USER MOD reduce.3.24.130724 H: found=0, std=0, add=1594, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 31 SER OG : rot 170:sc= -2.44! USER MOD Set 1.2: B 70 GLN :FLIP amide:sc= -2.99! C(o=-8.9!,f=-5.4!) USER MOD Set 2.1: B 39 MET CE :methyl 137:sc= -9.62! (180deg=-16.4!) USER MOD Set 2.2: B 59 MET CE :methyl -135:sc= -17.7! (180deg=-19.5!) USER MOD Set 3.1: B 50 GLN :FLIP amide:sc= -1.06 F(o=-5.5,f=-2.3) USER MOD Set 3.2: B 87 CYS SG : rot 160:sc= -1.22! USER MOD Set 4.1: A 50 GLN :FLIP amide:sc= -1.02 F(o=-5.5,f=-2.3) USER MOD Set 4.2: A 87 CYS SG : rot 160:sc= -1.3! USER MOD Set 5.1: A 74 GLN :FLIP amide:sc= -0.982 F(o=-5.5!,f=-2) USER MOD Set 5.2: B 74 GLN :FLIP amide:sc= -0.998 F(o=-5.5!,f=-2) USER MOD Set 6.1: A 31 SER OG : rot 170:sc= -2.44! USER MOD Set 6.2: A 70 GLN :FLIP amide:sc= -2.84! C(o=-8.9!,f=-5.3!) USER MOD Set 7.1: A 39 MET CE :methyl 138:sc= -9.59! (180deg=-16.4!) USER MOD Set 7.2: A 59 MET CE :methyl -134:sc= -17.9! (180deg=-19.5!) USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.0617 (180deg=-0.23) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -161:sc= 0.0204 USER MOD Single : A 6 THR OG1 : rot -100:sc= -0.938 USER MOD Single : A 9 CYS SG : rot -50:sc= -3.04 USER MOD Single : A 12 SER OG : rot 75:sc= 1.14 USER MOD Single : A 18 GLN :FLIP amide:sc= -5.61! C(o=-6.9!,f=-5.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 27 SER OG : rot -119:sc= 0.0178 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 36:sc= 0.128 USER MOD Single : A 40 ASN : amide:sc= 0.0507 X(o=0.051,f=-0.035) USER MOD Single : A 41 THR OG1 : rot -67:sc= 0.744 USER MOD Single : A 47 THR OG1 : rot -30:sc= -0.0652 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0513) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -168:sc= -6.35! (180deg=-6.49!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.0913 (180deg=-0.582) USER MOD Single : A 66 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.42) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 88 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-6.8!) USER MOD Single : A 90 SER OG : rot 63:sc= 0.907 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER N :NH3+ 168:sc= -0.0453 (180deg=-0.21) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot -164:sc= 0.024 USER MOD Single : B 6 THR OG1 : rot 100:sc= -0.927 USER MOD Single : B 9 CYS SG : rot -52:sc= -3.16 USER MOD Single : B 12 SER OG : rot 96:sc= 1.18 USER MOD Single : B 18 GLN :FLIP amide:sc= -5.53! C(o=-6.9!,f=-5.5!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : B 27 SER OG : rot -120:sc= 0.0189 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 35:sc= 0.157 USER MOD Single : B 40 ASN : amide:sc= 0.0531 X(o=0.053,f=-0.015) USER MOD Single : B 41 THR OG1 : rot -67:sc= 0.79 USER MOD Single : B 47 THR OG1 : rot -28:sc=-0.00292 USER MOD Single : B 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0425) USER MOD Single : B 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl -177:sc= -6.23! (180deg=-6.42!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 LYS NZ :NH3+ 151:sc= -0.076 (180deg=-0.577) USER MOD Single : B 66 ASN : amide:sc= -0.0684 X(o=-0.068,f=-0.42) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 78 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.25) USER MOD Single : B 88 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-6.9!) USER MOD Single : B 90 SER OG : rot 69:sc= 1.09 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.5) USER MOD Single : B 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.211 -2.995 21.074 1.00 0.00 N ATOM 2 CA SER A 1 4.404 -2.158 20.777 1.00 0.00 C ATOM 3 C SER A 1 5.694 -2.954 20.947 1.00 0.00 C ATOM 4 O SER A 1 6.745 -2.390 21.251 1.00 0.00 O ATOM 5 CB SER A 1 4.398 -0.952 21.720 1.00 0.00 C ATOM 6 OG SER A 1 3.844 0.187 21.087 1.00 0.00 O ATOM 0 H1 SER A 1 2.371 -2.387 21.150 1.00 0.00 H new ATOM 0 H2 SER A 1 3.071 -3.685 20.308 1.00 0.00 H new ATOM 0 H3 SER A 1 3.356 -3.499 21.972 1.00 0.00 H new ATOM 0 HA SER A 1 4.360 -1.826 19.740 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.824 -1.190 22.616 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.416 -0.734 22.043 1.00 0.00 H new ATOM 0 HG SER A 1 3.850 0.943 21.710 1.00 0.00 H new ATOM 14 N ARG A 2 5.608 -4.266 20.750 1.00 0.00 N ATOM 15 CA ARG A 2 6.771 -5.135 20.883 1.00 0.00 C ATOM 16 C ARG A 2 7.532 -5.237 19.561 1.00 0.00 C ATOM 17 O ARG A 2 8.746 -5.034 19.520 1.00 0.00 O ATOM 18 CB ARG A 2 6.345 -6.528 21.355 1.00 0.00 C ATOM 19 CG ARG A 2 6.653 -6.795 22.820 1.00 0.00 C ATOM 20 CD ARG A 2 6.376 -8.242 23.197 1.00 0.00 C ATOM 21 NE ARG A 2 5.131 -8.737 22.610 1.00 0.00 N ATOM 22 CZ ARG A 2 5.052 -9.335 21.422 1.00 0.00 C ATOM 23 NH1 ARG A 2 6.142 -9.519 20.686 1.00 0.00 N ATOM 24 NH2 ARG A 2 3.879 -9.751 20.967 1.00 0.00 N ATOM 0 H ARG A 2 4.746 -4.750 20.498 1.00 0.00 H new ATOM 0 HA ARG A 2 7.436 -4.698 21.628 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.274 -6.647 21.190 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.847 -7.279 20.744 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.698 -6.560 23.021 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.052 -6.134 23.445 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.205 -8.867 22.866 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.324 -8.329 24.282 1.00 0.00 H new ATOM 0 HE ARG A 2 4.270 -8.617 23.143 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.049 -9.202 21.029 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.073 -9.978 19.778 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.037 -9.613 21.526 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.818 -10.209 20.058 1.00 0.00 H new ATOM 37 N PRO A 3 6.830 -5.553 18.458 1.00 0.00 N ATOM 38 CA PRO A 3 7.440 -5.682 17.130 1.00 0.00 C ATOM 39 C PRO A 3 7.970 -4.339 16.614 1.00 0.00 C ATOM 40 O PRO A 3 8.697 -3.644 17.324 1.00 0.00 O ATOM 41 CB PRO A 3 6.277 -6.211 16.265 1.00 0.00 C ATOM 42 CG PRO A 3 5.302 -6.755 17.243 1.00 0.00 C ATOM 43 CD PRO A 3 5.386 -5.813 18.396 1.00 0.00 C ATOM 0 HA PRO A 3 8.310 -6.338 17.122 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.835 -5.415 15.665 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.616 -6.981 15.573 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.295 -6.788 16.827 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.558 -7.772 17.539 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.812 -4.902 18.224 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.009 -6.258 19.317 1.00 0.00 H new ATOM 51 N THR A 4 7.612 -3.973 15.385 1.00 0.00 N ATOM 52 CA THR A 4 8.063 -2.714 14.801 1.00 0.00 C ATOM 53 C THR A 4 6.906 -1.953 14.174 1.00 0.00 C ATOM 54 O THR A 4 5.976 -2.542 13.623 1.00 0.00 O ATOM 55 CB THR A 4 9.169 -2.957 13.765 1.00 0.00 C ATOM 56 OG1 THR A 4 9.232 -1.888 12.837 1.00 0.00 O ATOM 57 CG2 THR A 4 9.000 -4.238 12.973 1.00 0.00 C ATOM 0 H THR A 4 7.012 -4.530 14.776 1.00 0.00 H new ATOM 0 HA THR A 4 8.473 -2.104 15.606 1.00 0.00 H new ATOM 0 HB THR A 4 10.086 -3.036 14.350 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.710 -2.181 12.033 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.821 -4.337 12.263 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.004 -5.090 13.653 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.054 -4.210 12.433 1.00 0.00 H new ATOM 65 N GLU A 5 6.979 -0.633 14.272 1.00 0.00 N ATOM 66 CA GLU A 5 5.957 0.248 13.728 1.00 0.00 C ATOM 67 C GLU A 5 5.551 -0.184 12.322 1.00 0.00 C ATOM 68 O GLU A 5 4.364 -0.269 12.004 1.00 0.00 O ATOM 69 CB GLU A 5 6.488 1.677 13.713 1.00 0.00 C ATOM 70 CG GLU A 5 5.471 2.712 14.166 1.00 0.00 C ATOM 71 CD GLU A 5 5.587 4.016 13.401 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.970 4.127 12.320 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.294 4.926 13.883 1.00 0.00 O ATOM 0 H GLU A 5 7.748 -0.144 14.730 1.00 0.00 H new ATOM 0 HA GLU A 5 5.069 0.193 14.358 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.365 1.736 14.358 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.818 1.922 12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.466 2.309 14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.605 2.906 15.230 1.00 0.00 H new ATOM 80 N THR A 6 6.546 -0.473 11.491 1.00 0.00 N ATOM 81 CA THR A 6 6.295 -0.917 10.127 1.00 0.00 C ATOM 82 C THR A 6 5.601 -2.273 10.138 1.00 0.00 C ATOM 83 O THR A 6 4.670 -2.515 9.378 1.00 0.00 O ATOM 84 CB THR A 6 7.610 -1.010 9.352 1.00 0.00 C ATOM 85 OG1 THR A 6 8.568 -0.110 9.878 1.00 0.00 O ATOM 86 CG2 THR A 6 7.458 -0.709 7.878 1.00 0.00 C ATOM 0 H THR A 6 7.533 -0.408 11.739 1.00 0.00 H new ATOM 0 HA THR A 6 5.647 -0.191 9.636 1.00 0.00 H new ATOM 0 HB THR A 6 7.938 -2.044 9.463 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.605 0.693 9.317 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.428 -0.793 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.763 -1.420 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.073 0.303 7.751 1.00 0.00 H new ATOM 94 N GLU A 7 6.053 -3.154 11.020 1.00 0.00 N ATOM 95 CA GLU A 7 5.471 -4.488 11.126 1.00 0.00 C ATOM 96 C GLU A 7 3.954 -4.400 11.257 1.00 0.00 C ATOM 97 O GLU A 7 3.225 -5.234 10.721 1.00 0.00 O ATOM 98 CB GLU A 7 6.058 -5.227 12.332 1.00 0.00 C ATOM 99 CG GLU A 7 7.015 -6.346 11.953 1.00 0.00 C ATOM 100 CD GLU A 7 6.294 -7.611 11.534 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.539 -7.563 10.541 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.487 -8.652 12.197 1.00 0.00 O ATOM 0 H GLU A 7 6.817 -2.972 11.670 1.00 0.00 H new ATOM 0 HA GLU A 7 5.712 -5.042 10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.582 -4.512 12.966 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.243 -5.642 12.925 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.656 -6.010 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.665 -6.566 12.800 1.00 0.00 H new ATOM 109 N ARG A 8 3.486 -3.374 11.955 1.00 0.00 N ATOM 110 CA ARG A 8 2.057 -3.165 12.135 1.00 0.00 C ATOM 111 C ARG A 8 1.444 -2.517 10.894 1.00 0.00 C ATOM 112 O ARG A 8 0.257 -2.689 10.619 1.00 0.00 O ATOM 113 CB ARG A 8 1.797 -2.294 13.366 1.00 0.00 C ATOM 114 CG ARG A 8 0.718 -2.845 14.285 1.00 0.00 C ATOM 115 CD ARG A 8 -0.674 -2.464 13.804 1.00 0.00 C ATOM 116 NE ARG A 8 -1.380 -3.601 13.219 1.00 0.00 N ATOM 117 CZ ARG A 8 -2.701 -3.648 13.051 1.00 0.00 C ATOM 118 NH1 ARG A 8 -3.460 -2.623 13.420 1.00 0.00 N ATOM 119 NH2 ARG A 8 -3.262 -4.721 12.511 1.00 0.00 N ATOM 0 H ARG A 8 4.075 -2.674 12.405 1.00 0.00 H new ATOM 0 HA ARG A 8 1.587 -4.137 12.285 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.724 -2.190 13.930 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.509 -1.295 13.039 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.802 -3.931 14.336 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.871 -2.466 15.295 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.251 -2.070 14.640 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.597 -1.666 13.066 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.829 -4.406 12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.032 -1.795 13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.471 -2.664 13.289 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.682 -5.510 12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.273 -4.758 12.382 1.00 0.00 H new ATOM 132 N CYS A 9 2.257 -1.765 10.153 1.00 0.00 N ATOM 133 CA CYS A 9 1.782 -1.087 8.949 1.00 0.00 C ATOM 134 C CYS A 9 1.492 -2.083 7.830 1.00 0.00 C ATOM 135 O CYS A 9 0.498 -1.955 7.116 1.00 0.00 O ATOM 136 CB CYS A 9 2.802 -0.032 8.482 1.00 0.00 C ATOM 137 SG CYS A 9 4.160 -0.660 7.459 1.00 0.00 S ATOM 0 H CYS A 9 3.243 -1.611 10.364 1.00 0.00 H new ATOM 0 HA CYS A 9 0.849 -0.582 9.198 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.272 0.737 7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.226 0.452 9.362 1.00 0.00 H new ATOM 0 HG CYS A 9 4.695 -1.695 8.036 1.00 0.00 H new ATOM 143 N ILE A 10 2.366 -3.071 7.678 1.00 0.00 N ATOM 144 CA ILE A 10 2.203 -4.077 6.644 1.00 0.00 C ATOM 145 C ILE A 10 1.019 -4.992 6.929 1.00 0.00 C ATOM 146 O ILE A 10 0.138 -5.157 6.091 1.00 0.00 O ATOM 147 CB ILE A 10 3.471 -4.942 6.502 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.701 -4.061 6.301 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.324 -5.911 5.341 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.625 -4.018 7.492 1.00 0.00 C ATOM 0 H ILE A 10 3.195 -3.194 8.260 1.00 0.00 H new ATOM 0 HA ILE A 10 2.022 -3.537 5.715 1.00 0.00 H new ATOM 0 HB ILE A 10 3.601 -5.514 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.257 -4.422 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.375 -3.047 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.228 -6.514 5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.468 -6.563 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.171 -5.352 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.474 -3.372 7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.087 -3.627 8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.982 -5.024 7.712 1.00 0.00 H new ATOM 162 N GLU A 11 1.016 -5.602 8.107 1.00 0.00 N ATOM 163 CA GLU A 11 -0.045 -6.531 8.485 1.00 0.00 C ATOM 164 C GLU A 11 -1.433 -5.930 8.298 1.00 0.00 C ATOM 165 O GLU A 11 -2.403 -6.658 8.088 1.00 0.00 O ATOM 166 CB GLU A 11 0.139 -6.987 9.929 1.00 0.00 C ATOM 167 CG GLU A 11 0.175 -8.499 10.072 1.00 0.00 C ATOM 168 CD GLU A 11 -0.770 -9.010 11.143 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.995 -8.819 10.993 1.00 0.00 O ATOM 170 OE2 GLU A 11 -0.284 -9.601 12.130 1.00 0.00 O ATOM 0 H GLU A 11 1.735 -5.471 8.818 1.00 0.00 H new ATOM 0 HA GLU A 11 0.030 -7.392 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.065 -6.568 10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.674 -6.589 10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.084 -8.956 9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.191 -8.813 10.310 1.00 0.00 H new ATOM 177 N SER A 12 -1.534 -4.613 8.383 1.00 0.00 N ATOM 178 CA SER A 12 -2.822 -3.950 8.230 1.00 0.00 C ATOM 179 C SER A 12 -3.271 -3.908 6.766 1.00 0.00 C ATOM 180 O SER A 12 -4.363 -4.369 6.439 1.00 0.00 O ATOM 181 CB SER A 12 -2.755 -2.536 8.803 1.00 0.00 C ATOM 182 OG SER A 12 -2.135 -2.530 10.077 1.00 0.00 O ATOM 0 H SER A 12 -0.748 -3.986 8.555 1.00 0.00 H new ATOM 0 HA SER A 12 -3.561 -4.530 8.783 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.200 -1.890 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.761 -2.125 8.883 1.00 0.00 H new ATOM 0 HG SER A 12 -1.167 -2.642 9.970 1.00 0.00 H new ATOM 188 N LEU A 13 -2.436 -3.350 5.891 1.00 0.00 N ATOM 189 CA LEU A 13 -2.768 -3.241 4.473 1.00 0.00 C ATOM 190 C LEU A 13 -2.979 -4.609 3.818 1.00 0.00 C ATOM 191 O LEU A 13 -3.723 -4.735 2.847 1.00 0.00 O ATOM 192 CB LEU A 13 -1.685 -2.455 3.749 1.00 0.00 C ATOM 193 CG LEU A 13 -1.947 -0.951 3.668 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.268 -0.673 2.967 1.00 0.00 C ATOM 195 CD2 LEU A 13 -1.952 -0.318 5.049 1.00 0.00 C ATOM 0 H LEU A 13 -1.524 -2.966 6.140 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.715 -2.707 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.734 -2.619 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.581 -2.849 2.738 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.138 -0.507 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.435 0.403 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.236 -1.080 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.080 -1.143 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.141 0.752 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.734 -0.774 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.985 -0.477 5.525 1.00 0.00 H new ATOM 207 N ILE A 14 -2.340 -5.635 4.348 1.00 0.00 N ATOM 208 CA ILE A 14 -2.494 -6.974 3.819 1.00 0.00 C ATOM 209 C ILE A 14 -3.856 -7.515 4.155 1.00 0.00 C ATOM 210 O ILE A 14 -4.464 -8.243 3.381 1.00 0.00 O ATOM 211 CB ILE A 14 -1.496 -7.930 4.459 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.097 -7.361 4.447 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.536 -9.269 3.776 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.719 -7.898 5.585 1.00 0.00 C ATOM 0 H ILE A 14 -1.709 -5.565 5.146 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.340 -6.907 2.742 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.785 -8.065 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.389 -7.604 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.144 -6.274 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.816 -9.939 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.537 -9.692 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.284 -9.148 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.721 -7.470 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.245 -7.632 6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.785 -8.983 5.505 1.00 0.00 H new ATOM 226 N ALA A 15 -4.291 -7.170 5.348 1.00 0.00 N ATOM 227 CA ALA A 15 -5.546 -7.629 5.886 1.00 0.00 C ATOM 228 C ALA A 15 -6.729 -6.939 5.230 1.00 0.00 C ATOM 229 O ALA A 15 -7.736 -7.576 4.930 1.00 0.00 O ATOM 230 CB ALA A 15 -5.503 -7.417 7.383 1.00 0.00 C ATOM 0 H ALA A 15 -3.774 -6.555 5.976 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.686 -8.689 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.440 -7.755 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.676 -7.986 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.362 -6.357 7.597 1.00 0.00 H new ATOM 236 N VAL A 16 -6.595 -5.646 4.970 1.00 0.00 N ATOM 237 CA VAL A 16 -7.648 -4.902 4.309 1.00 0.00 C ATOM 238 C VAL A 16 -8.023 -5.599 3.010 1.00 0.00 C ATOM 239 O VAL A 16 -9.182 -5.605 2.595 1.00 0.00 O ATOM 240 CB VAL A 16 -7.185 -3.471 3.984 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.717 -2.762 5.232 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.061 -3.493 2.973 1.00 0.00 C ATOM 0 H VAL A 16 -5.770 -5.096 5.207 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.507 -4.856 4.979 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.036 -2.934 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.395 -1.752 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.535 -2.711 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.883 -3.310 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.747 -2.472 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.218 -4.053 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.406 -3.969 2.055 1.00 0.00 H new ATOM 252 N PHE A 17 -7.007 -6.168 2.368 1.00 0.00 N ATOM 253 CA PHE A 17 -7.192 -6.857 1.095 1.00 0.00 C ATOM 254 C PHE A 17 -7.737 -8.278 1.269 1.00 0.00 C ATOM 255 O PHE A 17 -8.795 -8.605 0.735 1.00 0.00 O ATOM 256 CB PHE A 17 -5.855 -6.897 0.337 1.00 0.00 C ATOM 257 CG PHE A 17 -5.674 -8.102 -0.549 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.649 -8.461 -1.466 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.527 -8.876 -0.457 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.484 -9.570 -2.274 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.357 -9.984 -1.264 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.335 -10.333 -2.173 1.00 0.00 C ATOM 0 H PHE A 17 -6.046 -6.165 2.709 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.934 -6.299 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.771 -5.998 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.041 -6.869 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.548 -7.868 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.758 -8.610 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.252 -9.841 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.458 -10.578 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.203 -11.200 -2.804 1.00 0.00 H new ATOM 272 N GLN