N ATOM 1532 CA SER D 19 -11.895 23.071 9.552 1.00 0.00 C ATOM 1533 C SER D 19 -10.415 22.807 9.809 1.00 0.00 C ATOM 1534 O SER D 19 -9.769 23.528 10.568 1.00 0.00 O ATOM 1535 CB SER D 19 -12.746 22.034 10.287 1.00 0.00 C ATOM 1536 OG SER D 19 -14.121 22.310 10.060 1.00 0.00 O ATOM 0 HA SER D 19 -12.149 24.067 9.916 1.00 0.00 H new ATOM 0 HB2 SER D 19 -12.502 21.031 9.936 1.00 0.00 H new ATOM 0 HB3 SER D 19 -12.529 22.060 11.355 1.00 0.00 H new ATOM 0 HG SER D 19 -14.226 22.762 9.197 1.00 0.00 H new ATOM 1544 N ASN D 20 -9.882 21.768 9.167 1.00 0.00 N ATOM 1545 CA ASN D 20 -8.471 21.407 9.324 1.00 0.00 C ATOM 1546 C ASN D 20 -7.849 21.080 7.971 1.00 0.00 C ATOM 1547 O ASN D 20 -8.119 20.028 7.391 1.00 0.00 O ATOM 1548 CB ASN D 20 -8.347 20.194 10.250 1.00 0.00 C ATOM 1549 CG ASN D 20 -6.878 19.875 10.498 1.00 0.00 C ATOM 1550 OD1 ASN D 20 -6.047 20.781 10.565 1.00 0.00 O ATOM 1551 ND2 ASN D 20 -6.504 18.633 10.638 1.00 0.00 N ATOM 0 H ASN D 20 -10.404 21.162 8.534 1.00 0.00 H new ATOM 0 HA ASN D 20 -7.942 22.255 9.759 1.00 0.00 H new ATOM 0 HB2 ASN D 20 -8.848 20.396 11.196 1.00 0.00 H new ATOM 0 HB3 ASN D 20 -8.844 19.333 9.803 1.00 0.00 H new ATOM 0 HD21 ASN D 20 -5.522 18.412 10.803 1.00 0.00 H new ATOM 0 HD22 ASN D 20 -7.193 17.883 10.582 1.00 0.00 H new ATOM 1558 N ASP D 21 -7.012 21.987 7.473 1.00 0.00 N ATOM 1559 CA ASP D 21 -6.351 21.788 6.186 1.00 0.00 C ATOM 1560 C ASP D 21 -5.031 21.046 6.375 1.00 0.00 C ATOM 1561 O ASP D 21 -4.316 20.775 5.410 1.00 0.00 O ATOM 1562 CB ASP D 21 -6.083 23.140 5.522 1.00 0.00 C ATOM 1563 CG ASP D 21 -5.298 24.040 6.470 1.00 0.00 C ATOM 1564 OD1 ASP D 21 -5.111 23.647 7.609 1.00 0.00 O ATOM 1565 OD2 ASP D 21 -4.896 25.109 6.043 1.00 0.00 O ATOM 0 H ASP D 21 -6.776 22.863 7.939 1.00 0.00 H new ATOM 0 HA ASP D 21 -7.006 21.193 5.549 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -5.524 22.996 4.598 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -7.026 23.616 5.253 1.00 0.00 H new ATOM 1570 N SER D 22 -4.714 20.726 7.625 1.00 0.00 N ATOM 1571 CA SER D 22 -3.477 20.018 7.935 1.00 0.00 C ATOM 1572 C SER D 22 -3.458 18.648 7.263 1.00 0.00 C ATOM 1573 O SER D 22 -2.448 18.238 6.691 1.00 0.00 O ATOM 1574 CB SER D 22 -3.342 19.851 9.449 1.00 0.00 C ATOM 1575 OG SER D 22 -2.116 19.197 9.746 1.00 0.00 O ATOM 0 H SER D 22 -5.293 20.944 8.436 1.00 0.00 H new ATOM 0 HA SER D 22 -2.639 20.603 7.557 1.00 0.00 H new ATOM 0 HB2 SER D 22 -3.375 20.825 9.937 1.00 0.00 H new ATOM 0 HB3 SER D 22 -4.179 19.271 9.838 1.00 0.00 H new ATOM 0 HG SER D 22 -2.028 19.091 10.716 1.00 0.00 H new ATOM 1581 N SER D 23 -4.591 17.943 7.332 1.00 0.00 N ATOM 1582 CA SER D 23 -4.712 16.615 6.727 1.00 0.00 C ATOM 1583 C SER D 23 -6.031 16.505 5.966 1.00 0.00 C ATOM 1584 O SER D 23 -7.108 16.535 6.560 1.00 0.00 O ATOM 1585 CB SER D 23 -4.654 15.541 7.813 1.00 0.00 C ATOM 1586 OG SER D 23 -4.678 14.255 7.205 1.00 0.00 O ATOM 0 H SER D 23 -5.436 18.270 7.800 1.00 0.00 H new ATOM 0 HA SER D 23 -3.885 16.468 6.032 1.00 0.00 H new ATOM 0 HB2 SER D 23 -3.748 15.658 8.408 1.00 0.00 H new ATOM 0 HB3 SER D 23 -5.498 15.650 8.494 1.00 0.00 H new ATOM 0 HG SER D 23 -4.639 13.564 7.899 1.00 0.00 H new ATOM 1592 N ASP D 24 -5.935 16.386 4.647 1.00 0.00 N ATOM 1593 CA ASP D 24 -7.123 16.281 3.804 1.00 0.00 C ATOM 1594 C ASP D 24 -7.802 14.918 4.001 1.00 0.00 C ATOM 1595 O ASP D 24 -7.140 13.947 4.371 1.00 0.00 O ATOM 1596 CB ASP D 24 -6.732 16.471 2.327 1.00 0.00 C ATOM 1597 CG ASP D 24 -5.523 17.397 2.223 1.00 0.00 C ATOM 1598 OD1 ASP D 24 -5.482 18.370 2.957 1.00 0.00 O ATOM 1599 OD2 ASP D 24 -4.656 17.118 1.411 1.00 0.00 O ATOM 0 H ASP D 24 -5.051 16.360 4.138 1.00 0.00 H new ATOM 0 HA ASP D 24 -7.828 17.062 4.090 1.00 0.00 H new ATOM 0 HB2 ASP D 24 -6.501 15.506 1.876 1.00 0.00 H new ATOM 0 HB3 ASP D 24 -7.571 16.890 1.771 1.00 0.00 H new ATOM 1604 N PRO D 25 -9.093 14.811 3.754 1.00 0.00 N ATOM 1605 CA PRO D 25 -9.821 13.514 3.909 1.00 0.00 C ATOM 1606 C PRO D 25 -9.082 12.362 3.225 1.00 0.00 C ATOM 1607 O PRO D 25 -9.060 11.238 3.727 1.00 0.00 O ATOM 1608 CB PRO D 25 -11.170 13.769 3.223 1.00 0.00 C ATOM 1609 CG PRO D 25 -11.391 15.243 3.323 1.00 0.00 C ATOM 1610 CD PRO D 25 -10.001 15.895 3.319 1.00 0.00 C ATOM 0 HA PRO D 25 -9.916 13.220 4.954 1.00 0.00 H new ATOM 0 