A 18 -6.999 -9.122 1.987 1.00 0.00 N ATOM 273 CA GLN A 18 -7.405 -10.517 2.184 1.00 0.00 C ATOM 274 C GLN A 18 -8.625 -10.662 3.084 1.00 0.00 C ATOM 275 O GLN A 18 -9.341 -11.659 2.993 1.00 0.00 O ATOM 276 CB GLN A 18 -6.255 -11.348 2.749 1.00 0.00 C ATOM 277 CG GLN A 18 -5.486 -10.655 3.850 1.00 0.00 C ATOM 278 CD GLN A 18 -4.059 -11.146 3.953 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.365 -11.171 2.823 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -3.586 -11.497 5.034 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.121 -8.869 2.441 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.678 -10.890 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.652 -12.288 3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.568 -11.598 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.485 -9.580 3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.993 -10.817 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.159 -11.460 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.621 -11.825 5.086 1.00 0.00 H new ATOM 289 N LYS A 19 -8.870 -9.693 3.961 1.00 0.00 N ATOM 290 CA LYS A 19 -10.021 -9.785 4.857 1.00 0.00 C ATOM 291 C LYS A 19 -11.293 -10.052 4.057 1.00 0.00 C ATOM 292 O LYS A 19 -12.022 -11.005 4.332 1.00 0.00 O ATOM 293 CB LYS A 19 -10.172 -8.498 5.673 1.00 0.00 C ATOM 294 CG LYS A 19 -11.379 -8.499 6.598 1.00 0.00 C ATOM 295 CD LYS A 19 -11.081 -9.221 7.902 1.00 0.00 C ATOM 296 CE LYS A 19 -11.632 -10.637 7.893 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.931 -11.512 8.874 1.00 0.00 N ATOM 0 H LYS A 19 -8.302 -8.853 4.071 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.856 -10.614 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.270 -8.347 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.249 -7.652 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.678 -7.472 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.221 -8.979 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.004 -9.250 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.515 -8.666 8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.697 -10.614 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.532 -11.059 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.336 -12.469 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.919 -11.555 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.048 -11.123 9.832 1.00 0.00 H new ATOM 311 N TYR A 20 -11.527 -9.231 3.040 1.00 0.00 N ATOM 312 CA TYR A 20 -12.681 -9.405 2.170 1.00 0.00 C ATOM 313 C TYR A 20 -12.385 -10.494 1.149 1.00 0.00 C ATOM 314 O TYR A 20 -13.237 -11.319 0.817 1.00 0.00 O ATOM 315 CB TYR A 20 -13.042 -8.090 1.477 1.00 0.00 C ATOM 316 CG TYR A 20 -14.231 -7.390 2.098 1.00 0.00 C ATOM 317 CD1 TYR A 20 -14.085 -6.610 3.238 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.500 -7.512 1.544 1.00 0.00 C ATOM 319 CE1 TYR A 20 -15.169 -5.971 3.808 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.589 -6.876 2.109 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.419 -6.107 3.241 1.00 0.00 C ATOM 322 OH TYR A 20 -17.500 -5.472 3.808 1.00 0.00 O ATOM 0 H TYR A 20 -10.932 -8.438 2.799 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.539 -9.706 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.180 -7.423 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.254 -8.288 0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.108 -6.501 3.686 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.637 -8.114 0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.038 -5.367 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.568 -6.981 1.666 1.00 0.00 H new ATOM 0 HH TYR A 20 -18.306 -5.669 3.286 1.00 0.00 H new ATOM 332 N ALA A 21 -11.151 -10.468 0.657 1.00 0.00 N ATOM 333 CA ALA A 21 -10.672 -11.421 -0.333 1.00 0.00 C ATOM 334 C ALA A 21 -10.817 -12.861 0.153 1.00 0.00 C ATOM 335 O ALA A 21 -10.925 -13.788 -0.651 1.00 0.00 O ATOM 336 CB ALA A 21 -9.220 -11.108 -0.659 1.00 0.00 C ATOM 0 H ALA A 21 -10.452 -9.780 0.937 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.281 -11.326 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.852 -11.817 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.147 -10.096 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.619 -11.186 0.247 1.00 0.00 H new ATOM 342 N GLY A 22 -10.812 -13.045 1.468 1.00 0.00 N ATOM 343 CA GLY A 22 -10.938 -14.377 2.031 1.00 0.00 C ATOM 344 C GLY A 22 -12.284 -14.610 2.687 1.00 0.00 C ATOM 345 O GLY A 22 -13.100 -13.693 2.789 1.00 0.00 O ATOM 0 H GLY A 22 -10.723 -12.296 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.790 -15.115 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.148 -14.532 2.766 1.00 0.00 H new ATOM 349 N LYS A 23 -12.517 -15.841 3.131 1.00 0.00 N ATOM 350 CA LYS A 23 -13.773 -16.196 3.780 1.00 0.00 C ATOM 351 C LYS A 23 -13.754 -17.652 4.235 1.00 0.00 C ATOM 352 O LYS A 23 -14.239 -17.982 5.319 1.00 0.00 O ATOM 353 CB LYS A 23 -14.948 -15.963 2.830 1.00 0.00 C ATOM 354 CG LYS A 23 -16.251 -15.638 3.542 1.00 0.00 C ATOM 355 CD LYS A 23 -16.742 -16.814 4.371 1.00 0.00 C ATOM 356 CE LYS A 23 -18.245 -17.000 4.240 1.00 0.00 C ATOM 357 NZ LYS A 23 -18.613 -17.673 2.963 1.00 0.00 N ATOM 0 H LYS A 23 -11.851 -16.610 3.053 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.893 -15.559 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.700 -15.146 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.091 -16.853 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.108 -14.771 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.010 -15.367 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.233 -17.723 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.484 -16.655 5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.612 -17.590 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.737 -16.029 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.646 -17.781 2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.285 -17.098 2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.165 -18.611 2.923 1.00 0.00 H new ATOM 371 N ASP A 24 -13.191 -18.521 3.400 1.00 0.00 N ATOM 372 CA ASP A 24 -13.109 -19.942 3.716 1.00 0.00 C ATOM 373 C ASP A 24 -11.683 -20.336 4.090 1.00 0.00 C ATOM 374 O ASP A 24 -11.470 -21.231 4.908 1.00 0.00 O ATOM 375 CB ASP A 24 -13.586 -20.779 2.528 1.00 0.00 C ATOM 376 CG ASP A 24 -12.750 -20.546 1.284 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.664 -21.152 1.177 1.00 0.00 O ATOM 378 OD2 ASP A 24 -13.183 -19.757 0.417 1.00 0.00 O ATOM 0 H ASP A 24 -12.785 -18.265 2.500 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.756 -20.135 4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.550 -21.836 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.627 -20.539 2.313 1.00 0.00 H new ATOM 383 N GLY A 25 -10.710 -19.662 3.485 1.00 0.00 N ATOM 384 CA GLY A 25 -9.318 -19.956 3.769 1.00 0.00 C ATOM 385 C GLY A 25 -8.381 -18.883 3.250 1.00 0.00 C ATOM 386 O GLY A 25 -8.559 -17.701 3.542 1.00 0.00 O ATOM 0 H GLY A 25 -10.861 -18.918 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.184 -20.061 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.053 -20.913 3.320 1.00 0.00 H new ATOM 390 N HIS A 26 -7.380 -19.296 2.479 1.00 0.00 N ATOM 391 CA HIS A 26 -6.411 -18.362 1.920 1.00 0.00 C ATOM 392 C HIS A 26 -6.722 -18.067 0.455 1.00 0.00 C ATOM 393 O HIS A 26 -6.816 -18.979 -0.365 1.00 0.00 O ATOM 394 CB HIS A 26 -4.995 -18.925 2.049 1.00 0.00 C ATOM 395 CG HIS A 26 -4.430 -18.810 3.430 1.00 0.00 C ATOM 396 ND1 HIS A 26 -4.247 -17.603 4.071 1.00 0.00 N ATOM 397 CD2 HIS A 26 -4.004 -19.760 4.296 1.00 0.00 C ATOM 398 CE1 HIS A 26 -3.734 -17.815 5.270 1.00 0.00 C ATOM 399 NE2 HIS A 26 -3.578 -19.116 5.431 1.00 0.00 N ATOM 0 H HIS A 26 -7.219 -20.271 2.228 1.00 0.00 H new ATOM 0 HA HIS A 26 -6.476 -17.430 2.482 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.002 -19.974 1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.340 -18.402 1.352 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.000 -20.826 4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.485 -17.054 5.995 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.202 -19.569 6.264 1.00 0.00 H new ATOM 408 N SER A 27 -6.881 -16.786 0.136 1.00 0.00 N ATOM 409 CA SER A 27 -7.181 -16.370 -1.229 1.00 0.00 C ATOM 410 C SER A 27 -6.035 -15.549 -1.812 1.00 0.00 C ATOM 411 O SER A 27 -5.201 -15.021 -1.078 1.00 0.00 O ATOM 412 CB SER A 27 -8.476 -15.557 -1.262 1.00 0.00 C ATOM 413 OG SER A 27 -9.031 -15.535 -2.566 1.00 0.00 O ATOM 0 H SER A 27 -6.807 -16.019 0.804 1.00 0.00 H new ATOM 0 HA SER A 27 -7.307 -17.266 -1.837 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.196 -15.985 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.278 -14.538 -0.930 1.00 0.00 H new ATOM 0 HG SER A 27 -9.070 -14.611 -2.889 1.00 0.00 H new ATOM 419 N VAL A 28 -6.003 -15.449 -3.137 1.00 0.00 N ATOM 420 CA VAL A 28 -4.960 -14.693 -3.820 1.00 0.00 C ATOM 421 C VAL A 28 -5.513 -13.402 -4.424 1.00 0.00 C ATOM 422 O VAL A 28 -4.762 -12.474 -4.724 1.00 0.00 O ATOM 423 CB VAL A 28 -4.297 -15.531 -4.932 1.00 0.00 C ATOM 424 CG1 VAL A 28 -5.308 -15.897 -6.010 1.00 0.00 C ATOM 425 CG2 VAL A 28 -3.108 -14.789 -5.528 1.00 0.00 C ATOM 0 H VAL A 28 -6.687 -15.882 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.210 -14.441 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.930 -16.457 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.817 -16.488 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.117 -16.478 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.714 -14.987 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.655 -15.397 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.445 -13.844 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.372 -14.594 -4.748 1.00 0.00 H new ATOM 435 N THR A 29 -6.831 -13.349 -4.600 1.00 0.00 N ATOM 436 CA THR A 29 -7.482 -12.175 -5.164 1.00 0.00 C ATOM 437 C THR A 29 -8.653 -11.737 -4.294 1.00 0.00 C ATOM 438 O THR A 29 -8.904 -12.315 -3.236 1.00 0.00 O ATOM 439 CB THR A 29 -7.963 -12.467 -6.585 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.388 -13.813 -6.704 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.903 -12.223 -7.636 1.00 0.00 C ATOM 0 H THR A 29 -7.468 -14.108 -4.359 1.00 0.00 H new ATOM 0 HA THR A 29 -6.755 -11.364 -5.197 1.00 0.00 H new ATOM 0 HB THR A 29 -8.789 -11.777 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.694 -13.980 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.309 -12.449 -8.622 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.591 -11.179 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.044 -12.865 -7.442 1.00 0.00 H new ATOM 449 N LEU A 30 -9.365 -10.712 -4.743 1.00 0.00 N ATOM 450 CA LEU A 30 -10.510 -10.193 -4.004 1.00 0.00 C ATOM 451 C LEU A 30 -11.670 -9.878 -4.960 1.00 0.00 C ATOM 452 O LEU A 30 -12.119 -10.755 -5.693 1.00 0.00 O ATOM 453 CB LEU A 30 -10.088 -8.949 -3.203 1.00 0.00 C ATOM 454 CG LEU A 30 -10.948 -8.615 -1.975 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.994 -7.113 -1.755 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.360 -9.172 -2.112 1.00 0.00 C ATOM 0 H LEU A 30 -9.170 -10.222 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.860 -10.951 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.058 -9.085 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.097 -8.089 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.486 -9.088 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.607 -6.892 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.983 -6.738 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.425 -6.630 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.940 -8.916 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.837 -8.742 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.315 -10.256 -2.216 1.00 0.00 H new ATOM 468 N SER A 31 -12.147 -8.631 -4.958 1.00 0.00 N ATOM 469 CA SER A 31 -13.236 -8.216 -5.829 1.00 0.00 C ATOM 470 C SER A 31 -13.549 -6.742 -5.598 1.00 0.00 C ATOM 471 O SER A 31 -13.747 -6.312 -4.461 1.00 0.00 O ATOM 472 CB SER A 31 -14.483 -9.069 -5.585 1.00 0.00 C ATOM 473 OG SER A 31 -15.479 -8.815 -6.564 1.00 0.00 O ATOM 0 H SER A 31 -11.789 -7.890 -4.356 1.00 0.00 H new ATOM 0 HA SER A 31 -12.927 -8.357 -6.865 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.213 -10.125 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.882 -8.858 -4.593 1.00 0.00 H new ATOM 0 HG SER A 31 -16.194 -9.481 -6.484 1.00 0.00 H new ATOM 479 N LYS A 32 -13.577 -5.968 -6.676 1.00 0.00 N ATOM 480 CA LYS A 32 -13.846 -4.536 -6.583 1.00 0.00 C ATOM 481 C LYS A 32 -15.094 -4.262 -5.745 1.00 0.00 C ATOM 482 O LYS A 32 -15.121 -3.330 -4.943 1.00 0.00 O ATOM 483 CB LYS A 32 -14.013 -3.937 -7.981 1.00 0.00 C ATOM 484 CG LYS A 32 -14.931 -4.748 -8.884 1.00 0.00 C ATOM 485 CD LYS A 32 -14.215 -5.209 -10.144 1.00 0.00 C ATOM 486 CE LYS A 32 -14.795 -6.516 -10.663 1.00 0.00 C ATOM 487 NZ LYS A 32 -16.023 -6.295 -11.475 1.00 0.00 N ATOM 0 H LYS A 32 -13.417 -6.306 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.995 -4.065 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.408 -2.925 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.033 -3.855 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.304 -5.615 -8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.798 -4.146 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.298 -4.441 -10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.153 -5.338 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.048 -7.030 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.029 -7.169 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.387 -7.210 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.746 -5.827 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.795 -5.693 -12.292 1.00 0.00 H new ATOM 501 N THR A 33 -16.120 -5.086 -5.933 1.00 0.00 N ATOM 502 CA THR A 33 -17.374 -4.947 -5.195 1.00 0.00 C ATOM 503 C THR A 33 -17.141 -5.122 -3.701 1.00 0.00 C ATOM 504 O THR A 33 -17.659 -4.360 -2.885 1.00 0.00 O ATOM 505 CB THR A 33 -18.373 -5.979 -5.673 1.00 0.00 C ATOM 506 OG1 THR A 33 -19.565 -5.929 -4.908 1.00 0.00 O ATOM 507 CG2 THR A 33 -17.817 -7.365 -5.579 1.00 0.00 C ATOM 0 H THR A 33 -16.108 -5.862 -6.594 1.00 0.00 H new ATOM 0 HA THR A 33 -17.768 -3.947 -5.375 1.00 0.00 H new ATOM 0 HB THR A 33 -18.589 -5.742 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 33 -20.194 -6.604 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.561 -8.080 -5.930 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.922 -7.440 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.563 -7.586 -4.542 1.00 0.00 H new ATOM 515 N GLU A 34 -16.342 -6.120 -3.341 1.00 0.00 N ATOM 516 CA GLU A 34 -16.035 -6.360 -1.941 1.00 0.00 C ATOM 517 C GLU A 34 -15.327 -5.140 -1.382 1.00 0.00 C ATOM 518 O GLU A 34 -15.555 -4.735 -0.241 1.00 0.00 O ATOM 519 CB GLU A 34 -15.182 -7.613 -1.788 1.00 0.00 C ATOM 520 CG GLU A 34 -16.016 -8.878 -1.710 1.00 0.00 C ATOM 521 CD GLU A 34 -15.259 -10.047 -1.112 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.567 -10.759 -1.871 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.361 -10.254 0.116 1.00 0.00 O ATOM 0 H GLU A 34 -15.901 -6.768 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.956 -6.526 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.495 -7.686 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.574 -7.527 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.906 -8.684 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.356 -9.145 -2.710 1.00 0.00 H new ATOM 530 N PHE A 35 -14.507 -4.525 -2.227 1.00 0.00 N ATOM 531 CA PHE A 35 -13.809 -3.310 -1.863 1.00 0.00 C ATOM 532 C PHE A 35 -14.813 -2.163 -1.870 1.00 0.00 C ATOM 533 O PHE A 35 -14.695 -1.203 -1.110 1.00 0.00 O ATOM 534 CB PHE A 35 -12.673 -3.026 -2.850 1.00 0.00 C ATOM 535 CG PHE A 35 -11.507 -2.288 -2.250 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.703 -1.308 -1.288 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.214 -2.573 -2.655 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.632 -0.629 -0.743 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.139 -1.895 -2.112 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.349 -0.922 -1.156 1.00 0.00 C ATOM 0 H PHE A 35 -14.313 -4.855 -3.172 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.370 -3.419 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.318 -3.971 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.067 -2.444 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.705 -1.074 -0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.044 -3.333 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.798 0.131 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.135 -2.127 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.510 -0.391 -0.732 1.00 0.00 H new ATOM 550 N LEU A 36 -15.826 -2.292 -2.730 1.00 0.00 N ATOM 551 CA LEU A 36 -16.874 -1.285 -2.830 1.00 0.00 C ATOM 552 C LEU A 36 -17.545 -1.103 -1.481 1.00 0.00 C ATOM 553 O LEU A 36 -17.544 -0.015 -0.904 1.00 0.00 O ATOM 554 CB LEU A 36 -17.917 -1.743 -3.843 1.00 0.00 C ATOM 555 CG LEU A 36 -17.968 -0.958 -5.145 1.00 0.00 C ATOM 556 CD1 LEU A 36 -17.639 -1.872 -6.317 1.00 0.00 C ATOM 557 CD2 LEU A 36 -19.339 -0.329 -5.315 1.00 0.00 C ATOM 0 H LEU A 36 -15.939 -3.083 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.433 -0.340 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.730 -2.790 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.899 -1.693 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.226 -0.160 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.678 -1.302 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.639 -2.285 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.364 -2.684 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.369 0.232 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.098 -1.111 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.536 0.345 -4.481 1.00 0.00 H new ATOM 569 N SER A 37 -18.106 -2.196 -0.984 1.00 0.00 N ATOM 570 CA SER A 37 -18.779 -2.193 0.308 1.00 0.00 C ATOM 571 C SER A 37 -17.789 -1.878 1.425 1.00 0.00 C ATOM 572 O SER A 37 -18.096 -1.125 2.349 1.00 0.00 O ATOM 573 CB SER A 37 -19.446 -3.546 0.565 1.00 0.00 C ATOM 574 OG SER A 37 -18.668 -4.606 0.035 1.00 0.00 O ATOM 0 H SER A 37 -18.109 -3.099 -1.457 1.00 0.00 H new ATOM 0 HA SER A 37 -19.547 -1.420 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.582 -3.691 1.637 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.438 -3.558 0.114 1.00 0.00 H new ATOM 0 HG SER A 37 -17.716 -4.401 0.147 1.00 0.00 H new ATOM 580 N PHE A 38 -16.595 -2.459 1.327 1.00 0.00 N ATOM 581 CA PHE A 38 -15.550 -2.239 2.322 1.00 0.00 C ATOM 582 C PHE A 38 -15.189 -0.758 2.396 1.00 0.00 C ATOM 583 O PHE A 38 -15.060 -0.192 3.482 1.00 0.00 O ATOM 584 CB PHE A 38 -14.309 -3.073 1.974 1.00 0.00 C ATOM 585 CG PHE A 38 -13.090 -2.730 2.787 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.335 -1.606 2.488 1.00 0.00 C ATOM 587 CD2 PHE A 38 -12.697 -3.532 3.847 1.00 0.00 C ATOM 588 CE1 PHE A 38 -11.214 -1.290 3.232 1.00 0.00 C ATOM 589 CE2 PHE A 38 -11.577 -3.222 4.593 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.834 -2.098 4.285 1.00 0.00 C ATOM 0 H PHE A 38 -16.328 -3.086 0.568 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.923 -2.552 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.542 -4.128 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.078 -2.937 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -12.626 -0.971 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.274 -4.411 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.635 -0.411 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.282 -3.857 5.416 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.958 -1.852 4.867 1.00 0.00 H new ATOM 600 N MET A 39 -15.028 -0.138 1.233 1.00 0.00 N ATOM 601 CA MET A 39 -14.683 1.276 1.160 1.00 0.00 C ATOM 602 C MET A 39 -15.781 2.134 1.781 1.00 0.00 C ATOM 603 O MET A 39 -15.512 3.197 2.338 1.00 0.00 O ATOM 604 CB MET A 39 -14.456 1.691 -0.296 1.00 0.00 C ATOM 605 CG MET A 39 -14.222 3.183 -0.479 1.00 0.00 C ATOM 606 SD MET A 39 -12.575 3.561 -1.108 1.00 0.00 S ATOM 607 CE MET A 39 -11.553 2.685 0.073 1.00 0.00 C ATOM 0 H MET A 39 -15.131 -0.594 0.326 1.00 0.00 H new ATOM 0 HA MET A 39 -13.762 1.432 1.723 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.597 1.147 -0.690 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.321 1.393 -0.888 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.968 3.581 -1.166 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.366 3.688 0.476 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.742 2.181 -0.452 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.137 3.393 0.790 1.00 0.00 H new ATOM 0 HE3 MET A 39 -12.158 1.947 0.601 1.00 0.00 H new ATOM 617 N ASN A 40 -17.018 1.664 1.681 1.00 0.00 N ATOM 618 CA ASN A 40 -18.157 2.387 2.231 1.00 0.00 C ATOM 619 C ASN A 40 -18.184 2.292 3.755 1.00 0.00 C ATOM 620 O ASN A 40 -18.837 3.093 4.424 1.00 0.00 O ATOM 621 CB ASN A 40 -19.462 1.839 1.650 1.00 0.00 C ATOM 622 CG ASN A 40 -19.854 2.532 0.360 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.123 3.733 0.345 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.890 1.777 -0.732 1.00 0.00 N ATOM 0 H ASN A 40 -17.258 0.784 1.224 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.055 3.437 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.355 0.770 1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.261 1.959 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -20.148 2.189 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.659 0.785 -0.674 1.00 0.00 H new ATOM 631 N THR A 41 -17.486 1.298 4.297 1.00 0.00 N ATOM 632 CA THR A 41 -17.447 1.091 5.740 1.00 0.00 C ATOM 633 C THR A 41 -16.054 1.342 6.313 1.00 0.00 C ATOM 634 O THR A 41 -15.787 2.391 6.897 1.00 0.00 O ATOM 635 CB THR A 41 -17.884 -0.337 6.068 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.468 -1.232 5.051 1.00 0.00 O ATOM 637 CG2 THR A 41 -19.377 -0.486 6.226 1.00 0.00 C ATOM 0 H THR A 41 -16.941 0.625 3.759 1.00 0.00 H new ATOM 0 HA THR A 41 -18.131 1.807 6.196 1.00 0.00 H new ATOM 0 HB THR A 41 -17.411 -0.572 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.955 -1.036 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.617 -1.524 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 41 -19.723 0.156 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.872 -0.198 5.298 1.00 0.00 H new ATOM 645 N GLU A 42 -15.181 0.353 6.156 1.00 0.00 N ATOM 646 CA GLU A 42 -13.815 0.432 6.671 1.00 0.00 C ATOM 647 C GLU A 42 -13.102 1.708 6.225 1.00 0.00 C ATOM 648 O GLU A 42 -12.223 2.210 6.926 1.00 0.00 O ATOM 649 CB GLU A 42 -13.019 -0.795 6.227 1.00 0.00 C ATOM 650 CG GLU A 42 -13.668 -2.112 6.626 1.00 0.00 C ATOM 651 CD GLU A 42 -12.715 -3.036 7.359 1.00 0.00 C ATOM 652 OE1 GLU A 42 -11.943 -2.541 8.208 1.00 0.00 O ATOM 653 OE2 GLU A 42 -12.740 -4.254 7.085 1.00 0.00 O ATOM 0 H GLU A 42 -15.395 -0.519 5.673 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.877 0.457 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.901 -0.770 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.019 -0.746 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.531 -1.909 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.040 -2.614 5.733 1.00 0.00 H new ATOM 660 N LEU A 43 -13.478 2.229 5.064 1.00 0.00 N ATOM 661 CA LEU A 43 -12.863 3.444 4.544 1.00 0.00 C ATOM 662 C LEU A 43 -13.925 4.448 4.116 1.00 0.00 C ATOM 663 O LEU A 43 -13.883 4.985 3.009 1.00 0.00 O ATOM 664 CB LEU A 43 -11.943 3.113 3.367 1.00 0.00 C ATOM 665 CG LEU A 43 -10.603 2.488 3.755 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.839 2.048 2.516 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.777 3.466 4.578 1.00 0.00 C ATOM 0 H LEU A 43 -14.203 1.831 4.466 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.268 3.892 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.465 2.430 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.752 4.027 2.805 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.798 1.606 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.888 1.606 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.427 1.311 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.654 2.911 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.826 3.004 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.591 4.367 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.321 3.728 5.485 1.00 0.00 H new ATOM 679 N ALA A 44 -14.875 4.698 5.007 1.00 0.00 N ATOM 680 CA ALA A 44 -15.954 5.637 4.734 1.00 0.00 C ATOM 681 C ALA A 44 -15.481 7.073 4.921 1.00 0.00 C ATOM 682 O ALA A 44 -15.991 7.994 4.283 1.00 0.00 O ATOM 683 CB ALA A 44 -17.142 5.344 5.636 1.00 0.00 C ATOM 0 H ALA A 44 -14.920 4.262 5.928 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.264 5.516 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.943 6.052 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.496 4.329 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.840 5.440 6.679 1.00 0.00 H new ATOM 689 N ALA A 45 -14.499 7.257 5.799 1.00 0.00 N ATOM 690 CA ALA A 45 -13.952 8.579 6.068 1.00 0.00 C ATOM 691 C ALA A 45 -13.322 9.179 4.815 1.00 0.00 C ATOM 692 O ALA A 45 -13.214 10.398 4.686 1.00 0.00 O ATOM 693 CB ALA A 45 -12.931 8.503 7.195 1.00 0.00 C ATOM 0 H ALA A 45 -14.067 6.505 6.336 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.770 9.231 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.528 9.497 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.412 8.125 8.097 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.121 7.833 6.908 1.00 0.00 H new ATOM 699 N PHE A 46 -12.906 8.315 3.893 1.00 0.00 N ATOM 700 CA PHE A 46 -12.287 8.761 2.650 1.00 0.00 C ATOM 701 C PHE A 46 -13.277 8.690 1.491 1.00 0.00 C ATOM 702 O PHE A 46 -12.882 8.531 0.336 1.00 0.00 O ATOM 703 CB PHE A 46 -11.055 7.910 2.335 1.00 0.00 C ATOM 704 CG PHE A 46 -9.933 8.091 3.316 1.00 0.00 C ATOM 705 CD1 PHE A 46 -9.411 9.350 3.567 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.399 7.002 3.986 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.379 9.520 4.470 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.365 7.166 4.889 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.855 8.426 5.131 1.00 0.00 C ATOM 0 H PHE A 46 -12.987 7.302 3.984 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.981 9.799 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.345 6.859 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.697 8.160 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.815 10.208 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.795 6.014 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.983 10.507 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.957 6.309 5.405 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.047 8.556 5.836 1.00 0.00 H new ATOM 719 N THR A 47 -14.563 8.807 1.805 1.00 0.00 N ATOM 720 CA THR A 47 -15.606 8.754 0.786 1.00 0.00 C ATOM 721 C THR A 47 -16.818 9.587 1.193 1.00 0.00 C ATOM 722 O THR A 47 -17.383 10.317 0.378 1.00 0.00 O ATOM 723 CB THR A 47 -16.031 7.306 0.537 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.634 6.754 1.694 1.00 0.00 O ATOM 725 CG2 THR A 47 -14.882 6.403 0.143 1.00 0.00 C ATOM 0 H THR A 47 -14.908 8.939 2.756 1.00 0.00 H new ATOM 0 HA THR A 47 -15.196 9.172 -0.134 1.00 0.00 H new ATOM 0 HB THR A 47 -16.736 7.352 -0.293 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.245 7.165 2.494 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.253 5.391 -0.018 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.427 6.773 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.137 6.393 0.939 1.00 0.00 H new ATOM 733 N LYS A 48 -17.216 9.471 2.458 1.00 0.00 N ATOM 734 CA LYS A 48 -18.366 10.211 2.974 1.00 0.00 C ATOM 735 C LYS A 48 -18.289 11.691 2.601 1.00 0.00 C ATOM 736 O LYS A 48 -18.945 12.137 1.660 1.00 0.00 O ATOM 737 CB LYS A 48 -18.454 10.058 4.495 1.00 0.00 C ATOM 738 CG LYS A 48 -18.896 8.675 4.943 1.00 0.00 C ATOM 739 CD LYS A 48 -18.908 8.558 6.458 1.00 0.00 C ATOM 740 CE LYS A 48 -17.530 8.807 7.051 1.00 0.00 C ATOM 741 NZ LYS A 48 -17.424 10.163 7.658 1.00 0.00 N ATOM 0 H LYS A 48 -16.759 8.871 3.145 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.264 9.794 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.479 10.278 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.152 10.798 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -19.892 8.466 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.226 7.924 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.618 9.274 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.253 7.564 6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.319 8.052 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.775 8.697 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.427 10.373 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.795 10.871 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.976 10.193 8.539 1.00 0.00 H new ATOM 755 N ASN A 49 -17.488 12.447 3.346 1.00 0.00 N ATOM 756 CA ASN A 49 -17.333 13.875 3.092 1.00 0.00 C ATOM 757 C ASN A 49 -15.977 14.174 2.461 1.00 0.00 C ATOM 758 O ASN A 49 -15.052 14.627 3.136 1.00 0.00 O ATOM 759 CB ASN A 49 -17.487 14.666 4.393 1.00 0.00 C ATOM 760 CG ASN A 49 -18.940 14.856 4.786 1.00 0.00 C ATOM 761 OD1 ASN A 49 -19.609 13.914 5.208 1.00 0.00 O ATOM 762 ND2 ASN A 49 -19.434 16.080 4.647 1.00 0.00 N ATOM 0 H ASN A 49 -16.937 12.095 4.129 1.00 0.00 H new ATOM 0 HA ASN A 49 -18.113 14.179 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.961 14.147 5.195 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.013 15.641 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.405 16.269 4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.842 16.832 4.293 1.00 0.00 H new ATOM 769 N GLN A 50 -15.865 13.918 1.161 1.00 0.00 N ATOM 770 CA GLN A 50 -14.621 14.162 0.440 1.00 0.00 C ATOM 771 C GLN A 50 -14.815 15.223 -0.639 1.00 0.00 C ATOM 772 O GLN A 50 -15.836 15.243 -1.327 1.00 0.00 O ATOM 773 CB GLN A 50 -14.106 12.865 -0.190 1.00 0.00 C ATOM 774 CG GLN A 50 -13.813 11.765 0.818 1.00 0.00 C ATOM 775 CD GLN A 50 -13.030 12.262 2.018 1.00 0.00 C ATOM 776 OE1 GLN A 50 -13.710 12.404 3.148 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 -11.828 12.516 1.929 1.00 0.00 N flip ATOM 0 H GLN A 50 -16.619 13.542 0.586 1.00 0.00 H new ATOM 0 HA GLN A 50 -13.884 14.527 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -14.844 12.502 -0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -13.197 13.081 -0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.753 11.330 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.252 10.969 0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.345 12.392 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.316 12.850 2.745 1.00 0.00 H new ATOM 786 N LYS A 51 -13.828 16.102 -0.781 1.00 0.00 N ATOM 787 CA LYS A 51 -13.889 17.166 -1.776 1.00 0.00 C ATOM 788 C LYS A 51 -13.280 16.710 -3.099 1.00 0.00 C ATOM 789 O LYS A 51 -13.698 17.149 -4.169 1.00 0.00 O ATOM 790 CB LYS A 51 -13.159 18.412 -1.270 1.00 0.00 C ATOM 791 CG LYS A 51 -13.726 18.963 0.029 1.00 0.00 C ATOM 792 CD LYS A 51 -13.833 20.479 -0.007 1.00 0.00 C ATOM 793 CE LYS A 51 -14.904 20.938 -0.983 1.00 0.00 C ATOM 794 NZ LYS A 51 -14.701 22.350 -1.405 1.00 0.00 N ATOM 0 H LYS A 51 -12.977 16.098 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.938 17.411 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.106 18.172 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.206 19.187 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.711 18.532 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.090 18.662 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.064 20.852 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.872 20.906 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.896 20.292 -1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.885 20.835 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.452 22.625 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.734 22.970 -0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.775 22.444 -1.870 1.00 0.00 H new ATOM 808 N ASP A 52 -12.289 15.828 -3.014 1.00 0.00 N ATOM 809 CA ASP A 52 -11.619 15.312 -4.203 1.00 0.00 C ATOM 810 C ASP A 52 -12.402 14.148 -4.809 1.00 0.00 C ATOM 811 O ASP A 52 -12.467 13.067 -4.223 1.00 0.00 O ATOM 812 CB ASP A 52 -10.201 14.856 -3.854 1.00 0.00 C ATOM 813 CG ASP A 52 -9.203 15.181 -4.947 1.00 0.00 C ATOM 814 OD1 ASP A 52 -9.417 14.739 -6.096 1.00 0.00 O ATOM 815 OD2 ASP A 52 -8.210 15.880 -4.656 1.00 0.00 O ATOM 0 H ASP A 52 -11.932 15.456 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.568 16.115 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.887 15.333 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.202 13.781 -3.675 1.00 0.00 H new ATOM 820 N PRO A 53 -13.011 14.346 -5.996 1.00 0.00 N ATOM 821 CA PRO A 53 -13.785 13.310 -6.671 1.00 0.00 C ATOM 822 C PRO A 53 -12.917 12.385 -7.523 1.00 0.00 C ATOM 823 O PRO A 53 -13.415 11.710 -8.423 1.00 0.00 O ATOM 824 CB PRO A 53 -14.752 14.106 -7.567 1.00 0.00 C ATOM 825 CG PRO A 53 -14.342 15.547 -7.463 1.00 0.00 C ATOM 826 CD PRO A 53 -13.005 15.584 -6.777 1.00 0.00 C ATOM 0 HA PRO A 53 -14.282 12.654 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.697 13.761 -8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -15.783 13.972 -7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.279 16.001 -8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -15.080 16.116 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.183 15.608 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.900 16.463 -6.142 1.00 0.00 H new ATOM 834 N GLY A 54 -11.617 12.358 -7.237 1.00 0.00 N ATOM 835 CA GLY A 54 -10.710 11.511 -7.990 1.00 0.00 C ATOM 836 C GLY A 54 -9.954 10.537 -7.108 1.00 0.00 C ATOM 837 O GLY A 54 -8.963 9.946 -7.535 1.00 0.00 O ATOM 0 H GLY A 54 -11.177 12.907 -6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.275 10.955 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.998 12.136 -8.528 1.00 0.00 H new ATOM 841 N VAL A 55 -10.418 10.369 -5.873 1.00 0.00 N ATOM 842 CA VAL A 55 -9.778 9.460 -4.930 1.00 0.00 C ATOM 843 C VAL A 55 -10.268 8.031 -5.129 1.00 0.00 C ATOM 844 O VAL A 55 -9.486 7.130 -5.436 1.00 0.00 O ATOM 845 CB VAL A 55 -10.049 9.883 -3.473 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.273 9.006 -2.504 1.00 0.00 C ATOM 847 CG2 VAL A 55 -9.705 11.349 -3.270 1.00 0.00 C ATOM 0 H VAL A 55 -11.236 10.852 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.706 9.506 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.112 9.751 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.479 9.322 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.577 7.967 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.206 9.099 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.903 11.629 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.650 11.510 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.315 11.961 -3.935 1.00 0.00 H new ATOM 857 N LEU A 56 -11.567 7.831 -4.946 1.00 0.00 N ATOM 858 CA LEU A 56 -12.174 6.518 -5.097 1.00 0.00 C ATOM 859 C LEU A 56 -12.136 6.063 -6.554 1.00 0.00 C ATOM 860 O LEU A 56 -11.694 4.957 -6.860 1.00 0.00 O ATOM 861 CB LEU A 56 -13.615 6.574 -4.584 1.00 0.00 C ATOM 862 CG LEU A 56 -14.560 5.494 -5.109 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.298 4.170 -4.412 1.00 0.00 C ATOM 864 CD2 LEU A 56 -16.000 5.933 -4.910 1.00 0.00 C ATOM 0 H LEU A 56 -12.224 8.569 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.609 5.792 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.594 6.512 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.032 7.548 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.380 5.352 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.981 3.414 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.270 3.859 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.455 4.286 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.671 5.161 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.188 6.093 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.176 6.862 -5.453 1.00 0.00 H new ATOM 876 N ASP A 57 -12.605 6.923 -7.446 1.00 0.00 N ATOM 877 CA ASP A 57 -12.632 6.616 -8.872 1.00 0.00 C ATOM 878 C ASP A 57 -11.243 6.247 -9.385 1.00 0.00 C ATOM 879 O ASP A 57 -11.108 5.509 -10.362 1.00 0.00 O ATOM 880 CB ASP A 57 -13.179 7.808 -9.656 1.00 0.00 C ATOM 881 CG ASP A 57 -14.029 7.385 -10.838 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.898 6.222 -11.275 1.00 0.00 O ATOM 883 OD2 ASP A 57 -14.827 8.214 -11.323 1.00 0.00 O ATOM 0 H ASP A 57 -12.974 7.844 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.287 5.757 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.773 8.434 -8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.348 8.418 -10.010 1.00 0.00 H new ATOM 888 N ARG A 58 -10.212 6.763 -8.724 1.00 0.00 N ATOM 889 CA ARG A 58 -8.836 6.484 -9.120 1.00 0.00 C ATOM 890 C ARG A 58 -8.527 4.994 -9.015 1.00 0.00 C ATOM 891 O ARG A 58 -8.007 4.391 -9.954 1.00 0.00 O ATOM 892 CB ARG A 58 -7.859 7.281 -8.251 1.00 0.00 C ATOM 893 CG ARG A 58 -7.019 8.275 -9.035 1.00 0.00 C ATOM 894 CD ARG A 58 -5.673 8.514 -8.372 1.00 0.00 C ATOM 895 NE ARG A 58 -4.627 7.662 -8.933 1.00 0.00 N ATOM 896 CZ ARG A 58 -4.026 7.895 -10.098 1.00 0.00 C ATOM 897 NH1 ARG A 58 -4.367 8.950 -10.829 1.00 0.00 N ATOM 898 NH2 ARG A 58 -3.082 7.073 -10.533 1.00 0.00 N ATOM 0 H ARG A 58 -10.303 7.375 -7.913 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.718 6.788 -10.160 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.420 7.817 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.197 6.587 -7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.865 7.903 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.556 9.219 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.391 9.560 -8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.758 8.327 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.340 6.840 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.092 9.586 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.903 9.124 -11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.816 6.262 -9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.622 7.252 -11.426 1.00 0.00 H new ATOM 911 N MET A 59 -8.840 4.407 -7.864 1.00 0.00 N ATOM 912 CA MET A 59 -8.584 2.989 -7.638 1.00 0.00 C ATOM 913 C MET A 59 -9.271 2.129 -8.690 1.00 0.00 C ATOM 914 O MET A 59 -8.634 1.301 -9.337 1.00 0.00 O ATOM 915 CB MET A 59 -9.038 2.585 -6.228 1.00 0.00 C ATOM 916 CG MET A 59 -10.496 2.139 -6.114 1.00 0.00 C ATOM 917 SD MET A 59 -10.926 1.554 -4.461 1.00 0.00 S ATOM 918 CE MET A 59 -9.913 2.633 -3.460 1.00 0.00 C ATOM 0 H MET A 59 -9.270 4.890 -7.075 1.00 0.00 H new ATOM 0 HA MET A 59 -7.510 2.821 -7.722 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.399 1.775 -5.877 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.880 3.430 -5.557 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.147 2.972 -6.380 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.685 1.344 -6.836 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.402 2.047 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.175 3.128 -4.091 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.543 3.383 -2.982 1.00 0.00 H new ATOM 928 N MET A 60 -10.571 2.327 -8.851 1.00 0.00 N ATOM 929 CA MET A 60 -11.344 1.560 -9.819 1.00 0.00 C ATOM 930 C MET A 60 -10.797 