HB2 PRO D 25 -11.150 13.444 2.183 1.00 0.00 H new ATOM 0 HB3 PRO D 25 -11.971 13.217 3.714 1.00 0.00 H new ATOM 0 HG2 PRO D 25 -11.990 15.603 2.487 1.00 0.00 H new ATOM 0 HG3 PRO D 25 -11.934 15.493 4.235 1.00 0.00 H new ATOM 0 HD2 PRO D 25 -9.736 16.263 2.328 1.00 0.00 H new ATOM 0 HD3 PRO D 25 -9.958 16.747 3.997 1.00 0.00 H new ATOM 1618 N LEU D 26 -8.493 12.645 2.076 1.00 0.00 N ATOM 1619 CA LEU D 26 -7.765 11.630 1.335 1.00 0.00 C ATOM 1620 C LEU D 26 -6.550 11.142 2.133 1.00 0.00 C ATOM 1621 O LEU D 26 -6.238 9.951 2.136 1.00 0.00 O ATOM 1622 CB LEU D 26 -7.303 12.201 -0.014 1.00 0.00 C ATOM 1623 CG LEU D 26 -8.465 12.186 -1.026 1.00 0.00 C ATOM 1624 CD1 LEU D 26 -8.843 10.740 -1.409 1.00 0.00 C ATOM 1625 CD2 LEU D 26 -9.674 12.901 -0.416 1.00 0.00 C ATOM 0 H LEU D 26 -8.504 13.566 1.637 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.431 10.784 1.164 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.941 13.220 0.119 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -6.469 11.614 -0.399 1.00 0.00 H new ATOM 0 HG LEU D 26 -8.150 12.703 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -9.665 10.756 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -7.982 10.245 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -9.150 10.195 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -10.499 12.893 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -9.978 12.388 0.497 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -9.407 13.931 -0.181 1.00 0.00 H new ATOM 1637 N VAL D 27 -5.855 12.073 2.782 1.00 0.00 N ATOM 1638 CA VAL D 27 -4.660 11.724 3.549 1.00 0.00 C ATOM 1639 C VAL D 27 -4.992 10.780 4.703 1.00 0.00 C ATOM 1640 O VAL D 27 -4.354 9.742 4.869 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.033 12.996 4.120 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -2.786 12.635 4.929 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -3.655 13.941 2.977 1.00 0.00 C ATOM 0 H VAL D 27 -6.094 13.064 2.793 1.00 0.00 H new ATOM 0 HA VAL D 27 -3.965 11.220 2.877 1.00 0.00 H new ATOM 0 HB VAL D 27 -4.752 13.493 4.772 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.340 13.543 5.335 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.063 11.969 5.747 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.065 12.135 4.282 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.208 14.847 3.387 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -2.939 13.448 2.319 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.549 14.202 2.410 1.00 0.00 H new ATOM 1653 N VAL D 28 -5.993 11.146 5.497 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.395 10.317 6.628 1.00 0.00 C ATOM 1655 C VAL D 28 -7.072 9.049 6.137 1.00 0.00 C ATOM 1656 O VAL D 28 -6.818 7.954 6.634 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.346 11.099 7.532 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.596 11.501 6.751 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.746 10.235 8.728 1.00 0.00 C ATOM 0 H VAL D 28 -6.536 12.002 5.381 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.506 10.042 7.196 1.00 0.00 H new ATOM 0 HB VAL D 28 -6.841 11.998 7.886 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -9.269 12.058 7.403 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.311 12.126 5.905 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -9.101 10.606 6.388 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -8.424 10.796 9.371 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -8.244 9.332 8.374 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.855 9.960 9.293 1.00 0.00 H new ATOM 1669 N ALA D 29 -7.940 9.221 5.152 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.672 8.094 4.579 1.00 0.00 C ATOM 1671 C ALA D 29 -7.707 7.056 4.022 1.00 0.00 C ATOM 1672 O ALA D 29 -7.863 5.860 4.261 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.592 8.582 3.457 1.00 0.00 C ATOM 0 H ALA D 29 -8.157 10.125 4.732 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.269 7.637 5.369 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.133 7.735 3.036 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.303 9.304 3.858 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -8.995 9.055 2.677 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.710 