1.737 -11.233 1.00 0.00 C ATOM 931 O MET A 60 -11.018 0.895 -12.103 1.00 0.00 O ATOM 932 CB MET A 60 -12.814 1.974 -9.761 1.00 0.00 C ATOM 933 CG MET A 60 -13.532 1.468 -8.519 1.00 0.00 C ATOM 934 SD MET A 60 -14.635 0.087 -8.869 1.00 0.00 S ATOM 935 CE MET A 60 -13.511 -1.034 -9.697 1.00 0.00 C ATOM 0 H MET A 60 -11.113 3.012 -8.324 1.00 0.00 H new ATOM 0 HA MET A 60 -11.260 0.505 -9.560 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.880 3.062 -9.793 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.326 1.598 -10.647 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.794 1.160 -7.778 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.106 2.283 -8.078 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.078 -1.839 -10.164 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.954 -0.492 -10.461 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.816 -1.455 -8.971 1.00 0.00 H new ATOM 945 N LYS A 61 -10.089 2.837 -11.457 1.00 0.00 N ATOM 946 CA LYS A 61 -9.515 3.129 -12.766 1.00 0.00 C ATOM 947 C LYS A 61 -8.236 2.329 -13.021 1.00 0.00 C ATOM 948 O LYS A 61 -8.152 1.566 -13.983 1.00 0.00 O ATOM 949 CB LYS A 61 -9.218 4.624 -12.890 1.00 0.00 C ATOM 950 CG LYS A 61 -10.422 5.452 -13.308 1.00 0.00 C ATOM 951 CD LYS A 61 -10.175 6.936 -13.099 1.00 0.00 C ATOM 952 CE LYS A 61 -11.475 7.722 -13.094 1.00 0.00 C ATOM 953 NZ LYS A 61 -11.985 7.962 -14.473 1.00 0.00 N ATOM 0 H LYS A 61 -9.898 3.544 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.250 2.835 -13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.849 4.993 -11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.419 4.768 -13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.648 5.264 -14.358 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.295 5.143 -12.733 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.652 7.089 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.524 7.312 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.225 7.179 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.319 8.678 -12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.873 8.501 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.280 8.502 -15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.158 7.050 -14.943 1.00 0.00 H new ATOM 967 N LYS A 62 -7.234 2.536 -12.170 1.00 0.00 N ATOM 968 CA LYS A 62 -5.943 1.864 -12.316 1.00 0.00 C ATOM 969 C LYS A 62 -5.950 0.429 -11.781 1.00 0.00 C ATOM 970 O LYS A 62 -4.903 -0.217 -11.731 1.00 0.00 O ATOM 971 CB LYS A 62 -4.850 2.672 -11.611 1.00 0.00 C ATOM 972 CG LYS A 62 -3.720 3.107 -12.533 1.00 0.00 C ATOM 973 CD LYS A 62 -3.214 1.953 -13.387 1.00 0.00 C ATOM 974 CE LYS A 62 -1.715 1.750 -13.223 1.00 0.00 C ATOM 975 NZ LYS A 62 -1.338 1.511 -11.803 1.00 0.00 N ATOM 0 H LYS A 62 -7.291 3.165 -11.369 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.739 1.805 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.299 3.556 -11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.435 2.074 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.068 3.913 -13.179 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.899 3.507 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.738 1.038 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.443 2.147 -14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.395 0.904 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.187 2.628 -13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.503 0.892 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.118 2.418 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.130 1.055 -11.306 1.00 0.00 H new ATOM 989 N LEU A 63 -7.112 -0.074 -11.382 1.00 0.00 N ATOM 990 CA LEU A 63 -7.198 -1.436 -10.858 1.00 0.00 C ATOM 991 C LEU A 63 -7.065 -2.475 -11.968 1.00 0.00 C ATOM 992 O LEU A 63 -7.011 -3.675 -11.700 1.00 0.00 O ATOM 993 CB LEU A 63 -8.509 -1.641 -10.088 1.00 0.00 C ATOM 994 CG LEU A 63 -9.632 -2.338 -10.859 1.00 0.00 C ATOM 995 CD1 LEU A 63 -10.888 -2.419 -10.007 1.00 0.00 C ATOM 996 CD2 LEU A 63 -9.914 -1.611 -12.168 1.00 0.00 C ATOM 0 H LEU A 63 -7.998 0.431 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.364 -1.574 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.295 -2.222 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.871 -0.667 -9.758 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.312 -3.353 -11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.678 -2.917 -10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.676 -2.985 -9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.212 -1.413 -9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.715 -2.121 -12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.215 -0.585 -11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.014 -1.606 -12.783 1.00 0.00 H new ATOM 1008 N ASP A 64 -7.016 -2.015 -13.211 1.00 0.00 N ATOM 1009 CA ASP A 64 -6.895 -2.913 -14.346 1.00 0.00 C ATOM 1010 C ASP A 64 -8.129 -3.805 -14.459 1.00 0.00 C ATOM 1011 O ASP A 64 -9.044 -3.516 -15.228 1.00 0.00 O ATOM 1012 CB ASP A 64 -5.627 -3.765 -14.224 1.00 0.00 C ATOM 1013 CG ASP A 64 -4.548 -3.342 -15.202 1.00 0.00 C ATOM 1014 OD1 ASP A 64 -4.897 -2.930 -16.328 1.00 0.00 O ATOM 1015 OD2 ASP A 64 -3.355 -3.423 -14.841 1.00 0.00 O ATOM 0 H ASP A 64 -7.058 -1.026 -13.456 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.821 -2.312 -15.252 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.240 -3.692 -13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.878 -4.812 -14.395 1.00 0.00 H new ATOM 1020 N LEU A 65 -8.149 -4.884 -13.679 1.00 0.00 N ATOM 1021 CA LEU A 65 -9.271 -5.816 -13.682 1.00 0.00 C ATOM 1022 C LEU A 65 -9.439 -6.478 -15.048 1.00 0.00 C ATOM 1023 O LEU A 65 -9.081 -7.641 -15.230 1.00 0.00 O ATOM 1024 CB LEU A 65 -10.561 -5.092 -13.284 1.00 0.00 C ATOM 1025 CG LEU A 65 -11.234 -5.619 -12.014 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -11.775 -7.022 -12.244 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -10.257 -5.603 -10.845 1.00 0.00 C ATOM 0 H LEU A 65 -7.398 -5.134 -13.036 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.060 -6.598 -12.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.338 -4.034 -13.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.270 -5.164 -14.109 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.070 -4.965 -11.768 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.250 -7.383 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.507 -7.002 -13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.956 -7.688 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.753 -5.981 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.400 -6.234 -11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.918 -4.582 -10.668 1.00 0.00 H new ATOM 1039 N ASN A 66 -9.988 -5.730 -16.000 1.00 0.00 N ATOM 1040 CA ASN A 66 -10.208 -6.245 -17.349 1.00 0.00 C ATOM 1041 C ASN A 66 -11.215 -7.393 -17.341 1.00 0.00 C ATOM 1042 O ASN A 66 -11.271 -8.186 -18.281 1.00 0.00 O ATOM 1043 CB ASN A 66 -8.888 -6.713 -17.963 1.00 0.00 C ATOM 1044 CG ASN A 66 -8.215 -5.632 -18.785 1.00 0.00 C ATOM 1045 OD1 ASN A 66 -8.859 -4.949 -19.581 1.00 0.00 O ATOM 1046 ND2 ASN A 66 -6.910 -5.470 -18.595 1.00 0.00 N ATOM 0 H ASN A 66 -10.289 -4.765 -15.863 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.615 -5.435 -17.955 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.214 -7.033 -17.168 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.072 -7.583 -18.594 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.403 -4.757 -19.119 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.415 -6.059 -17.925 1.00 0.00 H new ATOM 1053 N SER A 67 -12.010 -7.477 -16.276 1.00 0.00 N ATOM 1054 CA SER A 67 -13.015 -8.528 -16.149 1.00 0.00 C ATOM 1055 C SER A 67 -12.407 -9.904 -16.404 1.00 0.00 C ATOM 1056 O SER A 67 -11.196 -10.033 -16.587 1.00 0.00 O ATOM 1057 CB SER A 67 -14.171 -8.280 -17.120 1.00 0.00 C ATOM 1058 OG SER A 67 -15.216 -7.556 -16.495 1.00 0.00 O ATOM 0 H SER A 67 -11.977 -6.829 -15.489 1.00 0.00 H new ATOM 0 HA SER A 67 -13.396 -8.505 -15.128 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.809 -7.727 -17.987 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.553 -9.233 -17.486 1.00 0.00 H new ATOM 0 HG SER A 67 -15.942 -7.409 -17.137 1.00 0.00 H new ATOM 1064 N ASP A 68 -13.253 -10.929 -16.410 1.00 0.00 N ATOM 1065 CA ASP A 68 -12.794 -12.295 -16.635 1.00 0.00 C ATOM 1066 C ASP A 68 -11.696 -12.669 -15.644 1.00 0.00 C ATOM 1067 O ASP A 68 -10.876 -13.547 -15.910 1.00 0.00 O ATOM 1068 CB ASP A 68 -12.281 -12.453 -18.068 1.00 0.00 C ATOM 1069 CG ASP A 68 -13.360 -12.935 -19.019 1.00 0.00 C ATOM 1070 OD1 ASP A 68 -14.549 -12.656 -18.756 1.00 0.00 O ATOM 1071 OD2 ASP A 68 -13.016 -13.590 -20.024 1.00 0.00 O ATOM 0 H ASP A 68 -14.258 -10.840 -16.262 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.639 -12.967 -16.484 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.892 -11.497 -18.419 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.450 -13.159 -18.078 1.00 0.00 H new ATOM 1076 N GLY A 69 -11.688 -11.993 -14.498 1.00 0.00 N ATOM 1077 CA GLY A 69 -10.689 -12.263 -13.483 1.00 0.00 C ATOM 1078 C GLY A 69 -11.145 -11.842 -12.100 1.00 0.00 C ATOM 1079 O GLY A 69 -12.317 -11.990 -11.756 1.00 0.00 O ATOM 0 H GLY A 69 -12.357 -11.262 -14.256 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.458 -13.328 -13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.768 -11.738 -13.735 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.218 -11.314 -11.308 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.523 -10.870 -9.958 1.00 0.00 C ATOM 1085 C GLN A 70 -9.574 -9.758 -9.521 1.00 0.00 C ATOM 1086 O GLN A 70 -8.752 -9.286 -10.307 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.430 -12.045 -8.980 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.721 -12.837 -8.849 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.678 -12.223 -7.849 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -13.037 -10.963 -8.068 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -13.090 -12.873 -6.888 1.00 0.00 N flip ATOM 0 H GLN A 70 -9.244 -11.184 -11.582 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.540 -10.478 -9.954 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.635 -12.715 -9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.145 -11.667 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.207 -12.897 -9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.488 -13.858 -8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.788 -13.839 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.733 -12.446 -6.222 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.693 -9.344 -8.262 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.845 -8.292 -7.721 1.00 0.00 C ATOM 1102 C LEU A 71 -7.381 -8.767 -7.680 1.00 0.00 C ATOM 1103 O LEU A 71 -6.888 -9.289 -8.678 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.376 -7.868 -6.340 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.062 -6.495 -6.284 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.038 -5.398 -6.055 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.861 -6.221 -7.553 1.00 0.00 C ATOM 0 H LEU A 71 -10.369 -9.723 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.872 -7.412 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.084 -8.622 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.544 -7.867 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.759 -6.505 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.542 -4.432 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.521 -5.574 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.315 -5.399 -6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.334 -5.242 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.193 -6.239 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.628 -6.986 -7.672 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.678 -8.600 -6.552 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.283 -9.038 -6.466 1.00 0.00 C ATOM 1121 C ASP A 72 -4.638 -8.586 -5.159 1.00 0.00 C ATOM 1122 O ASP A 72 -5.319 -8.137 -4.240 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.474 -8.509 -7.656 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.774 -9.617 -8.418 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -4.379 -10.698 -8.584 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.621 -9.405 -8.848 1.00 0.00 O ATOM 0 H ASP A 72 -7.046 -8.173 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.281 -10.128 -6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.138 -7.970 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.733 -7.793 -7.299 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.314 -8.718 -5.086 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.573 -8.334 -3.890 1.00 0.00 C ATOM 1133 C PHE A 73 -2.319 -6.828 -3.836 1.00 0.00 C ATOM 1134 O PHE A 73 -2.773 -6.155 -2.908 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.256 -9.107 -3.804 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.275 -8.774 -4.891 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.385 -9.352 -6.145 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.758 -7.880 -4.656 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.517 -9.045 -7.146 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.663 -7.569 -5.653 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.542 -8.153 -6.900 1.00 0.00 C ATOM 0 H PHE A 73 -2.735 -9.087 -5.840 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.188 -8.591 -3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.793 -8.907 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.471 -10.175 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.185 -10.050 -6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.857 -7.422 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.420 -9.502 -8.120 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.464 -6.871 -5.458 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.248 -7.912 -7.681 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.610 -6.284 -4.827 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.347 -4.853 -4.836 1.00 0.00 C ATOM 1153 C GLN A 74 -2.553 -4.103 -5.356 1.00 0.00 C ATOM 1154 O GLN A 74 -2.726 -2.927 -5.057 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.112 -4.488 -5.659 1.00 0.00 C ATOM 1156 CG GLN A 74 0.610 -3.256 -5.119 1.00 0.00 C ATOM 1157 CD GLN A 74 0.415 -2.020 -5.983 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.204 -0.975 -5.423 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.818 -1.999 -7.146 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.218 -6.802 -5.614 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.147 -4.560 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.576 -5.333 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.409 -4.307 -6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.253 -3.046 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.675 -3.472 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.286 -2.816 -7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.684 -1.165 -7.717 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.410 -4.788 -6.114 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.616 -4.155 -6.628 1.00 0.00 C ATOM 1170 C GLU A 75 -5.297 -3.405 -5.494 1.00 0.00 C ATOM 1171 O GLU A 75 -5.893 -2.348 -5.696 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.564 -5.194 -7.228 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.914 -4.922 -8.681 1.00 0.00 C ATOM 1174 CD GLU A 75 -6.976 -5.864 -9.210 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -6.616 -6.960 -9.688 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -8.170 -5.504 -9.146 1.00 0.00 O ATOM 0 H GLU A 75 -3.291 -5.765 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.347 -3.458 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.107 -6.180 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.481 -5.221 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.263 -3.894 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.015 -5.014 -9.291 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.161 -3.953 -4.288 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.717 -3.337 -3.099 1.00 0.00 C ATOM 1185 C PHE A 76 -4.797 -2.225 -2.619 1.00 0.00 C ATOM 1186 O PHE A 76 -5.221 -1.084 -2.461 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.902 -4.367 -1.991 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.088 -4.079 -1.115 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.001 -3.142 -0.099 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.288 -4.741 -1.311 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -8.091 -2.870 0.706 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.381 -4.475 -0.508 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.282 -3.538 0.502 1.00 0.00 C ATOM 0 H PHE A 76 -4.666 -4.828 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.693 -2.921 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.017 -5.355 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.002 -4.397 -1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.071 -2.618 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.371 -5.474 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.011 -2.136 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.311 -4.999 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.135 -3.328 1.131 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.524 -2.562 -2.407 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.545 -1.578 -1.966 1.00 0.00 C ATOM 1205 C LEU A 77 -2.555 -0.387 -2.918 1.00 0.00 C ATOM 1206 O LEU A 77 -2.381 0.757 -2.504 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.152 -2.205 -1.887 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.770 -2.722 -0.498 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.388 -3.707 -0.579 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.425 -1.560 0.413 1.00 0.00 C ATOM 0 H LEU A 77 -3.152 -3.503 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.810 -1.231 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.098 -3.031 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.416 -1.466 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.626 -3.252 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.638 -4.058 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.101 -4.556 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.255 -3.214 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.155 -1.938 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.415 -1.006 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.287 -0.899 0.502 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.802 -0.671 -4.192 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.889 0.363 -5.211 1.00 0.00 C ATOM 1224 C ASN A 78 -4.234 1.064 -5.075 1.00 0.00 C ATOM 1225 O ASN A 78 -4.332 2.286 -5.185 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.731 -0.247 -6.616 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.702 0.323 -7.637 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -3.674 1.516 -7.938 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -4.567 -0.531 -8.173 1.00 0.00 N ATOM 0 H ASN A 78 -2.946 -1.618 -4.543 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.084 1.085 -5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.711 -0.080 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.874 -1.326 -6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.244 -0.206 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.555 -1.512 -7.894 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.267 0.265 -4.820 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.611 0.786 -4.653 1.00 0.00 C ATOM 1238 C LEU A 79 -6.663 1.722 -3.448 1.00 0.00 C ATOM 1239 O LEU A 79 -7.023 2.889 -3.574 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.604 -0.370 -4.461 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.503 -0.700 -5.662 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.707 -0.767 -6.957 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.236 -2.010 -5.427 1.00 0.00 C ATOM 0 H LEU A 79 -5.193 -0.748 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.886 1.344 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.040 -1.265 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.243 -0.135 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.232 0.105 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.377 -1.003 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.229 0.195 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.945 -1.542 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.869 -2.232 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.512 -2.813 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.854 -1.926 -4.533 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.288 1.195 -2.283 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.280 1.972 -1.052 1.00 0.00 C ATOM 1257 C ILE A 80 -5.097 2.934 -1.017 1.00 0.00 C ATOM 1258 O ILE A 80 -5.253 4.107 -0.681 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.270 1.072 0.203 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.815 1.844 1.398 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.876 0.562 0.509 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.785 2.741 2.049 1.00 0.00 C ATOM 0 H ILE A 80 -5.985 0.228 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.204 2.550 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.906 0.210 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.662 2.449 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.191 1.137 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.906 -0.068 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.508 -0.020 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.210 1.407 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.237 3.262 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.948 2.138 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.426 3.470 1.323 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.914 2.439 -1.384 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.740 3.289 -1.401 1.00 0.00 C ATOM 1276 C GLY A 81 -3.006 4.538 -2.203 1.00 0.00 C ATOM 1277 O GLY A 81 -2.760 5.651 -1.739 1.00 0.00 O ATOM 0 H GLY A 81 -3.752 1.472 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.462 3.556 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.897 2.747 -1.829 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.550 4.352 -3.403 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.885 5.490 -4.238 1.00 0.00 C ATOM 1283 C GLY A 82 -4.724 6.504 -3.479 1.00 0.00 C ATOM 1284 O GLY A 82 -4.501 7.710 -3.590 1.00 0.00 O ATOM 0 H GLY A 82 -3.763 3.441 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.970 5.965 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.430 5.150 -5.118 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.684 6.017 -2.689 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.531 6.902 -1.893 1.00 0.00 C ATOM 1290 C LEU A 83 -5.685 7.779 -0.983 1.00 0.00 C ATOM 1291 O LEU A 83 -5.884 8.988 -0.913 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.514 6.096 -1.047 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.127 4.892 -1.750 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.216 4.268 -0.893 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.669 5.296 -3.111 1.00 0.00 C ATOM 0 H LEU A 83 -5.891 5.024 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.090 7.534 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.001 5.752 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.318 6.757 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.349 4.143 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.641 3.410 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.790 3.943 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.999 5.003 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.104 4.426 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.434 6.062 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.858 5.690 -3.723 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.736 7.162 -0.284 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.864 7.902 0.622 1.00 0.00 C ATOM 1309 C ALA A 84 -3.155 9.036 -0.099 1.00 0.00 C ATOM 1310 O ALA A 84 -2.872 10.083 0.483 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.828 6.975 1.223 1.00 0.00 C ATOM 0 H ALA A 84 -4.552 6.160 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.488 8.323 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.183 7.538 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.328 6.181 1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.226 6.537 0.427 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.865 8.812 -1.368 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.175 9.805 -2.179 1.00 0.00 C ATOM 1319 C VAL A 85 -3.144 10.808 -2.779 1.00 0.00 C ATOM 1320 O VAL A 85 -2.746 11.885 -3.223 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.322 9.172 -3.306 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.127 9.575 -3.130 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.436 7.652 -3.334 1.00 0.00 C ATOM 0 H VAL A 85 -3.096 7.950 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.499 10.323 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.704 9.543 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.727 9.130 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.211 10.661 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.487 9.225 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.820 7.256 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.094 7.244 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.476 7.368 -3.498 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.412 10.447 -2.795 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.439 11.307 -3.342 1.00 0.00 C ATOM 1335 C ALA A 86 -6.381 11.811 -2.252 1.00 0.00 C ATOM 1336 O ALA A 86 -7.344 12.524 -2.532 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.198 10.539 -4.398 1.00 0.00 C ATOM 0 H ALA A 86 -4.756 9.558 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.973 12.185 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.977 11.174 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.512 10.231 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.654 9.656 -3.949 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.096 11.435 -1.009 1.00 0.00 N ATOM 1344 CA CYS A 87 -6.913 11.844 0.122 1.00 0.00 C ATOM 1345 C CYS A 87 -6.039 12.246 1.307 1.00 0.00 C ATOM 1346 O CYS A 87 -6.323 13.232 1.987 1.00 0.00 O ATOM 1347 CB CYS A 87 -7.863 10.714 0.528 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.604 11.198 0.576 1.00 0.00 S ATOM 0 H CYS A 87 -5.301 10.845 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.502 12.710 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.746 9.886 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.572 10.344 1.511 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.352 10.137 0.504 1.00 0.00 H new ATOM 1354 N HIS A 88 -4.976 11.482 1.556 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.080 11.785 2.667 1.00 0.00 C ATOM 1356 C HIS A 88 -3.074 12.864 2.276 1.00 0.00 C ATOM 1357 O HIS A 88 -3.235 13.536 1.258 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.349 10.524 3.131 1.00 0.00 C ATOM 1359 CG HIS A 88 -3.237 10.420 4.621 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -2.053 10.607 5.302 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -4.172 10.148 5.563 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -2.263 10.454 6.598 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -3.540 10.175 6.782 1.00 0.00 N ATOM 0 H HIS A 88 -4.718 10.660 1.011 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.684 12.161 3.493 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.873 9.647 2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.349 10.511 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.219 9.947 5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.517 10.542 7.374 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.985 10.007 7.684 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.041 13.030 3.097 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.015 14.036 2.839 1.00 0.00 C ATOM 1374 C GLU A 89 0.188 13.430 2.119 1.00 0.00 C ATOM 1375 O GLU A 89 1.330 13.816 2.366 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.569 14.683 4.154 1.00 0.00 C ATOM 1377 CG GLU A 89 -0.713 16.196 4.166 1.00 0.00 C ATOM 1378 CD GLU A 89 -1.500 16.700 5.360 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -2.581 16.140 5.638 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -1.036 17.656 6.016 1.00 0.00 O ATOM 0 H GLU A 89 -1.892 12.482 3.945 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.447 14.799 2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.154 14.264 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.473 14.424 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.277 16.651 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.207 16.517 3.249 1.00 0.00 H new ATOM 1387 N SER A 90 -0.076 12.484 1.223 1.00 0.00 N ATOM 1388 CA SER A 90 0.989 11.835 0.464 1.00 0.00 C ATOM 1389 C SER A 90 1.114 12.439 -0.936 1.00 0.00 C ATOM 1390 O SER A 90 1.863 11.934 -1.773 1.00 0.00 O ATOM 1391 CB SER A 90 0.730 10.328 0.365 1.00 0.00 C ATOM 1392 OG SER A 90 -0.450 9.963 1.059 1.00 0.00 O ATOM 0 H SER A 90 -1.015 12.150 1.005 1.00 0.00 H new ATOM 0 HA SER A 90 1.928 12.001 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.643 10.040 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.580 9.783 0.776 1.00 0.00 H new ATOM 0 HG SER A 90 -1.223 10.399 0.643 1.00 0.00 H new ATOM 1398 N PHE A 91 0.379 13.521 -1.183 1.00 0.00 N ATOM 1399 CA PHE A 91 0.407 14.196 -2.477 1.00 0.00 C ATOM 1400 C PHE A 91 -0.567 15.366 -2.486 1.00 0.00 C ATOM 1401 O PHE A 91 -0.275 16.430 -3.032 1.00 0.00 O ATOM 1402 CB PHE A 91 0.053 13.220 -3.602 1.00 0.00 C ATOM 1403 CG PHE A 91 0.875 13.412 -4.845 1.00 0.00 C ATOM 1404 CD1 PHE A 91 0.815 14.601 -5.554 1.00 0.00 C ATOM 1405 CD2 PHE A 91 1.705 12.402 -5.305 1.00 0.00 C ATOM 1406 CE1 PHE A 91 1.568 14.780 -6.699 1.00 0.00 C ATOM 1407 CE2 PHE A 91 2.461 12.575 -6.448 1.00 0.00 C ATOM 1408 CZ PHE A 91 2.391 13.766 -7.146 1.00 0.00 C ATOM 0 H PHE A 91 -0.246 13.950 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 91 1.417 14.572 -2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.186 12.200 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.002 13.334 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.172 15.397 -5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.761 11.469 -4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.513 15.711 -7.243 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.106 11.781 -6.796 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.980 13.903 -8.041 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.729 15.159 -1.874 1.00 0.00 N ATOM 1419 CA VAL A 92 -2.751 16.194 -1.806 1.00 0.00 C ATOM 1420 C VAL A 92 -2.227 17.427 -1.080 1.00 0.00 C ATOM 1421 O VAL A 92 -1.267 17.345 -0.314 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.021 15.691 -1.089 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -5.178 16.652 -1.315 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.385 14.285 -1.550 1.00 0.00 C ATOM 0 H VAL A 92 -1.985 14.283 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.006 16.455 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.815 15.650 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.065 16.281 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.917 17.635 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.383 16.730 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.284 13.953 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.568 14.290 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.564 13.604 -1.326 1.00 0.00 H new ATOM 1434 N LYS A 93 -2.858 18.569 -1.327 1.00 0.00 N ATOM 1435 CA LYS A 93 -2.449 19.819 -0.698 1.00 0.00 C ATOM 1436 C LYS A 93 -1.017 20.186 -1.089 1.00 0.00 C ATOM 1437 O LYS A 93 -0.378 21.009 -0.435 1.00 0.00 O ATOM 1438 CB LYS A 93 -2.565 19.711 0.825 1.00 0.00 C ATOM 1439 CG LYS A 93 -3.686 20.555 1.410 1.00 0.00 C ATOM 1440 CD LYS A 93 -4.986 19.769 1.502 1.00 0.00 C ATOM 1441 CE LYS A 93 -5.640 19.928 2.865 1.00 0.00 C ATOM 1442 NZ LYS A 93 -6.396 18.709 3.264 1.00 0.00 N ATOM 0 H LYS A 93 -3.655 18.655 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.114 20.607 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.727 18.668 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.620 20.014 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.400 20.905 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.837 21.440 0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.673 20.108 0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.788 18.714 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.875 20.141 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.315 20.784 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.827 18.858 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.142 18.519 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.748 17.897 3.307 1.00 0.00 H new ATOM 1456 N ALA A 94 -0.519 19.570 -2.159 1.00 0.00 N ATOM 1457 CA ALA A 94 0.833 19.834 -2.634 1.00 0.00 C ATOM 1458 C ALA A 94 0.816 20.431 -4.037 1.00 0.00 C ATOM 1459 O ALA A 94 1.734 21.153 -4.426 1.00 0.00 O ATOM 1460 CB ALA A 94 1.659 18.554 -2.613 1.00 0.00 C ATOM 0 H ALA A 94 -1.033 18.885 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 94 1.291 20.561 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.667 18.765 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.708 18.169 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.194 17.810 -3.259 1.00 0.00 H new ATOM 1466 N ALA A 95 -0.232 20.124 -4.797 1.00 0.00 N ATOM 1467 CA ALA A 95 -0.363 20.631 -6.155 1.00 0.00 C ATOM 1468 C ALA A 95 -1.806 21.030 -6.467 1.00 0.00 C ATOM 1469 O ALA A 95 -2.383 20.570 -7.453 1.00 0.00 O ATOM 1470 CB ALA A 95 0.120 19.582 -7.145 1.00 0.00 C ATOM 0 H ALA A 95 -1.001 19.527 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 95 0.254 21.525 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.020 19.966 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.166 19.349 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.480 18.678 -7.039 1.00 0.00 H new ATOM 1476 N PRO A 96 -2.416 21.896 -5.634 1.00 0.00 N ATOM 1477 CA PRO A 96 -3.798 22.345 -5.840 1.00 0.00 C ATOM 1478 C PRO A 96 -3.997 23.046 -7.185 1.00 0.00 C ATOM 1479 O PRO A 96 -4.947 22.749 -7.909 1.00 0.00 O ATOM 1480 CB PRO A 96 -4.036 23.325 -4.685 1.00 0.00 C ATOM 1481 CG PRO A 96 -3.026 22.955 -3.659 1.00 0.00 C ATOM 1482 CD PRO A 96 -1.822 22.504 -4.429 1.00 0.00 C ATOM 0 HA PRO A 96 -4.494 21.506 -5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.910 24.358 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.049 23.236 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.787 23.804 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.397 22.161 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.165 23.337 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.226 21.786 -3.865 1.00 0.00 H new ATOM 1490 N PRO A 97 -3.107 23.993 -7.542 1.00 0.00 N ATOM 1491 CA PRO A 97 -3.203 24.731 -8.801 1.00 0.00 C ATOM 1492 C PRO A 97 -2.572 23.982 -9.972 1.00 0.00 C ATOM 1493 O PRO A 97 -2.915 24.221 -11.129 1.00 0.00 O ATOM 1494 CB PRO A 97 -2.420 26.003 -8.500 1.00 0.00 C ATOM 1495 CG PRO A 97 -1.358 25.568 -7.547 1.00 0.00 C ATOM 1496 CD PRO A 97 -1.940 24.427 -6.748 1.00 0.00 C ATOM 0 HA PRO A 97 -4.237 24.898 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.990 26.429 -9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.059 26.768 -8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.463 25.250 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.064 26.389 -6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.219 23.619 -6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.234 24.749 -5.749 1.00 0.00 H new ATOM 1504 N GLN A 98 -1.644 23.079 -9.665 1.00 0.00 N ATOM 1505 CA GLN A 98 -0.960 22.300 -10.693 1.00 0.00 C ATOM 1506 C GLN A 98 -1.955 21.663 -11.660 1.00 0.00 C ATOM 1507 O GLN A 98 -3.083 21.343 -11.285 1.00 0.00 O ATOM 1508 CB GLN A 98 -0.097 21.214 -10.049 1.00 0.00 C ATOM 1509 CG GLN A 98 1.160 20.887 -10.840 1.00 0.00 C ATOM 1510 CD GLN A 98 0.995 19.659 -11.713 1.00 0.00 C ATOM 1511 OE1 GLN A 98 0.346 18.688 -11.325 1.00 0.00 O ATOM 1512 NE2 GLN A 98 1.584 19.696 -12.904 1.00 0.00 N ATOM 0 H GLN A 98 -1.348 22.869 -8.712 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.323 22.981 -11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.187 21.534 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.692 20.308 -9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.424 21.740 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.989 20.729 -10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.113 20.521 -13.186 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.507 18.899 -13.536 1.00 0.00 H new ATOM 1521 N LYS A 99 -1.527 21.483 -12.905 1.00 0.00 N ATOM 1522 CA LYS A 99 -2.377 20.885 -13.928 1.00 0.00 C ATOM 1523 C LYS A 99 -1.728 19.635 -14.511 1.00 0.00 C ATOM 1524 O LYS A 99 -0.819 19.722 -15.337 1.00 0.00 O ATOM 1525 CB LYS A 99 -2.654 21.896 -15.044 1.00 0.00 C ATOM 1526 CG LYS A 99 -3.866 22.775 -14.782 1.00 0.00 C ATOM 1527 CD LYS A 99 -4.199 23.637 -15.990 1.00 0.00 C ATOM 1528 CE LYS A 99 -5.258 22.985 -16.863 1.00 0.00 C ATOM 1529 NZ LYS A 99 -5.079 23.326 -18.303 1.00 0.00 N ATOM 0 H LYS A 99 -0.596 21.743 -13.230 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.320 20.600 -13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.777 22.530 -15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.801 21.359 -15.981 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.723 22.150 -14.532 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.675 23.413 -13.919 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.551 24.613 -15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.296 23.808 -16.577 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.215 21.903 -16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.247 23.305 -16.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.821 22.862 -18.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.145 24.357 -18.