7.518 3.276 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.729 6.613 2.693 1.00 0.00 C ATOM 1681 C ALA D 30 -4.941 5.902 3.788 1.00 0.00 C ATOM 1682 O ALA D 30 -4.651 4.710 3.681 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.767 7.392 1.792 1.00 0.00 C ATOM 0 H ALA D 30 -6.561 8.504 3.063 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.258 5.868 2.099 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.037 6.707 1.361 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.328 7.875 0.992 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.250 8.149 2.381 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.594 6.640 4.838 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.835 6.063 5.942 1.00 0.00 C ATOM 1691 C ASN D 31 -4.647 4.985 6.654 1.00 0.00 C ATOM 1692 O ASN D 31 -4.126 3.921 6.981 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.456 7.153 6.944 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.700 6.534 8.115 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -3.183 6.642 9.323 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 -1.645 5.931 7.925 1.00 0.00 N flip ATOM 0 H ASN D 31 -4.823 7.628 4.948 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.932 5.611 5.532 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -2.838 7.908 6.458 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -4.353 7.658 7.304 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.268 5.847 6.981 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -1.147 5.515 8.712 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.922 5.267 6.896 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.786 4.310 7.575 1.00 0.00 C ATOM 1705 C ILE D 32 -6.955 3.050 6.730 1.00 0.00 C ATOM 1706 O ILE D 32 -6.887 1.934 7.241 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.153 4.943 7.849 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.994 6.065 8.878 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.114 3.885 8.399 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.280 6.892 8.938 1.00 0.00 C ATOM 0 H ILE D 32 -6.377 6.142 6.635 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.323 4.034 8.523 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.555 5.348 6.920 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.774 5.644 9.859 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.152 6.702 8.609 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.085 4.341 8.592 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.228 3.083 7.670 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.714 3.477 9.327 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.165 7.690 9.671 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.480 7.325 7.958 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.112 6.250 9.228 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.180 3.244 5.436 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.360 2.121 4.525 1.00 0.00 C ATOM 1724 C ILE D 33 -6.077 1.291 4.423 1.00 0.00 C ATOM 1725 O ILE D 33 -6.124 0.061 4.442 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.768 2.639 3.143 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.172 3.250 3.230 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.776 1.486 2.138 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.501 3.995 1.933 1.00 0.00 C ATOM 0 H ILE D 33 -7.242 4.162 4.996 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.149 1.478 4.915 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.055 3.395 2.814 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.908 2.466 3.405 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.228 3.935 4.076 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.067 1.861 1.157 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.779 1.048 2.078 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.487 0.726 2.462 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.500 4.425 2.004 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.773 4.791 1.776 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.464 3.299 1.095 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.937 1.969 4.309 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.656 1.275 4.199 1.00 0.00 C ATOM 1743 C GLY D 34 -3.344 0.490 