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.146 22.998 -18.624 1.00 0.00 H new ATOM 1543 N ARG A 100 -2.200 18.471 -14.077 1.00 0.00 N ATOM 1544 CA ARG A 100 -1.664 17.202 -14.556 1.00 0.00 C ATOM 1545 C ARG A 100 -2.514 16.647 -15.694 1.00 0.00 C ATOM 1546 O ARG A 100 -1.996 16.028 -16.624 1.00 0.00 O ATOM 1547 CB ARG A 100 -1.598 16.187 -13.413 1.00 0.00 C ATOM 1548 CG ARG A 100 -2.881 16.101 -12.602 1.00 0.00 C ATOM 1549 CD ARG A 100 -2.984 14.776 -11.865 1.00 0.00 C ATOM 1550 NE ARG A 100 -4.350 14.258 -11.858 1.00 0.00 N ATOM 1551 CZ ARG A 100 -5.328 14.755 -11.104 1.00 0.00 C ATOM 1552 NH1 ARG A 100 -5.095 15.781 -10.294 1.00 0.00 N ATOM 1553 NH2 ARG A 100 -6.542 14.224 -11.158 1.00 0.00 N ATOM 0 H ARG A 100 -2.953 18.380 -13.394 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.657 17.382 -14.932 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.371 15.203 -13.824 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -0.775 16.453 -12.749 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.916 16.921 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.740 16.219 -13.263 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.323 14.048 -12.334 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.640 14.904 -10.839 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.567 13.469 -12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.163 16.192 -10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.848 16.158 -9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.726 13.435 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.291 14.605 -10.580 1.00 0.00 H new ATOM 1566 N PHE A 101 -3.821 16.875 -15.616 1.00 0.00 N ATOM 1567 CA PHE A 101 -4.742 16.398 -16.640 1.00 0.00 C ATOM 1568 C PHE A 101 -6.034 17.210 -16.632 1.00 0.00 C ATOM 1569 O PHE A 101 -6.462 17.650 -17.720 1.00 0.00 O ATOM 1570 CB PHE A 101 -5.057 14.917 -16.423 1.00 0.00 C ATOM 1571 CG PHE A 101 -5.112 14.122 -17.697 1.00 0.00 C ATOM 1572 CD1 PHE A 101 -3.961 13.571 -18.235 1.00 0.00 C ATOM 1573 CD2 PHE A 101 -6.316 13.926 -18.355 1.00 0.00 C ATOM 1574 CE1 PHE A 101 -4.008 12.840 -19.407 1.00 0.00 C ATOM 1575 CE2 PHE A 101 -6.369 13.195 -19.526 1.00 0.00 C ATOM 1576 CZ PHE A 101 -5.214 12.652 -20.053 1.00 0.00 C ATOM 1577 OXT PHE A 101 -6.604 17.401 -15.538 1.00 0.00 O ATOM 0 H PHE A 101 -4.266 17.387 -14.854 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.262 16.522 -17.610 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.301 14.485 -15.767 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.013 14.829 -15.908 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.016 13.714 -17.733 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.222 14.349 -17.948 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.103 12.416 -19.817 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.313 13.048 -20.029 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.254 12.081 -20.969 1.00 0.00 H new TER 1587 PHE A 101 ATOM 1588 N SER B 1 -7.729 3.245 19.553 1.00 0.00 N ATOM 1589 CA SER B 1 -8.811 2.394 18.989 1.00 0.00 C ATOM 1590 C SER B 1 -10.099 3.190 18.800 1.00 0.00 C ATOM 1591 O SER B 1 -11.196 2.632 18.843 1.00 0.00 O ATOM 1592 CB SER B 1 -9.051 1.220 19.941 1.00 0.00 C ATOM 1593 OG SER B 1 -8.358 0.063 19.508 1.00 0.00 O ATOM 0 H1 SER B 1 -6.938 2.643 19.859 1.00 0.00 H new ATOM 0 H2 SER B 1 -7.396 3.911 18.826 1.00 0.00 H new ATOM 0 H3 SER B 1 -8.095 3.777 20.368 1.00 0.00 H new ATOM 0 HA SER B 1 -8.505 2.029 18.009 1.00 0.00 H new ATOM 0 HB2 SER B 1 -8.724 1.489 20.945 1.00 0.00 H new ATOM 0 HB3 SER B 1 -10.119 1.008 20.000 1.00 0.00 H new ATOM 0 HG SER B 1 -8.526 -0.672 20.134 1.00 0.00 H new ATOM 1601 N ARG B 2 -9.959 4.495 18.589 1.00 0.00 N ATOM 1602 CA ARG B 2 -11.115 5.364 18.392 1.00 0.00 C ATOM 1603 C ARG B 2 -11.513 5.420 16.918 1.00 0.00 C ATOM 1604 O ARG B 2 -12.676 5.211 16.575 1.00 0.00 O ATOM 1605 CB ARG B 2 -10.817 6.773 18.912 1.00 0.00 C ATOM 1606 CG ARG B 2 -11.486 7.085 20.241 1.00 0.00 C ATOM 1607 CD ARG B 2 -11.309 8.546 20.630 1.00 0.00 C ATOM 1608 NE ARG B 2 -9.954 9.026 20.363 1.00 0.00 N ATOM 1609 CZ ARG B 2 -9.573 9.586 19.216 1.00 0.00 C ATOM 1610 NH1 ARG B 2 -10.439 9.742 18.221 1.00 0.00 N ATOM 1611 NH2 ARG B 2 -8.320 9.993 19.063 1.00 0.00 N ATOM 0 H ARG B 2 -9.059 4.973 18.550 1.00 0.00 H new ATOM 0 HA ARG B 2 -11.950 4.948 18.956 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.739 6.891 19.021 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -11.144 7.502 18.170 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -12.549 6.851 20.177 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -11.066 6.448 21.019 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -12.025 9.157 20.079 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -11.534 8.669 21.689 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.257 8.926 21.101 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -11.404 9.432 18.332 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -10.139 10.172 17.346 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.650 9.877 19.823 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.027 10.422 18.185 1.00 0.00 H new ATOM 1624 N PRO B 3 -10.550 5.702 16.021 1.00 0.00 N ATOM 1625 CA PRO B 3 -10.802 5.786 14.578 1.00 0.00 C ATOM 1626 C PRO B 3 -11.189 4.425 13.987 1.00 0.00 C ATOM 1627 O PRO B 3 -12.075 3.750 14.512 1.00 0.00 O ATOM 1628 CB PRO B 3 -9.453 6.293 14.021 1.00 0.00 C ATOM 1629 CG PRO B 3 -8.759 6.872 15.198 1.00 0.00 C ATOM 1630 CD PRO B 3 -9.138 5.966 16.321 1.00 0.00 C ATOM 0 HA PRO B 3 -11.639 6.437 14.327 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.875 5.481 13.580 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -9.601 7.040 13.241 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.679 6.897 15.052 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -9.079 7.897 15.386 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.543 5.053 16.330 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.007 6.441 17.293 1.00 0.00 H new ATOM 1638 N THR B 4 -10.531 4.021 12.902 1.00 0.00 N ATOM 1639 CA THR B 4 -10.823 2.743 12.263 1.00 0.00 C ATOM 1640 C THR B 4 -9.547 1.966 11.976 1.00 0.00 C ATOM 1641 O THR B 4 -8.506 2.542 11.661 1.00 0.00 O ATOM 1642 CB THR B 4 -11.628 2.947 10.972 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.457 1.849 10.093 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.256 4.202 10.208 1.00 0.00 C ATOM 0 H THR B 4 -9.793 4.561 12.449 1.00 0.00 H new ATOM 0 HA THR B 4 -11.427 2.158 12.957 1.00 0.00 H new ATOM 0 HB THR B 4 -12.663 3.040 11.301 1.00 0.00 H new ATOM 0 HG1 THR B 4 -11.758 2.099 9.195 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.868 4.275 9.309 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.429 5.075 10.837 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.203 4.159 9.928 1.00 0.00 H new ATOM 1652 N GLU B 5 -9.648 0.649 12.095 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.525 -0.244 11.858 1.00 0.00 C ATOM 1654 C GLU B 5 -7.773 0.145 10.588 1.00 0.00 C ATOM 1655 O GLU B 5 -6.544 0.225 10.581 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.040 -1.674 11.755 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.177 -2.690 12.486 1.00 0.00 C ATOM 1658 CD GLU B 5 -8.100 -4.019 11.760 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -7.228 -4.162 10.877 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -8.911 -4.916 12.073 1.00 0.00 O ATOM 0 H GLU B 5 -10.510 0.171 12.358 1.00 0.00 H new ATOM 0 HA GLU B 5 -7.827 -0.165 12.691 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.053 -1.716 12.156 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.102 -1.953 10.703 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -7.171 -2.287 12.607 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.579 -2.849 13.487 1.00 0.00 H new ATOM 1667 N THR B 6 -8.521 0.402 9.523 1.00 0.00 N ATOM 1668 CA THR B 6 -7.930 0.803 8.255 1.00 0.00 C ATOM 1669 C THR B 6 -7.255 2.162 8.398 1.00 0.00 C ATOM 1670 O THR B 6 -6.159 2.383 7.894 1.00 0.00 O ATOM 1671 CB THR B 6 -9.003 0.866 7.168 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.068 -0.021 7.461 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.482 0.518 5.791 1.00 0.00 C ATOM 0 H THR B 6 -9.539 0.340 9.513 1.00 0.00 H new ATOM 0 HA THR B 6 -7.182 0.064 7.969 1.00 0.00 H new ATOM 0 HB THR B 6 -9.343 1.902 7.159 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.813 0.481 7.853 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.295 0.582 5.068 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.693 1.217 5.513 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.083 -0.496 5.799 1.00 0.00 H new ATOM 1681 N GLU B 7 -7.913 3.069 9.107 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.371 4.408 9.315 1.00 0.00 C ATOM 1683 C GLU B 7 -5.939 4.331 9.831 1.00 0.00 C ATOM 1684 O GLU B 7 -5.094 5.150 9.472 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.244 5.183 10.308 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.069 6.285 9.661 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.259 7.540 9.399 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.274 7.462 8.635 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.610 8.600 9.957 1.00 0.00 O ATOM 0 H GLU B 7 -8.819 2.905 9.547 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.369 4.932 8.359 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.914 4.486 10.811 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.606 5.621 11.075 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.482 5.920 8.721 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.913 6.529 10.306 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.669 3.330 10.658 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.335 3.132 11.203 1.00 0.00 C ATOM 1698 C ARG B 8 -3.427 2.448 10.181 1.00 0.00 C ATOM 1699 O ARG B 8 -2.209 2.616 10.212 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.401 2.302 12.488 1.00 0.00 C ATOM 1701 CG ARG B 8 -3.589 2.887 13.633 1.00 0.00 C ATOM 1702 CD ARG B 8 -2.122 2.497 13.534 1.00 0.00 C ATOM 1703 NE ARG B 8 -1.285 3.618 13.113 1.00 0.00 N ATOM 1704 CZ ARG B 8 0.034 3.665 13.285 1.00 0.00 C ATOM 1705 NH1 ARG B 8 0.671 2.657 13.868 1.00 0.00 N ATOM 1706 NH2 ARG B 8 0.720 4.723 12.873 1.00 0.00 N ATOM 0 H ARG B 8 -6.357 2.643 10.966 1.00 0.00 H new ATOM 0 HA ARG B 8 -3.915 4.110 11.437 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.442 2.213 12.800 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.044 1.294 12.278 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -3.679 3.973 13.626 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -3.995 2.540 14.583 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -1.778 2.131 14.501 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -2.012 1.676 12.825 1.00 0.00 H new ATOM 0 HE ARG B 8 -1.738 4.412 12.660 1.00 0.00 H new ATOM 0 HH11 ARG B 8 0.150 1.840 14.187 1.00 0.00 H new ATOM 0 HH12 ARG B 8 1.682 2.699 13.997 1.00 0.00 H new ATOM 0 HH21 ARG B 8 0.237 5.501 12.424 1.00 0.00 H new ATOM 0 HH22 ARG B 8 1.731 4.758 13.005 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.028 1.668 9.282 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.266 0.954 8.261 1.00 0.00 C ATOM 1721 C CYS B 9 -2.695 1.915 7.221 1.00 0.00 C ATOM 1722 O CYS B 9 -1.553 1.768 6.789 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.136 -0.119 7.584 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.186 0.469 6.229 1.00 0.00 S ATOM 0 H CYS B 9 -5.036 1.516 9.241 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.430 0.461 8.756 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.483 -0.903 7.200 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.772 -0.577 8.341 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.877 1.495 6.629 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.498 2.893 6.821 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.072 3.866 5.830 1.00 0.00 C ATOM 1732 C ILE B 10 -1.996 4.794 6.378 1.00 0.00 C ATOM 1733 O ILE B 10 -0.930 4.936 5.786 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.258 4.722 5.342 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.399 3.830 4.862 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.815 5.653 4.226 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.597 3.821 5.778 1.00 0.00 C ATOM 0 H ILE B 10 -4.447 3.031 7.169 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.663 3.297 4.995 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.615 5.323 6.178 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.714 4.161 3.872 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.029 2.810 4.754 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.663 6.250 3.892 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.029 6.313 4.593 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.435 5.065 3.391 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.364 3.164 5.368 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.299 3.460 6.763 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -6.995 4.832 5.867 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.290 5.443 7.497 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.358 6.388 8.103 1.00 0.00 C ATOM 1751 C GLU B 11 0.030 5.788 8.295 1.00 0.00 C ATOM 1752 O GLU B 11 1.025 6.512 8.316 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.902 6.891 9.438 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.967 8.406 9.517 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.324 8.955 10.775 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.101 8.764 10.950 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -2.043 9.575 11.587 1.00 0.00 O ATOM 0 H GLU B 11 -3.168 5.333 8.005 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.258 7.227 7.414 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.900 6.481 9.596 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.272 6.517 10.245 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.472 8.833 8.645 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.009 8.723 9.479 1.00 0.00 H new ATOM 1764 N SER B 12 0.101 4.474 8.446 1.00 0.00 N ATOM 1765 CA SER B 12 1.382 3.812 8.649 1.00 0.00 C ATOM 1766 C SER B 12 2.189 3.725 7.349 1.00 0.00 C ATOM 1767 O SER B 12 3.330 4.178 7.297 1.00 0.00 O ATOM 1768 CB SER B 12 1.165 2.417 9.231 1.00 0.00 C ATOM 1769 OG SER B 12 0.242 2.449 10.303 1.00 0.00 O ATOM 0 H SER B 12 -0.705 3.849 8.432 1.00 0.00 H new ATOM 0 HA SER B 12 1.958 4.412 9.354 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.799 1.748 8.452 1.00 0.00 H new ATOM 0 HB3 SER B 12 2.116 2.013 9.578 1.00 0.00 H new ATOM 0 HG SER B 12 -0.651 2.218 9.973 1.00 0.00 H new ATOM 1775 N LEU B 13 1.603 3.134 6.309 1.00 0.00 N ATOM 1776 CA LEU B 13 2.285 2.982 5.026 1.00 0.00 C ATOM 1777 C LEU B 13 2.661 4.329 4.402 1.00 0.00 C ATOM 1778 O LEU B 13 3.630 4.426 3.650 1.00 0.00 O ATOM 1779 CB LEU B 13 1.420 2.168 4.076 1.00 0.00 C ATOM 1780 CG LEU B 13 1.687 0.664 4.112 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.141 0.369 3.781 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.337 0.075 5.469 1.00 0.00 C ATOM 0 H LEU B 13 0.657 2.753 6.330 1.00 0.00 H new ATOM 0 HA LEU B 13 3.220 2.451 5.208 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.372 2.345 4.317 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.579 2.529 3.060 1.00 0.00 H new ATOM 0 HG LEU B 13 1.050 0.199 3.360 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.310 -0.707 3.812 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.370 0.744 2.783 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.787 0.859 4.510 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.538 -0.996 5.463 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.941 0.553 6.240 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.281 0.245 5.678 1.00 0.00 H new ATOM 1794 N ILE B 14 1.913 5.368 4.719 1.00 0.00 N ATOM 1795 CA ILE B 14 2.202 6.690 4.204 1.00 0.00 C ATOM 1796 C ILE B 14 3.436 7.248 4.859 1.00 0.00 C ATOM 1797 O ILE B 14 4.224 7.953 4.242 1.00 0.00 O ATOM 1798 CB ILE B 14 1.078 7.662 4.537 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.274 7.087 4.188 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.297 8.979 3.844 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.351 7.658 5.062 1.00 0.00 C ATOM 0 H ILE B 14 1.099 5.321 5.332 1.00 0.00 H new ATOM 0 HA ILE B 14 2.327 6.587 3.126 1.00 0.00 H new ATOM 0 HB ILE B 14 1.092 7.832 5.614 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.502 7.296 3.143 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.250 6.003 4.298 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.484 9.661 4.093 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.244 9.409 4.170 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.322 8.823 2.766 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.312 7.224 4.786 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.134 7.426 6.105 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.390 8.739 4.932 1.00 0.00 H new ATOM 1813 N ALA B 15 3.551 6.944 6.134 1.00 0.00 N ATOM 1814 CA ALA B 15 4.629 7.424 6.958 1.00 0.00 C ATOM 1815 C ALA B 15 5.937 6.718 6.648 1.00 0.00 C ATOM 1816 O ALA B 15 6.990 7.350 6.595 1.00 0.00 O ATOM 1817 CB ALA B 15 4.204 7.262 8.401 1.00 0.00 C ATOM 0 H ALA B 15 2.888 6.349 6.630 1.00 0.00 H new ATOM 0 HA ALA B 15 4.825 8.476 6.752 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.999 7.617 9.057 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.299 7.842 8.581 1.00 0.00 H new ATOM 0 HB3 ALA B 15 4.007 6.210 8.606 1.00 0.00 H new ATOM 1823 N VAL B 16 5.869 5.418 6.405 1.00 0.00 N ATOM 1824 CA VAL B 16 7.053 4.657 6.058 1.00 0.00 C ATOM 1825 C VAL B 16 7.749 5.313 4.876 1.00 0.00 C ATOM 1826 O VAL B 16 8.975 5.311 4.770 1.00 0.00 O ATOM 1827 CB VAL B 16 6.681 3.214 5.673 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.908 2.545 6.782 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.851 3.200 4.408 1.00 0.00 C ATOM 0 H VAL B 16 5.008 4.872 6.442 1.00 0.00 H new ATOM 0 HA VAL B 16 7.714 4.636 6.925 1.00 0.00 H new ATOM 0 HB VAL B 16 7.608 2.666 5.504 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.656 1.526 6.487 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.516 2.521 7.686 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.992 3.104 6.975 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.597 2.172 4.151 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.936 3.771 4.567 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.421 3.647 3.594 1.00 0.00 H new ATOM 1839 N PHE B 17 6.933 5.857 3.978 1.00 0.00 N ATOM 1840 CA PHE B 17 7.439 6.506 2.773 1.00 0.00 C ATOM 1841 C PHE B 17 7.928 7.933 3.034 1.00 0.00 C ATOM 1842 O PHE B 17 9.088 8.247 2.777 1.00 0.00 O ATOM 1843 CB PHE B 17 6.340 6.515 1.699 1.00 0.00 C ATOM 1844 CG PHE B 17 6.395 7.690 0.757 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.573 8.024 0.107 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.266 8.462 0.529 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.624 9.105 -0.752 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.312 9.544 -0.330 1.00 0.00 C ATOM 1849 CZ PHE B 17 6.492 9.866 -0.971 1.00 0.00 C ATOM 0 H PHE B 17 5.917 5.861 4.062 1.00 0.00 H new ATOM 0 HA PHE B 17 8.300 5.934 2.428 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.411 5.596 1.117 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.368 6.506 2.192 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.461 7.432 0.274 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.341 8.215 1.028 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.548 9.355 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE B 17 4.426 10.137 -0.500 1.00 0.00 H new ATOM 0 HZ PHE B 17 6.530 10.711 -1.642 1.00 0.00 H new ATOM 1859 N GLN B 18 7.034 8.798 3.513 1.00 0.00 N ATOM 1860 CA GLN B 18 7.383 10.199 3.762 1.00 0.00 C ATOM 1861 C GLN B 18 8.333 10.379 4.938 1.00 0.00 C ATOM 1862 O GLN B 18 9.054 11.374 5.001 1.00 0.00 O ATOM 1863 CB GLN B 18 6.131 11.044 3.987 1.00 0.00 C ATOM 1864 CG GLN B 18 5.103 10.384 4.877 1.00 0.00 C ATOM 1865 CD GLN B 18 3.699 10.871 4.598 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.316 10.856 3.328 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 2.967 11.255 5.511 1.00 0.00 N flip ATOM 0 H GLN B 18 6.068 8.557 3.736 1.00 0.00 H new ATOM 0 HA GLN B 18 7.902 10.539 2.866 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.422 11.997 4.428 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.675 11.265 3.022 1.00 0.00 H new ATOM 0 HG2 GLN B 18 5.144 9.304 4.736 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.351 10.579 5.920 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.306 11.248 6.473 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.022 11.580 5.305 1.00 0.00 H new ATOM 1876 N LYS B 19 8.342 9.440 5.879 1.00 0.00 N ATOM 1877 CA LYS B 19 9.227 9.565 7.035 1.00 0.00 C ATOM 1878 C LYS B 19 10.661 9.812 6.578 1.00 0.00 C ATOM 1879 O LYS B 19 11.302 10.775 7.000 1.00 0.00 O ATOM 1880 CB LYS B 19 9.161 8.305 7.904 1.00 0.00 C ATOM 1881 CG LYS B 19 10.092 8.342 9.105 1.00 0.00 C ATOM 1882 CD LYS B 19 9.474 9.104 10.267 1.00 0.00 C ATOM 1883 CE LYS B 19 10.015 10.521 10.353 1.00 0.00 C ATOM 1884 NZ LYS B 19 9.092 11.425 11.094 1.00 0.00 N ATOM 0 H LYS B 19 7.761 8.602 5.868 1.00 0.00 H new ATOM 0 HA LYS B 19 8.895 10.415 7.631 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.137 8.168 8.253 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.407 7.438 7.291 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.324 7.324 9.418 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.034 8.811 8.822 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.391 9.133 10.149 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.679 8.578 11.199 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.986 10.509 10.848 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.174 10.910 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.498 12.382 11.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.173 11.457 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.960 11.068 12.062 1.00 0.00 H new ATOM 1898 N TYR B 20 11.145 8.959 5.681 1.00 0.00 N ATOM 1899 CA TYR B 20 12.483 9.110 5.130 1.00 0.00 C ATOM 1900 C TYR B 20 12.462 10.164 4.032 1.00 0.00 C ATOM 1901 O TYR B 20 13.373 10.981 3.903 1.00 0.00 O ATOM 1902 CB TYR B 20 13.002 7.774 4.594 1.00 0.00 C ATOM 1903 CG TYR B 20 13.991 7.101 5.519 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.557 6.356 6.610 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.361 7.211 5.305 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.458 5.741 7.458 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.267 6.597 6.149 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.810 5.864 7.224 1.00 0.00 C ATOM 1909 OH TYR B 20 16.710 5.252 8.067 1.00 0.00 O ATOM 0 H TYR B 20 10.629 8.156 5.321 1.00 0.00 H new ATOM 0 HA TYR B 20 13.161 9.434 5.920 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.158 7.105 4.427 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.475 7.938 3.626 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.498 6.256 6.798 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.723 7.786 4.465 1.00 0.00 H new ATOM 0 HE1 TYR B 20 14.104 5.166 8.301 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.328 6.691 5.968 1.00 0.00 H new ATOM 0 HH TYR B 20 17.623 5.436 7.761 1.00 0.00 H new ATOM 1919 N ALA B 21 11.393 10.117 3.244 1.00 0.00 N ATOM 1920 CA ALA B 21 11.188 11.035 2.133 1.00 0.00 C ATOM 1921 C ALA B 21 11.210 12.491 2.593 1.00 0.00 C ATOM 1922 O ALA B 21 11.523 13.392 1.814 1.00 0.00 O ATOM 1923 CB ALA B 21 9.864 10.706 1.458 1.00 0.00 C ATOM 0 H ALA B 21 10.642 9.437 3.360 1.00 0.00 H new ATOM 0 HA ALA B 21 12.006 10.913 1.423 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.701 11.389 0.624 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.889 9.681 1.088 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.052 10.813 2.178 1.00 0.00 H new ATOM 1929 N GLY B 22 10.870 12.718 3.857 1.00 0.00 N ATOM 1930 CA GLY B 22 10.854 14.067 4.390 1.00 0.00 C ATOM 1931 C GLY B 22 11.990 14.327 5.359 1.00 0.00 C ATOM 1932 O GLY B 22 12.749 13.418 5.696 1.00 0.00 O ATOM 0 H GLY B 22 10.605 11.991 4.522 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.914 14.779 3.567 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.904 14.242 4.895 1.00 0.00 H new ATOM 1936 N LYS B 23 12.106 15.573 5.809 1.00 0.00 N ATOM 1937 CA LYS B 23 13.157 15.954 6.745 1.00 0.00 C ATOM 1938 C LYS B 23 13.029 17.424 7.133 1.00 0.00 C ATOM 1939 O LYS B 23 13.224 17.789 8.293 1.00 0.00 O ATOM 1940 CB LYS B 23 14.535 15.695 6.133 1.00 0.00 C ATOM 1941 CG LYS B 23 15.611 15.399 7.164 1.00 0.00 C ATOM 1942 CD LYS B 23 15.881 16.603 8.053 1.00 0.00 C ATOM 1943 CE LYS B 23 17.367 16.791 8.304 1.00 0.00 C ATOM 1944 NZ LYS B 23 18.051 17.424 7.142 1.00 0.00 N ATOM 0 H LYS B 23 11.485 16.336 5.540 1.00 0.00 H new ATOM 0 HA LYS B 23 13.048 15.346 7.643 1.00 0.00 H new ATOM 0 HB2 LYS B 23 14.465 14.855 5.442 1.00 0.00 H new ATOM 0 HB3 LYS B 23 14.833 16.565 5.548 1.00 0.00 H new ATOM 0 HG2 LYS B 23 15.303 14.553 7.779 1.00 0.00 H new ATOM 0 HG3 LYS B 23 16.531 15.107 6.657 1.00 0.00 H new ATOM 0 HD2 LYS B 23 15.474 17.500 7.585 1.00 0.00 H new ATOM 0 HD3 LYS B 23 15.364 16.477 9.004 1.00 0.00 H new ATOM 0 HE2 LYS B 23 17.510 17.409 9.190 1.00 0.00 H new ATOM 0 HE3 LYS B 23 17.825 15.824 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 19.063 17.535 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 17.937 16.822 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 17.631 18.358 6.959 1.00 0.00 H new ATOM 1958 N ASP B 24 12.701 18.263 6.155 1.00 0.00 N ATOM 1959 CA ASP B 24 12.547 19.694 6.394 1.00 0.00 C ATOM 1960 C ASP B 24 11.075 20.092 6.379 1.00 0.00 C ATOM 1961 O ASP B 24 10.663 21.013 7.087 1.00 0.00 O ATOM 1962 CB ASP B 24 13.315 20.493 5.339 1.00 0.00 C ATOM 1963 CG ASP B 24 12.823 20.216 3.932 1.00 0.00 C ATOM 1964 OD1 ASP B 24 11.801 20.814 3.532 1.00 0.00 O ATOM 1965 OD2 ASP B 24 13.459 19.402 3.231 1.00 0.00 O ATOM 0 H ASP B 24 12.537 17.977 5.190 1.00 0.00 H new ATOM 0 HA ASP B 24 12.955 19.920 7.379 1.00 0.00 H new ATOM 0 HB2 ASP B 24 13.218 21.558 5.552 1.00 0.00 H new ATOM 0 HB3 ASP B 24 14.376 20.250 5.404 1.00 0.00 H new ATOM 1970 N GLY B 25 10.286 19.396 5.568 1.00 0.00 N ATOM 1971 CA GLY B 25 8.868 19.694 5.477 1.00 0.00 C ATOM 1972 C GLY B 25 8.089 18.600 4.772 1.00 0.00 C ATOM 1973 O GLY B 25 8.182 17.428 5.138 1.00 0.00 O ATOM 0 H GLY B 25 10.602 18.631 4.972 1.00 0.00 H new ATOM 0 HA2 GLY B 25 8.464 19.835 6.480 1.00 0.00 H new ATOM 0 HA3 GLY B 25 8.731 20.635 4.944 1.00 0.00 H new ATOM 1977 N HIS B 26 7.320 18.983 3.758 1.00 0.00 N ATOM 1978 CA HIS B 26 6.522 18.028 3.000 1.00 0.00 C ATOM 1979 C HIS B 26 7.194 17.687 1.674 1.00 0.00 C ATOM 1980 O HIS B 26 7.498 18.573 0.876 1.00 0.00 O ATOM 1981 CB HIS B 26 5.121 18.589 2.745 1.00 0.00 C ATOM 1982 CG HIS B 26 4.222 18.515 3.941 1.00 0.00 C ATOM 1983 ND1 HIS B 26 3.879 17.329 4.553 1.00 0.00 N ATOM 1984 CD2 HIS B 26 3.594 19.491 4.638 1.00 0.00 C ATOM 1985 CE1 HIS B 26 3.077 17.577 5.574 1.00 0.00 C ATOM 1986 NE2 HIS B 26 2.890 18.882 5.648 1.00 0.00 N ATOM 0 H HIS B 26 7.233 19.949 3.443 1.00 0.00 H new ATOM 0 HA HIS B 26 6.439 17.115 3.590 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.206 19.628 2.428 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.663 18.041 1.921 1.00 0.00 H new ATOM 0 HD2 HIS B 26 3.638 20.551 4.437 1.00 0.00 H new ATOM 0 HE1 HIS B 26 2.648 16.838 6.235 1.00 0.00 H new ATOM 0 HE2 HIS B 26 2.316 19.360 6.342 1.00 0.00 H new ATOM 1995 N SER B 27 7.424 16.398 1.448 1.00 0.00 N ATOM 1996 CA SER B 27 8.061 15.939 0.218 1.00 0.00 C ATOM 1997 C SER B 27 7.098 15.095 -0.611 1.00 0.00 C ATOM 1998 O SER B 27 6.103 14.585 -0.098 1.00 0.00 O ATOM 1999 CB SER B 27 9.319 15.131 0.541 1.00 0.00 C ATOM 2000 OG SER B 27 10.187 15.069 -0.576 1.00 0.00 O ATOM 0 H SER B 27 7.179 15.653 2.100 1.00 0.00 H new ATOM 0 HA SER B 27 8.342 16.816 -0.366 1.00 0.00 H new ATOM 0 HB2 SER B 27 9.839 15.584 1.385 1.00 0.00 H new ATOM 0 HB3 SER B 27 9.039 14.122 0.844 1.00 0.00 H new ATOM 0 HG SER B 27 10.316 14.134 -0.839 1.00 0.00 H new ATOM 2006 N VAL B 28 7.403 14.952 -1.896 1.00 0.00 N ATOM 2007 CA VAL B 28 6.567 14.169 -2.798 1.00 0.00 C ATOM 2008 C VAL B 28 7.250 12.863 -3.200 1.00 0.00 C ATOM 2009 O VAL B 28 6.595 11.923 -3.652 1.00 0.00 O ATOM 2010 CB VAL B 28 6.212 14.970 -4.069 1.00 0.00 C ATOM 2011 CG1 VAL B 28 7.466 15.305 -4.865 1.00 0.00 C ATOM 2012 CG2 VAL B 28 5.212 14.203 -4.924 1.00 0.00 C ATOM 0 H VAL B 28 8.223 15.368 -2.336 1.00 0.00 H new ATOM 0 HA VAL B 28 5.651 13.936 -2.256 1.00 0.00 H new ATOM 0 HB VAL B 28 5.748 15.908 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL B 28 7.191 15.869 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.139 15.903 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.967 14.383 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL B 28 4.974 14.784 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.644 13.246 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL B 28 4.301 14.029 -4.351 1.00 0.00 H new ATOM 2022 N THR B 29 8.569 12.810 -3.031 1.00 0.00 N ATOM 2023 CA THR B 29 9.337 11.621 -3.374 1.00 0.00 C ATOM 2024 C THR B 29 10.246 11.215 -2.220 1.00 0.00 C ATOM 2025 O THR B 29 10.221 11.828 -1.152 1.00 0.00 O ATOM 2026 CB THR B 29 10.166 11.869 -4.633 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.612 13.212 -4.683 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.407 11.586 -5.912 1.00 0.00 C ATOM 0 H THR B 29 9.127 13.578 -2.658 1.00 0.00 H new ATOM 0 HA THR B 29 8.638 10.807 -3.567 1.00 0.00 H new ATOM 0 HB THR B 29 11.007 11.178 -4.568 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.142 13.351 -5.495 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.052 11.782 -6.769 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.093 10.542 -5.925 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.529 12.230 -5.964 1.00 0.00 H new ATOM 2036 N LEU B 30 11.045 10.179 -2.440 1.00 0.00 N ATOM 2037 CA LEU B 30 11.961 9.689 -1.417 1.00 0.00 C ATOM 2038 C LEU B 30 13.326 9.349 -2.034 1.00 0.00 C ATOM 2039 O LEU B 30 13.950 10.203 -2.657 1.00 0.00 O ATOM 2040 CB LEU B 30 11.344 8.471 -0.711 1.00 0.00 C ATOM 2041 CG LEU B 30 11.861 8.180 0.708 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.843 6.686 0.979 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.263 8.738 0.916 1.00 0.00 C ATOM 0 H LEU B 30 11.078 9.661 -3.318 1.00 0.00 H new ATOM 0 HA LEU B 30 12.124 10.470 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.265 8.614 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.521 7.590 -1.328 1.00 0.00 H new ATOM 0 HG LEU B 30 11.196 8.678 1.414 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.211 6.495 1.987 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.823 6.312 0.888 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.481 6.177 0.257 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.597 8.514 1.929 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.946 8.282 0.200 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.250 9.818 0.768 1.00 0.00 H new ATOM 2055 N SER B 31 13.780 8.104 -1.870 1.00 0.00 N ATOM 2056 CA SER B 31 15.054 7.665 -2.422 1.00 0.00 C ATOM 2057 C SER B 31 15.292 6.202 -2.071 1.00 0.00 C ATOM 2058 O SER B 31 15.192 5.809 -0.909 1.00 0.00 O ATOM 2059 CB SER B 31 16.201 8.532 -1.896 1.00 0.00 C ATOM 2060 OG SER B 31 17.412 8.250 -2.579 1.00 0.00 O ATOM 0 H SER B 31 13.277 7.381 -1.355 1.00 0.00 H new ATOM 0 HA SER B 31 15.019 7.770 -3.506 1.00 0.00 H new ATOM 0 HB2 SER B 31 15.949 9.586 -2.017 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.333 8.356 -0.828 1.00 0.00 H new ATOM 0 HG SER B 31 18.085 8.921 -2.342 1.00 0.00 H new ATOM 2066 N LYS B 32 15.589 5.393 -3.082 1.00 0.00 N ATOM 2067 CA LYS B 32 15.821 3.966 -2.877 1.00 0.00 C ATOM 2068 C LYS B 32 16.813 3.724 -1.739 1.00 0.00 C ATOM 2069 O LYS B 32 16.630 2.819 -0.927 1.00 0.00 O ATOM 2070 CB LYS B 32 16.336 3.324 -4.165 1.00 0.00 C ATOM 2071 CG LYS B 32 17.457 4.108 -4.831 1.00 0.00 C ATOM 2072 CD LYS B 32 17.089 4.526 -6.245 1.00 0.00 C ATOM 2073 CE LYS B 32 17.786 5.817 -6.641 1.00 0.00 C ATOM 2074 NZ LYS B 32 19.180 5.576 -7.104 1.00 0.00 N ATOM 0 H LYS B 32 15.675 5.700 -4.051 1.00 0.00 H new ATOM 0 HA LYS B 32 14.871 3.508 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.690 2.317 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.508 3.223 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.684 4.994 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.361 3.500 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS B 32 17.362 3.734 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.009 4.657 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.220 6.307 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS B 32 17.799 6.498 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 19.621 6.481 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 19.728 5.132 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 19.167 4.946 -7.932 1.00 0.00 H new ATOM 2088 N THR B 33 17.856 4.548 -1.686 1.00 0.00 N ATOM 2089 CA THR B 33 18.879 4.436 -0.649 1.00 0.00 C ATOM 2090 C THR B 33 18.274 4.658 0.731 1.00 0.00 C ATOM 2091 O THR B 33 18.564 3.925 1.675 1.00 0.00 O ATOM 2092 CB THR B 33 19.973 5.457 -0.889 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.929 5.437 0.156 1.00 0.00 O ATOM 2094 CG2 THR B 33 19.417 6.843 -0.986 1.00 0.00 C ATOM 0 H THR B 33 18.016 5.304 -2.352 1.00 0.00 H new ATOM 0 HA THR B 33 19.300 3.431 -0.691 1.00 0.00 H new ATOM 0 HB THR B 33 20.448 5.187 -1.832 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.624 6.104 -0.024 1.00 0.00 H new ATOM 0 HG21 THR B 33 20.229 7.550 -1.158 1.00 0.00 H new ATOM 0 HG22 THR B 33 18.710 6.894 -1.814 1.00 0.00 H new ATOM 0 HG23 THR B 33 18.907 7.096 -0.057 1.00 0.00 H new ATOM 2102 N GLU B 34 17.414 5.665 0.842 1.00 0.00 N ATOM 2103 CA GLU B 34 16.761 5.948 2.109 1.00 0.00 C ATOM 2104 C GLU B 34 15.928 4.744 2.508 1.00 0.00 C ATOM 2105 O GLU B 34 15.857 4.377 3.681 1.00 0.00 O ATOM 2106 CB GLU B 34 15.903 7.202 1.999 1.00 0.00 C ATOM 2107 CG GLU B 34 16.694 8.472 2.245 1.00 0.00 C ATOM 2108 CD GLU B 34 15.816 9.657 2.594 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.344 10.341 1.661 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.601 9.904 3.800 1.00 0.00 O ATOM 0 H GLU B 34 17.157 6.290 0.078 1.00 0.00 H new ATOM 0 HA GLU B 34 17.510 6.134 2.879 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.454 7.245 1.007 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.085 7.143 2.717 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.403 8.301 3.055 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.277 8.708 1.355 1.00 0.00 H new ATOM 2117 N PHE B 35 15.350 4.099 1.502 1.00 0.00 N ATOM 2118 CA PHE B 35 14.576 2.892 1.716 1.00 0.00 C ATOM 2119 C PHE B 35 15.544 1.752 2.001 1.00 0.00 C ATOM 2120 O PHE B 35 15.233 0.815 2.736 1.00 0.00 O ATOM 2121 CB PHE B 35 13.728 2.573 0.481 1.00 0.00 C ATOM 2122 CG PHE B 35 12.445 1.850 0.787 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.384 0.901 1.798 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.299 2.116 0.057 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.207 0.236 2.073 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.118 1.451 0.329 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.074 0.511 1.337 1.00 0.00 C ATOM 0 H PHE B 35 15.406 4.397 0.528 1.00 0.00 H new ATOM 0 HA PHE B 35 13.899 3.029 2.559 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.494 3.504 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.319 1.967 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.269 0.680 2.377 1.00 0.00 H new ATOM 0 HD2 PHE B 35 11.328 2.851 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE B 35 11.173 -0.499 2.864 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.231 1.667 -0.247 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.152 -0.010 1.550 1.00 0.00 H new ATOM 2137 N LEU B 36 16.744 1.856 1.425 1.00 0.00 N ATOM 2138 CA LEU B 36 17.778 0.852 1.627 1.00 0.00 C ATOM 2139 C LEU B 36 18.082 0.715 3.108 1.00 0.00 C ATOM 2140 O LEU B 36 17.931 -0.354 3.700 1.00 0.00 O ATOM 2141 CB LEU B 36 19.047 1.281 0.900 1.00 0.00 C ATOM 2142 CG LEU B 36 19.424 0.454 -0.322 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.409 1.328 -1.567 1.00 0.00 C ATOM 2144 CD2 LEU B 36 20.791 -0.174 -0.116 1.00 0.00 C ATOM 0 H LEU B 36 17.018 2.627 0.816 1.00 0.00 H new ATOM 0 HA LEU B 36 17.428 -0.104 1.237 1.00 0.00 H new ATOM 0 HB2 LEU B 36 18.932 2.320 0.591 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.876 1.249 1.607 1.00 0.00 H new ATOM 0 HG LEU B 36 18.695 -0.345 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.680 0.728 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU B 36 18.411 1.742 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU B 36 20.126 2.141 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU B 36 21.056 -0.765 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU B 36 21.533 0.610 0.031 1.00 0.00 H new ATOM 0 HD23 LEU B 36 20.766 -0.819 0.762 1.00 0.00 H new ATOM 2156 N SER B 37 18.502 1.825 3.696 1.00 0.00 N ATOM 2157 CA SER B 37 18.825 1.867 5.116 1.00 0.00 C ATOM 2158 C SER B 37 17.580 1.584 5.954 1.00 0.00 C ATOM 2159 O SER B 37 17.639 0.862 6.949 1.00 0.00 O ATOM 2160 CB SER B 37 19.408 3.231 5.491 1.00 0.00 C ATOM 2161 OG SER B 37 18.796 4.270 4.747 1.00 0.00 O ATOM 0 H SER B 37 18.628 2.713 3.210 1.00 0.00 H new ATOM 0 HA SER B 37 19.570 1.098 5.321 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.265 3.410 6.557 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.483 3.233 5.308 1.00 0.00 H new ATOM 0 HG SER B 37 17.850 4.057 4.605 1.00 0.00 H new ATOM 2167 N PHE B 38 16.453 2.156 5.536 1.00 0.00 N ATOM 2168 CA PHE B 38 15.189 1.964 6.238 1.00 0.00 C ATOM 2169 C PHE B 38 14.814 0.485 6.265 1.00 0.00 C ATOM 2170 O PHE B 38 14.411 -0.046 7.300 1.00 0.00 O ATOM 2171 CB PHE B 38 14.082 2.782 5.559 1.00 0.00 C ATOM 2172 CG PHE B 38 12.693 2.460 6.045 1.00 0.00 C ATOM 2173 CD1 PHE B 38 12.035 1.324 5.600 1.00 0.00 C ATOM 2174 CD2 PHE B 38 12.048 3.295 6.943 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.759 1.028 6.043 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.772 3.004 7.388 1.00 0.00 C ATOM 2177 CZ PHE B 38 10.128 1.868 6.937 1.00 0.00 C ATOM 0 H PHE B 38 16.391 2.756 4.714 1.00 0.00 H new ATOM 0 HA PHE B 38 15.303 2.309 7.266 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.276 3.842 5.723 1.00 0.00 H new ATOM 0 HB3 PHE B 38 14.127 2.612 4.483 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.524 0.663 4.900 1.00 0.00 H new ATOM 0 HD2 PHE B 38 12.548 4.184 7.299 1.00 0.00 H new ATOM 0 HE1 PHE B 38 10.257 0.140 5.689 1.00 0.00 H new ATOM 0 HE2 PHE B 38 10.279 3.664 8.087 1.00 0.00 H new ATOM 0 HZ PHE B 38 9.132 1.638 7.284 1.00 0.00 H new ATOM 2187 N MET B 39 14.952 -0.173 5.120 1.00 0.00 N ATOM 2188 CA MET B 39 14.632 -1.590 5.007 1.00 0.00 C ATOM 2189 C MET B 39 15.531 -2.423 5.915 1.00 0.00 C ATOM 2190 O MET B 39 15.126 -3.469 6.417 1.00 0.00 O ATOM 2191 CB MET B 39 14.782 -2.051 3.554 1.00 0.00 C ATOM 2192 CG MET B 39 14.595 -3.551 3.367 1.00 0.00 C ATOM 2193 SD MET B 39 13.162 -3.955 2.351 1.00 0.00 S ATOM 2194 CE MET B 39 11.875 -3.046 3.204 1.00 0.00 C ATOM 0 H MET B 39 15.284 0.254 4.255 1.00 0.00 H new ATOM 0 HA MET B 39 13.598 -1.733 5.321 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.055 -1.523 2.937 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.771 -1.769 3.192 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.490 -3.970 2.907 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.487 -4.024 4.343 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.237 -2.547 2.474 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.276 -3.735 3.799 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.328 -2.302 3.859 1.00 0.00 H new ATOM 2204 N ASN B 40 16.755 -1.951 6.117 1.00 0.00 N ATOM 2205 CA ASN B 40 17.712 -2.650 6.964 1.00 0.00 C ATOM 2206 C ASN B 40 17.352 -2.507 8.439 1.00 0.00 C ATOM 2207 O ASN B 40 17.808 -3.284 9.277 1.00 0.00 O ATOM 2208 CB ASN B 40 19.125 -2.116 6.717 1.00 0.00 C ATOM 2209 CG ASN B 40 19.831 -2.848 5.592 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.090 -4.048 5.684 1.00 0.00 O ATOM 2211 ND2 ASN B 40 20.147 -2.129 4.521 1.00 0.00 N ATOM 0 H ASN B 40 17.108 -1.087 5.706 1.00 0.00 H new ATOM 