5.470 1.00 0.00 C ATOM 1744 O GLY D 34 -2.931 -0.670 5.415 1.00 0.00 O ATOM 0 H GLY D 34 -4.873 2.987 4.290 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.679 0.597 3.346 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.862 1.998 4.011 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.552 1.130 6.615 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.296 0.488 7.898 1.00 0.00 C ATOM 1750 C ILE D 35 -4.233 -0.703 8.083 1.00 0.00 C ATOM 1751 O ILE D 35 -3.818 -1.775 8.532 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.486 1.505 9.028 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.373 2.557 8.946 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.414 0.795 10.382 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.737 3.764 9.812 1.00 0.00 C ATOM 0 H ILE D 35 -3.895 2.088 6.681 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.269 0.124 7.922 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.460 1.985 8.926 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.429 2.128 9.282 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.231 2.870 7.912 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.550 1.523 11.182 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.199 0.041 10.440 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.442 0.315 10.490 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.943 4.509 9.750 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.671 4.199 9.456 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.857 3.446 10.848 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.497 -0.511 7.721 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.484 -1.575 7.838 1.00 0.00 C ATOM 1769 C LEU D 36 -6.074 -2.763 6.975 1.00 0.00 C ATOM 1770 O LEU D 36 -6.251 -3.921 7.364 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.869 -1.060 7.415 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.929 -2.195 7.512 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -10.248 -1.642 8.069 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -9.193 -2.796 6.121 1.00 0.00 C ATOM 0 H LEU D 36 -5.859 0.366 7.347 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.536 -1.898 8.878 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.163 -0.226 8.052 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.826 -0.682 6.394 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.543 -2.966 8.178 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -10.982 -2.446 8.132 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -10.078 -1.227 9.062 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -10.622 -0.860 7.408 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -9.936 -3.589 6.202 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -9.564 -2.018 5.453 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -8.266 -3.207 5.720 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.514 -2.472 5.804 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.078 -3.529 4.906 1.00 0.00 C ATOM 1788 C HIS D 37 -4.056 -4.413 5.603 1.00 0.00 C ATOM 1789 O HIS D 37 -4.090 -5.637 5.479 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.447 -2.936 3.646 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.049 -4.058 2.727 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.611 -4.229 1.475 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.161 -5.095 2.880 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.064 -5.330 0.933 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.173 -5.893 1.747 1.00 0.00 N ATOM 0 H HIS D 37 -5.354 -1.525 5.461 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.949 -4.121 4.626 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.153 -2.272 3.147 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.576 -2.336 3.907 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.546 -5.263 3.752 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.316 -5.712 -0.045 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.619 -6.731 1.574 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.146 -3.788 6.342 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.115 -4.533 7.056 1.00 0.00 C ATOM 1805 C LEU D 38 -2.736 -5.483 8.072 1.00 0.00 C ATOM 1806 O LEU D 38 -2.262 -6.600 8.248 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.144 -3.559 7.759 1.00 0.00 C ATOM 1808 CG LEU D 38 0.025 -3.192 6.818 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.645 -1.862 7.246 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.105 -4.290 6.865 1.00 0.00 C ATOM 0 H LEU D 38 -3.101 -2.776 6.462 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.558 -5.126 6.331 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.677 -2.656 8.057 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.757 -4.016 8.670 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.361 -3.104 5.803 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.468 -1.612 6.577 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.110 -1.077 7.201 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.020 -1.947 8.266 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.925 -4.023 6.199 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.482 -4.386 7.883 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.673 -5.239 6.546 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.783 -5.048 8.751 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.405 -5.910 9.745 1.00 0.00 C ATOM 1824 C ILE D 39 -4.861 -7.221 9.101 1.00 0.00 C ATOM 1825 O ILE D 39 -4.557 -8.306 9.600 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.605 -5.195 10.373 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -5.111 -3.963 11.140 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.322 -6.142 11.338 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.305 -3.109 11.592 1.00 0.00 C ATOM 0 H ILE D 39 -4.212 -4.129 8.639 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.674 -6.136 10.521 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.298 -4.888 9.589 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.528 -4.274 12.007 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.450 -3.372 10.507 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.175 -5.630 11.783 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.669 -7.021 10.795 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.633 -6.450 12.124 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.943 -2.236 12.136 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.871 -2.784 10.719 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.950 -3.700 12.242 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.583 -7.116 7.989 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.069 -8.306 7.294 1.00 0.00 C ATOM 1843 C LEU D 40 -4.926 -9.097 6.644 1.00 0.00 C ATOM 1844 O LEU D 40 -4.884 -10.325 6.729 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.077 -7.892 6.220 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.159 -7.000 6.844 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.137 -6.553 5.754 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.917 -7.775 7.935 1.00 0.00 C ATOM 0 H LEU D 40 -5.843 -6.231 7.553 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.544 -8.952 8.032 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.569 -7.357 5.417 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.533 -8.776 5.775 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.689 -6.126 7.295 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.907 -5.919 6.194 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.599 -5.993 4.990 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.603 -7.429 5.302 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.683 -7.134 8.372 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.388 -8.655 7.496 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.219 -8.087 8.712 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.006 -8.389 5.989 1.00 0.00 N ATOM 1861 CA TRP D 41 -2.880 -9.040 5.320 1.00 0.00 C ATOM 1862 C TRP D 41 -1.952 -9.708 6.336 1.00 0.00 C ATOM 1863 O TRP D 41 -1.410 -10.782 6.079 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.119 -8.025 4.463 1.00 0.00 C ATOM 1865 CG TRP D 41 -0.905 -8.661 3.856 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -0.885 -9.383 2.707 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.472 -8.602 4.319 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.413 -9.787 2.456 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.285 -9.325 3.420 1.00 0.00 C ATOM 1870 CE3 TRP D 41 1.084 -7.998 5.426 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.658 -9.441 3.615 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.466 -8.109 5.621 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.250 -8.829 4.718 1.00 0.00 C ATOM 0 H TRP D 41 -4.017 -7.372 5.908 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.268 -9.821 4.666 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.770 -7.643 3.676 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.824 -7.172 5.074 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.743 -9.606 2.090 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.692 -10.356 1.657 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.485 -7.443 6.133 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.261 -10.002 2.916 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.928 -7.635 6.475 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.315 -8.912 4.874 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.780 -9.071 7.492 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.923 -9.619 8.539 1.00 0.00 C ATOM 1886 C ILE D 42 -1.472 -10.971 9.003 1.00 0.00 C ATOM 1887 O ILE D 42 -0.717 -11.919 9.207 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.850 -8.636 9.728 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.132 -7.501 9.399 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -0.373 -9.357 10.999 1.00 0.00 C ATOM 1891 CD1 ILE D 42 -0.105 -6.329 10.355 1.00 0.00 C ATOM 0 H ILE D 42 -2.220 -8.181 7.726 1.00 0.00 H new ATOM 0 HA ILE D 42 0.082 -9.763 8.141 1.00 0.00 H new ATOM 0 HB ILE D 42 -1.847 -8.231 9.902 1.00 0.00 H new ATOM 0 HG12 ILE D 42 1.159 -7.856 9.489 1.00 0.00 H new ATOM 0 HG13 ILE D 42 -0.003 -7.176 8.367 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -0.328 -8.647 11.825 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -1.070 -10.158 11.246 1.00 0.00 H new ATOM 0 HG23 ILE D 42 0.618 -9.778 10.828 1.00 0.00 H new ATOM 0 HD11 ILE D 42 0.591 -5.523 10.122 1.00 0.00 H new ATOM 0 HD12 ILE D 42 -1.128 -5.969 10.243 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.052 -6.659 11.382 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.785 -11.050 9.167 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.408 -12.294 9.608 1.00 0.00 C ATOM 1905 C LEU D 43 -3.144 -13.405 8.594 1.00 0.00 C ATOM 1906 O LEU D 43 -2.883 -14.550 8.968 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.917 -12.090 9.775 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.197 -11.161 10.970 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -6.668 -10.734 10.941 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -4.892 -11.878 12.301 1.00 0.00 C ATOM 0 H LEU D 43 -3.434 -10.280 9.004 1.00 0.00 H new ATOM 0 HA LEU D 43 -2.977 -12.583 10.567 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.337 -11.661 8.865 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.407 -13.051 9.929 1.00 0.00 H new ATOM 0 HG LEU D 43 -4.553 -10.285 10.895 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.872 -10.076 11.785 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.875 -10.206 10.010 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -7.304 -11.616 11.007 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -5.097 -11.204 13.133 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -5.520 -12.764 12.389 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -3.843 -12.173 12.323 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.212 -13.064 7.310 1.00 0.00 N ATOM 1923 CA ASP D 44 -2.977 -14.042 6.248 1.00 0.00 C ATOM 1924 C ASP D 44 -1.539 -14.559 6.293 1.00 0.00 C ATOM 1925 O ASP D 44 -1.272 -15.705 5.926 1.00 0.00 O ATOM 1926 CB ASP D 44 -3.248 -13.413 4.880 1.00 0.00 C ATOM 1927 CG ASP D 44 -4.746 -13.214 4.681 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -5.504 -13.706 5.501 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -5.114 -12.575 3.708 1.00 0.00 O ATOM 0 H ASP D 44 -3.427 -12.123 6.979 1.00 0.00 H new ATOM 0 HA ASP D 44 -3.657 -14.879 6.405 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -2.733 -12.455 4.803 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -2.851 -14.053 4.092 1.00 0.00 H new ATOM 1934 N ARG D 45 -0.617 -13.709 6.737 1.00 0.00 N ATOM 1935 CA ARG D 45 0.792 -14.092 6.814 1.00 0.00 C ATOM 1936 C ARG D 45 0.959 -15.321 7.703 1.00 0.00 C ATOM 1937 O ARG D 45 1.777 -16.197 7.419 1.00 0.00 O ATOM 1938 CB ARG D 45 1.619 -12.933 7.382 1.00 0.00 C ATOM 1939 CG ARG D 45 3.107 -13.296 7.372 1.00 0.00 C ATOM 1940 CD ARG D 45 3.922 -12.129 7.932 1.00 0.00 C ATOM 1941 NE ARG D 45 5.342 -12.469 7.951 1.00 0.00 N ATOM 1942 CZ ARG D 45 6.119 -12.259 6.892 1.00 0.00 C ATOM 1943 NH1 ARG D 45 5.615 -11.742 5.805 1.00 0.00 N ATOM 1944 NH2 ARG D 45 7.385 -12.574 6.939 1.00 0.00 N ATOM 0 H ARG D 45 -0.816 -12.758 7.047 1.00 0.00 H new ATOM 0 HA ARG D 45 1.143 -14.329 5.810 1.00 0.00 H new ATOM 0 HB2 ARG D 45 1.452 -12.033 6.791 1.00 0.00 H new ATOM 0 HB3 ARG D 45 1.297 -12.711 8.399 1.00 0.00 H new ATOM 0 HG2 ARG D 45 3.277 -14.192 7.969 1.00 0.00 H new ATOM 0 HG3 ARG D 45 3.430 -13.524 6.356 1.00 0.00 H new ATOM 0 HD2 ARG D 45 3.762 -11.239 7.324 1.00 0.00 H new ATOM 0 HD3 ARG D 45 3.584 -11.891 8.941 1.00 0.00 H new ATOM 0 HE ARG D 45 5.747 -12.876 8.794 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.625 -11.499 5.767 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.211 -11.581 4.993 1.00 0.00 H new ATOM 0 HH21 ARG D 45 7.778 -12.981 7.788 1.00 0.00 H new ATOM 0 HH22 ARG D 45 7.981 -12.413 6.127 1.00 0.00 H new ATOM 1958 N LEU D 46 0.183 -15.376 8.778 1.00 0.00 N ATOM 1959 CA LEU D 46 0.258 -16.499 9.707 1.00 0.00 C ATOM 1960 C LEU D 46 -0.096 -17.803 8.994 1.00 0.00 C ATOM 1961 O LEU D 46 0.550 -18.830 9.206 1.00 0.00 O ATOM 1962 CB LEU D 46 -0.716 -16.275 10.866 1.00 0.00 C ATOM 1963 CG LEU D 46 -0.236 -15.114 11.748 1.00 0.00 C ATOM 1964 CD1 LEU D 46 -1.366 -14.708 12.703 1.00 0.00 C ATOM 1965 CD2 LEU D 46 1.003 -15.529 12.565 1.00 0.00 C ATOM 0 H LEU D 46 -0.501 -14.662 9.028 1.00 0.00 H new ATOM 0 HA LEU D 46 1.276 -16.568 10.090 1.00 0.00 H new ATOM 0 HB2 LEU D 46 -1.711 -16.058 10.477 1.00 0.00 H new ATOM 0 HB3 LEU D 46 -0.798 -17.184 11.462 1.00 0.00 H new ATOM 0 HG LEU D 46 0.035 -14.273 11.109 1.00 0.00 H new ATOM 0 HD11 LEU D 46 -1.032 -13.883 13.333 1.00 0.00 H new ATOM 0 HD12 LEU D 46 -2.235 -14.394 12.125 1.00 0.00 H new ATOM 0 HD13 LEU D 46 -1.635 -15.558 13.330 1.00 0.00 H new ATOM 0 HD21 LEU D 46 1.328 -14.692 13.184 1.00 0.00 H new ATOM 0 HD22 LEU D 46 0.751 -16.376 13.203 1.00 0.00 H new ATOM 0 HD23 LEU D 46 1.808 -15.813 11.887 1.00 0.00 H new ATOM 1977 N PHE D 47 -1.123 -17.756 8.152 1.00 0.00 N ATOM 1978 CA PHE D 47 -1.556 -18.942 7.412 1.00 0.00 C ATOM 1979 C PHE D 47 -0.781 -19.067 6.105 1.00 0.00 C ATOM 1980 O PHE D 47 -0.965 -20.022 5.350 1.00 0.00 O ATOM 1981 CB PHE D 47 -3.053 -18.849 7.118 1.00 0.00 C ATOM 1982 CG PHE D 47 -3.816 -18.918 8.421 1.00 0.00 C ATOM 1983 CD1 PHE D 47 -3.834 -17.808 9.274 1.00 0.00 C ATOM 1984 CD2 PHE D 47 -4.502 -20.087 8.777 1.00 0.00 C ATOM 1985 CE1 PHE D 47 -4.537 -17.867 10.484 1.00 0.00 C ATOM 1986 CE2 PHE D 47 -5.205 -20.144 9.985 1.00 0.00 C ATOM 1987 CZ PHE D 47 -5.222 -19.034 10.840 1.00 0.00 C ATOM 0 H PHE D 47 -1.670 -16.916 7.964 1.00 0.00 H new ATOM 0 HA PHE D 47 -1.360 -19.825 8.020 1.00 0.00 H new ATOM 0 HB2 PHE D 47 -3.278 -17.917 6.599 1.00 0.00 H new ATOM 0 HB3 PHE D 47 -3.358 -19.662 6.459 1.00 0.00 H new ATOM 0 HD1 PHE D 47 -3.306 -16.907 8.999 1.00 0.00 H new ATOM 0 HD2 PHE D 47 -4.488 -20.943 8.119 1.00 0.00 H new ATOM 0 HE1 PHE D 47 -4.550 -17.011 11.143 1.00 0.00 H new ATOM 0 HE2 PHE D 47 -5.735 -21.044 10.259 1.00 0.00 H new ATOM 0 HZ PHE D 47 -5.764 -19.079 11.773 1.00 0.00 H new ATOM 1997 N PHE D 48 0.086 -18.094 5.846 1.00 0.00 N ATOM 1998 CA PHE D 48 0.891 -18.097 4.627 1.00 0.00 C ATOM 1999 C PHE D 48 2.149 -17.259 4.814 1.00 0.00 C ATOM 2000 O PHE D 48 2.277 -16.180 4.239 1.00 0.00 O ATOM 2001 CB PHE D 48 0.074 -17.543 3.459 1.00 0.00 C ATOM 2002 CG PHE D 48 -1.009 -18.528 3.089 1.00 0.00 C ATOM 2003 CD1 PHE D 48 -0.743 -19.544 2.164 1.00 0.00 C ATOM 2004 CD2 PHE D 48 -2.278 -18.426 3.671 1.00 0.00 C ATOM 2005 CE1 PHE D 48 -1.745 -20.459 1.820 1.00 0.00 C ATOM 2006 CE2 PHE D 48 -3.280 -19.341 3.327 1.00 0.00 C ATOM 2007 CZ PHE D 48 -3.014 -20.358 2.402 1.00 0.00 C ATOM 0 H PHE D 48 0.250 -17.296 6.460 1.00 0.00 H new ATOM 0 HA PHE D 48 1.182 -19.125 4.410 1.00 0.00 H new ATOM 0 HB2 PHE D 48 -0.369 -16.586 3.733 1.00 0.00 H new ATOM 0 HB3 PHE D 48 0.722 -17.361 2.602 1.00 0.00 H new ATOM 0 HD1 PHE D 48 0.236 -19.622 1.715 1.00 0.00 H new ATOM 0 HD2 PHE D 48 -2.484 -17.642 4.385 1.00 0.00 H new ATOM 0 HE1 PHE D 48 -1.539 -21.243 1.106 1.00 0.00 H new ATOM 0 HE2 PHE D 48 -4.259 -19.262 3.776 1.00 0.00 H new ATOM 0 HZ PHE D 48 -3.787 -21.064 2.138 1.00 0.00 H new ATOM 2017 N LYS D 49 3.076 -17.766 5.622 1.00 0.00 N ATOM 2018 CA LYS D 49 4.324 -17.056 5.876 1.00 0.00 C ATOM 2019 C LYS D 49 5.314 -17.283 4.738 1.00 0.00 C ATOM 2020 O LYS D 49 4.865 -17.506 3.626 1.00 0.00 O ATOM 2021 CB LYS D 49 4.935 -17.529 7.198 1.00 0.00 C ATOM 2022 CG LYS D 49 5.233 -19.028 7.123 1.00 0.00 C ATOM 2023 CD LYS D 49 5.785 -19.508 8.468 1.00 0.00 C ATOM 2024 CE LYS D 49 6.071 -21.009 8.397 1.00 0.00 C ATOM 2025 NZ LYS D 49 6.616 -21.473 9.704 1.00 0.00 N ATOM 2026 OXT LYS D 49 6.505 -17.232 4.997 1.00 0.00 O ATOM 0 H LYS D 49 2.987 -18.658 6.108 1.00 0.00 H new ATOM 0 HA LYS D 49 4.107 -15.990 5.940 1.00 0.00 H new ATOM 0 HB2 LYS D 49 5.852 -16.976 7.404 1.00 0.00 H new ATOM 0 HB3 LYS D 49 4.249 -17.326 8.020 1.00 0.00 H new ATOM 0 HG2 LYS D 49 4.325 -19.578 6.873 1.00 0.00 H new ATOM 0 HG3 LYS D 49 5.954 -19.227 6.330 1.00 0.00 H new ATOM 0 HD2 LYS D 49 6.697 -18.965 8.713 1.00 0.00 H new ATOM 0 HD3 LYS D 49 5.068 -19.301 9.262 1.00 0.00 H new ATOM 0 HE2 LYS D 49 5.157 -21.553 8.158 1.00 0.00 H new ATOM 0 HE3 LYS D 49 6.784 -21.217 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS D 49 6.811 -22.494 9.656 1.00 0.00 H new ATOM 0 HZ2 LYS D 49 7.497 -20.962 9.914 1.00 0.00 H new ATOM 0 HZ3 LYS D 49 5.921 -21.288 10.455 1.00 0.00 H new TER 2040 LYS D 49 HETATM 2041 O A2Y A 100 1.964 11.153 0.460 1.00 0.00 O HETATM 2042 S A2Y A 100 1.068 13.862 0.426 1.00 0.00 S HETATM 2043 C1 A2Y A 100 0.304 14.983 0.982 1.00 0.00 C HETATM 2044 N1 A2Y A 100 2.135 9.845 0.539 1.00 0.00 N HETATM 2045 C2 A2Y A 100 -0.493 14.612 1.982 1.00 0.00 C HETATM 2046 N2 A2Y A 100 0.158 7.260 0.745 1.00 0.00 N HETATM 2047 C3 A2Y A 100 -0.347 13.298 2.177 1.00 0.00 C HETATM 2048 C4 A2Y A 100 0.494 10.331 1.737 1.00 0.00 C HETATM 2049 C5 A2Y A 100 1.188 7.863 1.599 1.00 0.00 C HETATM 2050 C9 A2Y A 100 1.268 9.333 1.296 1.00 0.00 C HETATM 2051 C10 A2Y A 100 0.108 5.779 0.616 1.00 0.00 C HETATM 2052 C11 A2Y A 100 0.995 11.470 1.164 1.00 0.00 C HETATM 2053 C12 A2Y A 100 0.560 12.784 1.294 1.00 0.00 C HETATM 2054 C61 A2Y A 100 -0.144 5.073 1.982 1.00 0.00 C HETATM 2055 C62 A2Y A 100 1.428 5.191 0.028 1.00 0.00 C HETATM 2056 C63 A2Y A 100 -1.044 5.350 -0.338 1.00 0.00 C HETATM 2057 C71 A2Y A 100 -0.216 3.539 1.819 1.00 0.00 C HETATM 2058 C72 A2Y A 100 1.344 3.656 -0.122 1.00 0.00 C HETATM 2059 C73 A2Y A 100 -1.115 3.815 -0.490 1.00 0.00 C HETATM 2060 C81 A2Y A 100 1.103 3.010 1.248 1.00 0.00 C HETATM 2061 C82 A2Y A 100 0.200 3.283 -1.069 1.00 0.00 C HETATM 2062 C83 A2Y A 100 -1.364 3.162 0.873 1.00 0.00 C HETATM 0 H683 A2Y A 100 -1.425 2.079 0.767 1.00 0.00 H new HETATM 0 H663 A2Y A 100 -1.993 5.722 0.047 1.00 0.00 H new HETATM 0 H583 A2Y A 100 -2.317 3.497 1.283 1.00 0.00 H new HETATM 0 H563 A2Y A 100 -0.896 5.807 -1.317 1.00 0.00 H new HETATM 0 H482 A2Y A 100 0.376 3.707 -2.058 1.00 0.00 H new HETATM 0 H462 A2Y A 100 1.628 5.643 -0.944 1.00 0.00 H new HETATM 0 H382 A2Y A 100 0.148 2.201 -1.190 1.00 0.00 H new HETATM 0 H373 A2Y A 100 -1.935 3.571 -1.165 1.00 0.00 H new HETATM 0 H362 A2Y A 100 2.264 5.449 0.678 1.00 0.00 H new HETATM 0 H2N2 A2Y A 100 -0.750 7.570 1.091 1.00 0.00 H new HETATM 0 H281 A2Y A 100 1.926 3.241 1.924 1.00 0.00 H new HETATM 0 H272 A2Y A 100 2.285 3.292 -0.534 1.00 0.00 H new HETATM 0 H261 A2Y A 100 0.654 5.329 2.678 1.00 0.00 H new HETATM 0 H1N2 A2Y A 100 0.268 7.648 -0.192 1.00 0.00 H new HETATM 0 H181 A2Y A 100 1.064 1.925 1.152 1.00 0.00 H new HETATM 0 H171 A2Y A 100 -0.393 3.093 2.798 1.00 0.00 H new HETATM 0 H161 A2Y A 100 -1.075 5.438 2.416 1.00 0.00 H new HETATM 0 H44 A2Y A 100 -0.358 10.254 2.412 1.00 0.00 H new HETATM 0 H3 A2Y A 100 -0.876 12.719 2.933 1.00 0.00 H new HETATM 0 H25 A2Y A 100 0.946 7.707 2.650 1.00 0.00 H new HETATM 0 H2 A2Y A 100 -1.154 15.270 2.547 1.00 0.00 H new HETATM 0 H15 A2Y A 100 2.152 7.388 1.420 1.00 0.00 H new HETATM 0 H1 A2Y A 100 0.380 16.007 0.617 1.00 0.00 H new