0 HA ASN B 40 17.677 -3.709 6.707 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.073 -1.054 6.479 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.711 -2.209 7.631 1.00 0.00 H new ATOM 0 HD21 ASN B 40 20.623 -2.569 3.733 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.914 -1.137 4.486 1.00 0.00 H new ATOM 2218 N THR B 41 16.542 -1.499 8.755 1.00 0.00 N ATOM 2219 CA THR B 41 16.138 -1.245 10.132 1.00 0.00 C ATOM 2220 C THR B 41 14.644 -1.483 10.337 1.00 0.00 C ATOM 2221 O THR B 41 14.231 -2.515 10.868 1.00 0.00 O ATOM 2222 CB THR B 41 16.482 0.194 10.514 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.344 1.053 9.396 1.00 0.00 O ATOM 2224 CG2 THR B 41 17.887 0.354 11.042 1.00 0.00 C ATOM 0 H THR B 41 16.154 -0.846 8.075 1.00 0.00 H new ATOM 0 HA THR B 41 16.681 -1.942 10.771 1.00 0.00 H new ATOM 0 HB THR B 41 15.782 0.458 11.307 1.00 0.00 H new ATOM 0 HG1 THR B 41 17.025 0.831 8.727 1.00 0.00 H new ATOM 0 HG21 THR B 41 18.064 1.400 11.294 1.00 0.00 H new ATOM 0 HG22 THR B 41 18.013 -0.260 11.934 1.00 0.00 H new ATOM 0 HG23 THR B 41 18.600 0.038 10.280 1.00 0.00 H new ATOM 2232 N GLU B 42 13.843 -0.504 9.933 1.00 0.00 N ATOM 2233 CA GLU B 42 12.392 -0.572 10.085 1.00 0.00 C ATOM 2234 C GLU B 42 11.811 -1.864 9.513 1.00 0.00 C ATOM 2235 O GLU B 42 10.780 -2.348 9.982 1.00 0.00 O ATOM 2236 CB GLU B 42 11.740 0.638 9.413 1.00 0.00 C ATOM 2237 CG GLU B 42 12.271 1.968 9.923 1.00 0.00 C ATOM 2238 CD GLU B 42 11.166 2.911 10.358 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.201 2.440 10.997 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.266 4.120 10.062 1.00 0.00 O ATOM 0 H GLU B 42 14.176 0.354 9.494 1.00 0.00 H new ATOM 0 HA GLU B 42 12.174 -0.562 11.153 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.903 0.578 8.337 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.663 0.598 9.575 1.00 0.00 H new ATOM 0 HG2 GLU B 42 12.942 1.789 10.763 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.861 2.443 9.140 1.00 0.00 H new ATOM 2247 N LEU B 43 12.468 -2.421 8.503 1.00 0.00 N ATOM 2248 CA LEU B 43 12.001 -3.655 7.882 1.00 0.00 C ATOM 2249 C LEU B 43 13.132 -4.667 7.773 1.00 0.00 C ATOM 2250 O LEU B 43 13.372 -5.239 6.709 1.00 0.00 O ATOM 2251 CB LEU B 43 11.412 -3.367 6.500 1.00 0.00 C ATOM 2252 CG LEU B 43 10.020 -2.734 6.514 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.599 -2.337 5.108 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.008 -3.689 7.130 1.00 0.00 C ATOM 0 H LEU B 43 13.323 -2.040 8.097 1.00 0.00 H new ATOM 0 HA LEU B 43 11.221 -4.080 8.514 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.091 -2.705 5.962 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.365 -4.300 5.939 1.00 0.00 H new ATOM 0 HG LEU B 43 10.057 -1.832 7.125 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.606 -1.888 5.139 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.311 -1.616 4.705 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.578 -3.221 4.471 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.023 -3.223 7.132 1.00 0.00 H new ATOM 0 HD22 LEU B 43 8.973 -4.609 6.546 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.302 -3.920 8.154 1.00 0.00 H new ATOM 2266 N ALA B 44 13.823 -4.885 8.884 1.00 0.00 N ATOM 2267 CA ALA B 44 14.931 -5.828 8.925 1.00 0.00 C ATOM 2268 C ALA B 44 14.421 -7.260 9.032 1.00 0.00 C ATOM 2269 O ALA B 44 15.072 -8.198 8.574 1.00 0.00 O ATOM 2270 CB ALA B 44 15.851 -5.500 10.090 1.00 0.00 C ATOM 0 H ALA B 44 13.634 -4.419 9.772 1.00 0.00 H new ATOM 0 HA ALA B 44 15.495 -5.741 7.996 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.677 -6.211 10.113 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.244 -4.490 9.970 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.292 -5.563 11.024 1.00 0.00 H new ATOM 2276 N ALA B 45 13.248 -7.418 9.636 1.00 0.00 N ATOM 2277 CA ALA B 45 12.643 -8.734 9.800 1.00 0.00 C ATOM 2278 C ALA B 45 12.351 -9.376 8.447 1.00 0.00 C ATOM 2279 O ALA B 45 12.276 -10.599 8.334 1.00 0.00 O ATOM 2280 CB ALA B 45 11.370 -8.626 10.625 1.00 0.00 C ATOM 0 H ALA B 45 12.697 -6.650 10.020 1.00 0.00 H new ATOM 0 HA ALA B 45 13.351 -9.373 10.328 1.00 0.00 H new ATOM 0 HB1 ALA B 45 10.927 -9.615 10.741 1.00 0.00 H new ATOM 0 HB2 ALA B 45 11.607 -8.217 11.607 1.00 0.00 H new ATOM 0 HB3 ALA B 45 10.663 -7.969 10.119 1.00 0.00 H new ATOM 2286 N PHE B 46 12.187 -8.544 7.422 1.00 0.00 N ATOM 2287 CA PHE B 46 11.903 -9.033 6.078 1.00 0.00 C ATOM 2288 C PHE B 46 13.156 -8.995 5.207 1.00 0.00 C ATOM 2289 O PHE B 46 13.070 -8.875 3.985 1.00 0.00 O ATOM 2290 CB PHE B 46 10.796 -8.198 5.432 1.00 0.00 C ATOM 2291 CG PHE B 46 9.460 -8.352 6.099 1.00 0.00 C ATOM 2292 CD1 PHE B 46 8.887 -9.605 6.251 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.777 -7.244 6.575 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.657 -9.749 6.864 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.546 -7.383 7.189 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.986 -8.638 7.334 1.00 0.00 C ATOM 0 H PHE B 46 12.246 -7.529 7.497 1.00 0.00 H new ATOM 0 HA PHE B 46 11.570 -10.068 6.159 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.085 -7.147 5.454 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.704 -8.481 4.383 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.408 -10.478 5.886 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.211 -6.261 6.465 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.221 -10.731 6.975 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.023 -6.512 7.555 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.025 -8.749 7.814 1.00 0.00 H new ATOM 2306 N THR B 47 14.320 -9.097 5.843 1.00 0.00 N ATOM 2307 CA THR B 47 15.588 -9.072 5.122 1.00 0.00 C ATOM 2308 C THR B 47 16.653 -9.887 5.851 1.00 0.00 C ATOM 2309 O THR B 47 17.403 -10.640 5.231 1.00 0.00 O ATOM 2310 CB THR B 47 16.069 -7.630 4.943 1.00 0.00 C ATOM 2311 OG1 THR B 47 16.359 -7.040 6.197 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.062 -6.745 4.241 1.00 0.00 C ATOM 0 H THR B 47 14.411 -9.198 6.854 1.00 0.00 H new ATOM 0 HA THR B 47 15.424 -9.520 4.142 1.00 0.00 H new ATOM 0 HB THR B 47 16.962 -7.698 4.322 1.00 0.00 H new ATOM 0 HG1 THR B 47 15.810 -7.461 6.891 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.466 -5.737 4.147 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.854 -7.146 3.249 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.139 -6.713 4.820 1.00 0.00 H new ATOM 2320 N LYS B 48 16.717 -9.729 7.171 1.00 0.00 N ATOM 2321 CA LYS B 48 17.694 -10.446 7.986 1.00 0.00 C ATOM 2322 C LYS B 48 17.708 -11.938 7.655 1.00 0.00 C ATOM 2323 O LYS B 48 18.580 -12.411 6.926 1.00 0.00 O ATOM 2324 CB LYS B 48 17.391 -10.244 9.474 1.00 0.00 C ATOM 2325 CG LYS B 48 17.710 -8.846 9.976 1.00 0.00 C ATOM 2326 CD LYS B 48 17.336 -8.680 11.440 1.00 0.00 C ATOM 2327 CE LYS B 48 15.852 -8.914 11.669 1.00 0.00 C ATOM 2328 NZ LYS B 48 15.588 -10.251 12.272 1.00 0.00 N ATOM 0 H LYS B 48 16.103 -9.110 7.700 1.00 0.00 H new ATOM 0 HA LYS B 48 18.680 -10.040 7.760 1.00 0.00 H new ATOM 0 HB2 LYS B 48 16.336 -10.453 9.653 1.00 0.00 H new ATOM 0 HB3 LYS B 48 17.963 -10.968 10.054 1.00 0.00 H new ATOM 0 HG2 LYS B 48 18.774 -8.646 9.846 1.00 0.00 H new ATOM 0 HG3 LYS B 48 17.172 -8.112 9.377 1.00 0.00 H new ATOM 0 HD2 LYS B 48 17.913 -9.380 12.045 1.00 0.00 H new ATOM 0 HD3 LYS B 48 17.602 -7.677 11.772 1.00 0.00 H new ATOM 0 HE2 LYS B 48 15.458 -8.136 12.323 1.00 0.00 H new ATOM 0 HE3 LYS B 48 15.321 -8.832 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 14.570 -10.458 12.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 16.113 -10.979 11.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 15.897 -10.251 13.265 1.00 0.00 H new ATOM 2342 N ASN B 49 16.741 -12.673 8.194 1.00 0.00 N ATOM 2343 CA ASN B 49 16.650 -14.109 7.955 1.00 0.00 C ATOM 2344 C ASN B 49 15.498 -14.434 7.009 1.00 0.00 C ATOM 2345 O ASN B 49 14.431 -14.869 7.442 1.00 0.00 O ATOM 2346 CB ASN B 49 16.464 -14.856 9.277 1.00 0.00 C ATOM 2347 CG ASN B 49 17.767 -15.028 10.033 1.00 0.00 C ATOM 2348 OD1 ASN B 49 18.312 -14.070 10.581 1.00 0.00 O ATOM 2349 ND2 ASN B 49 18.275 -16.255 10.066 1.00 0.00 N ATOM 0 H ASN B 49 16.010 -12.299 8.799 1.00 0.00 H new ATOM 0 HA ASN B 49 17.581 -14.433 7.489 1.00 0.00 H new ATOM 0 HB2 ASN B 49 15.754 -14.313 9.901 1.00 0.00 H new ATOM 0 HB3 ASN B 49 16.030 -15.836 9.079 1.00 0.00 H new ATOM 0 HD21 ASN B 49 19.150 -16.432 10.559 1.00 0.00 H new ATOM 0 HD22 ASN B 49 17.790 -17.021 9.598 1.00 0.00 H new ATOM 2356 N GLN B 50 15.721 -14.220 5.717 1.00 0.00 N ATOM 2357 CA GLN B 50 14.701 -14.493 4.711 1.00 0.00 C ATOM 2358 C GLN B 50 15.160 -15.587 3.751 1.00 0.00 C ATOM 2359 O GLN B 50 16.321 -15.624 3.347 1.00 0.00 O ATOM 2360 CB GLN B 50 14.370 -13.219 3.929 1.00 0.00 C ATOM 2361 CG GLN B 50 13.834 -12.088 4.794 1.00 0.00 C ATOM 2362 CD GLN B 50 12.768 -12.550 5.769 1.00 0.00 C ATOM 2363 OE1 GLN B 50 13.137 -12.652 7.039 1.00 0.00 O flip ATOM 2364 NE2 GLN B 50 11.629 -12.811 5.386 1.00 0.00 N flip ATOM 0 H GLN B 50 16.598 -13.859 5.342 1.00 0.00 H new ATOM 0 HA GLN B 50 13.805 -14.839 5.226 1.00 0.00 H new ATOM 0 HB2 GLN B 50 15.268 -12.876 3.415 1.00 0.00 H new ATOM 0 HB3 GLN B 50 13.634 -13.456 3.161 1.00 0.00 H new ATOM 0 HG2 GLN B 50 14.658 -11.639 5.349 1.00 0.00 H new ATOM 0 HG3 GLN B 50 13.421 -11.310 4.152 1.00 0.00 H new ATOM 0 HE21 GLN B 50 11.389 -12.718 4.399 1.00 0.00 H new ATOM 0 HE22 GLN B 50 10.924 -13.120 6.055 1.00 0.00 H new ATOM 2373 N LYS B 51 14.238 -16.474 3.391 1.00 0.00 N ATOM 2374 CA LYS B 51 14.547 -17.570 2.479 1.00 0.00 C ATOM 2375 C LYS B 51 14.296 -17.158 1.031 1.00 0.00 C ATOM 2376 O LYS B 51 14.971 -17.630 0.116 1.00 0.00 O ATOM 2377 CB LYS B 51 13.706 -18.800 2.823 1.00 0.00 C ATOM 2378 CG LYS B 51 13.921 -19.308 4.240 1.00 0.00 C ATOM 2379 CD LYS B 51 14.027 -20.823 4.281 1.00 0.00 C ATOM 2380 CE LYS B 51 15.309 -21.309 3.625 1.00 0.00 C ATOM 2381 NZ LYS B 51 15.216 -22.736 3.211 1.00 0.00 N ATOM 0 H LYS B 51 13.271 -16.456 3.716 1.00 0.00 H new ATOM 0 HA LYS B 51 15.603 -17.817 2.591 1.00 0.00 H new ATOM 0 HB2 LYS B 51 12.652 -18.558 2.689 1.00 0.00 H new ATOM 0 HB3 LYS B 51 13.942 -19.599 2.120 1.00 0.00 H new ATOM 0 HG2 LYS B 51 14.830 -18.868 4.651 1.00 0.00 H new ATOM 0 HG3 LYS B 51 13.095 -18.983 4.873 1.00 0.00 H new ATOM 0 HD2 LYS B 51 13.995 -21.163 5.316 1.00 0.00 H new ATOM 0 HD3 LYS B 51 13.168 -21.263 3.774 1.00 0.00 H new ATOM 0 HE2 LYS B 51 15.527 -20.692 2.753 1.00 0.00 H new ATOM 0 HE3 LYS B 51 16.141 -21.186 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 16.111 -23.028 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 15.033 -23.329 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 14.439 -22.850 2.529 1.00 0.00 H new ATOM 2395 N ASP B 52 13.320 -16.278 0.831 1.00 0.00 N ATOM 2396 CA ASP B 52 12.978 -15.804 -0.505 1.00 0.00 C ATOM 2397 C ASP B 52 13.895 -14.656 -0.929 1.00 0.00 C ATOM 2398 O ASP B 52 13.813 -13.557 -0.380 1.00 0.00 O ATOM 2399 CB ASP B 52 11.520 -15.343 -0.543 1.00 0.00 C ATOM 2400 CG ASP B 52 10.833 -15.707 -1.844 1.00 0.00 C ATOM 2401 OD1 ASP B 52 11.333 -15.302 -2.914 1.00 0.00 O ATOM 2402 OD2 ASP B 52 9.793 -16.398 -1.793 1.00 0.00 O ATOM 0 H ASP B 52 12.752 -15.879 1.578 1.00 0.00 H new ATOM 0 HA ASP B 52 13.113 -16.630 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP B 52 10.978 -15.792 0.289 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.480 -14.263 -0.404 1.00 0.00 H new ATOM 2407 N PRO B 53 14.784 -14.890 -1.914 1.00 0.00 N ATOM 2408 CA PRO B 53 15.711 -13.873 -2.403 1.00 0.00 C ATOM 2409 C PRO B 53 15.091 -12.981 -3.478 1.00 0.00 C ATOM 2410 O PRO B 53 15.806 -12.331 -4.242 1.00 0.00 O ATOM 2411 CB PRO B 53 16.869 -14.693 -2.997 1.00 0.00 C ATOM 2412 CG PRO B 53 16.441 -16.132 -2.954 1.00 0.00 C ATOM 2413 CD PRO B 53 14.972 -16.152 -2.631 1.00 0.00 C ATOM 0 HA PRO B 53 16.014 -13.192 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO B 53 17.079 -14.382 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO B 53 17.784 -14.543 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO B 53 16.631 -16.618 -3.911 1.00 0.00 H new ATOM 0 HG3 PRO B 53 17.008 -16.679 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO B 53 14.360 -16.201 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO B 53 14.704 -17.011 -2.016 1.00 0.00 H new ATOM 2421 N GLY B 54 13.762 -12.949 -3.534 1.00 0.00 N ATOM 2422 CA GLY B 54 13.080 -12.131 -4.519 1.00 0.00 C ATOM 2423 C GLY B 54 12.128 -11.131 -3.890 1.00 0.00 C ATOM 2424 O GLY B 54 11.281 -10.559 -4.575 1.00 0.00 O ATOM 0 H GLY B 54 13.146 -13.475 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY B 54 13.819 -11.597 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY B 54 12.525 -12.776 -5.200 1.00 0.00 H new ATOM 2428 N VAL B 55 12.263 -10.922 -2.584 1.00 0.00 N ATOM 2429 CA VAL B 55 11.408 -9.986 -1.865 1.00 0.00 C ATOM 2430 C VAL B 55 11.937 -8.561 -1.979 1.00 0.00 C ATOM 2431 O VAL B 55 11.264 -7.675 -2.504 1.00 0.00 O ATOM 2432 CB VAL B 55 11.297 -10.361 -0.375 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.302 -9.455 0.335 1.00 0.00 C ATOM 2434 CG2 VAL B 55 10.906 -11.821 -0.219 1.00 0.00 C ATOM 0 H VAL B 55 12.958 -11.390 -2.002 1.00 0.00 H new ATOM 0 HA VAL B 55 10.420 -10.042 -2.323 1.00 0.00 H new ATOM 0 HB VAL B 55 12.274 -10.219 0.088 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.239 -9.737 1.386 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.633 -8.419 0.256 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.321 -9.559 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL B 55 10.833 -12.067 0.840 1.00 0.00 H new ATOM 0 HG22 VAL B 55 9.943 -11.993 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL B 55 11.662 -12.452 -0.686 1.00 0.00 H new ATOM 2444 N LEU B 56 13.149 -8.351 -1.477 1.00 0.00 N ATOM 2445 CA LEU B 56 13.779 -7.040 -1.511 1.00 0.00 C ATOM 2446 C LEU B 56 14.116 -6.632 -2.943 1.00 0.00 C ATOM 2447 O LEU B 56 13.771 -5.540 -3.387 1.00 0.00 O ATOM 2448 CB LEU B 56 15.041 -7.073 -0.646 1.00 0.00 C ATOM 2449 CG LEU B 56 16.094 -6.008 -0.946 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.668 -4.662 -0.383 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.433 -6.434 -0.373 1.00 0.00 C ATOM 0 H LEU B 56 13.716 -9.078 -1.040 1.00 0.00 H new ATOM 0 HA LEU B 56 13.086 -6.298 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.743 -6.975 0.398 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.505 -8.053 -0.755 1.00 0.00 H new ATOM 0 HG LEU B 56 16.194 -5.902 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.431 -3.916 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.723 -4.361 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.544 -4.742 0.697 1.00 0.00 H new ATOM 0 HD21 LEU B 56 18.181 -5.671 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.344 -6.559 0.706 1.00 0.00 H new ATOM 0 HD23 LEU B 56 17.738 -7.379 -0.823 1.00 0.00 H new ATOM 2463 N ASP B 57 14.794 -7.519 -3.659 1.00 0.00 N ATOM 2464 CA ASP B 57 15.184 -7.258 -5.039 1.00 0.00 C ATOM 2465 C ASP B 57 13.973 -6.911 -5.902 1.00 0.00 C ATOM 2466 O ASP B 57 14.095 -6.206 -6.903 1.00 0.00 O ATOM 2467 CB ASP B 57 15.908 -8.474 -5.620 1.00 0.00 C ATOM 2468 CG ASP B 57 17.032 -8.084 -6.557 1.00 0.00 C ATOM 2469 OD1 ASP B 57 17.023 -6.937 -7.052 1.00 0.00 O ATOM 2470 OD2 ASP B 57 17.925 -8.925 -6.798 1.00 0.00 O ATOM 0 H ASP B 57 15.087 -8.430 -3.305 1.00 0.00 H new ATOM 0 HA ASP B 57 15.858 -6.401 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.310 -9.077 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP B 57 15.192 -9.098 -6.155 1.00 0.00 H new ATOM 2475 N ARG B 58 12.805 -7.410 -5.508 1.00 0.00 N ATOM 2476 CA ARG B 58 11.577 -7.151 -6.251 1.00 0.00 C ATOM 2477 C ARG B 58 11.257 -5.659 -6.276 1.00 0.00 C ATOM 2478 O ARG B 58 10.996 -5.088 -7.335 1.00 0.00 O ATOM 2479 CB ARG B 58 10.408 -7.922 -5.634 1.00 0.00 C ATOM 2480 CG ARG B 58 9.792 -8.946 -6.574 1.00 0.00 C ATOM 2481 CD ARG B 58 8.320 -9.170 -6.268 1.00 0.00 C ATOM 2482 NE ARG B 58 7.454 -8.341 -7.103 1.00 0.00 N ATOM 2483 CZ ARG B 58 7.169 -8.613 -8.376 1.00 0.00 C ATOM 2484 NH1 ARG B 58 7.680 -9.689 -8.961 1.00 0.00 N ATOM 2485 NH2 ARG B 58 6.370 -7.808 -9.063 1.00 0.00 N ATOM 0 H ARG B 58 12.684 -7.994 -4.681 1.00 0.00 H new ATOM 0 HA ARG B 58 11.728 -7.490 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.753 -8.429 -4.733 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.638 -7.214 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG B 58 9.903 -8.608 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG B 58 10.330 -9.890 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG B 58 8.074 -10.221 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG B 58 8.130 -8.949 -5.218 1.00 0.00 H new ATOM 0 HE ARG B 58 7.043 -7.505 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG B 58 8.294 -10.312 -8.436 1.00 0.00 H new ATOM 0 HH12 ARG B 58 7.459 -9.893 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG B 58 5.974 -6.981 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG B 58 6.152 -8.016 -10.037 1.00 0.00 H new ATOM 2498 N MET B 59 11.270 -5.034 -5.103 1.00 0.00 N ATOM 2499 CA MET B 59 10.971 -3.610 -4.995 1.00 0.00 C ATOM 2500 C MET B 59 11.907 -2.781 -5.864 1.00 0.00 C ATOM 2501 O MET B 59 11.458 -1.978 -6.679 1.00 0.00 O ATOM 2502 CB MET B 59 11.051 -3.160 -3.530 1.00 0.00 C ATOM 2503 CG MET B 59 12.434 -2.704 -3.062 1.00 0.00 C ATOM 2504 SD MET B 59 12.430 -2.065 -1.374 1.00 0.00 S ATOM 2505 CE MET B 59 11.191 -3.115 -0.630 1.00 0.00 C ATOM 0 H MET B 59 11.484 -5.490 -4.216 1.00 0.00 H new ATOM 0 HA MET B 59 9.955 -3.449 -5.356 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.346 -2.342 -3.379 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.724 -3.984 -2.895 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.128 -3.542 -3.126 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.804 -1.932 -3.736 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.516 -2.509 -0.026 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.624 -3.620 -1.412 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.676 -3.858 0.003 1.00 0.00 H new ATOM 2515 N MET B 60 13.203 -2.981 -5.681 1.00 0.00 N ATOM 2516 CA MET B 60 14.201 -2.242 -6.445 1.00 0.00 C ATOM 2517 C MET B 60 14.032 -2.466 -7.945 1.00 0.00 C ATOM 2518 O MET B 60 14.470 -1.651 -8.757 1.00 0.00 O ATOM 2519 CB MET B 60 15.605 -2.647 -6.001 1.00 0.00 C ATOM 2520 CG MET B 60 15.985 -2.097 -4.634 1.00 0.00 C ATOM 2521 SD MET B 60 17.147 -0.724 -4.736 1.00 0.00 S ATOM 2522 CE MET B 60 16.276 0.364 -5.859 1.00 0.00 C ATOM 0 H MET B 60 13.590 -3.647 -5.012 1.00 0.00 H new ATOM 0 HA MET B 60 14.057 -1.179 -6.250 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.672 -3.735 -5.979 1.00 0.00 H new ATOM 0 HB3 MET B 60 16.327 -2.298 -6.739 1.00 0.00 H new ATOM 0 HG2 MET B 60 15.084 -1.768 -4.116 1.00 0.00 H new ATOM 0 HG3 MET B 60 16.423 -2.895 -4.035 1.00 0.00 H new ATOM 0 HE1 MET B 60 16.891 1.240 -6.067 1.00 0.00 H new ATOM 0 HE2 MET B 60 16.069 -0.164 -6.790 1.00 0.00 H new ATOM 0 HE3 MET B 60 15.337 0.680 -5.405 1.00 0.00 H new ATOM 2532 N LYS B 61 13.400 -3.575 -8.306 1.00 0.00 N ATOM 2533 CA LYS B 61 13.177 -3.911 -9.709 1.00 0.00 C ATOM 2534 C LYS B 61 12.008 -3.125 -10.306 1.00 0.00 C ATOM 2535 O LYS B 61 12.174 -2.393 -11.282 1.00 0.00 O ATOM 2536 CB LYS B 61 12.915 -5.410 -9.856 1.00 0.00 C ATOM 2537 CG LYS B 61 14.183 -6.246 -9.927 1.00 0.00 C ATOM 2538 CD LYS B 61 13.884 -7.725 -9.741 1.00 0.00 C ATOM 2539 CE LYS B 61 15.137 -8.505 -9.379 1.00 0.00 C ATOM 2540 NZ LYS B 61 15.981 -8.786 -10.573 1.00 0.00 N ATOM 0 H LYS B 61 13.031 -4.260 -7.646 1.00 0.00 H new ATOM 0 HA LYS B 61 14.079 -3.638 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS B 61 12.313 -5.749 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS B 61 12.326 -5.581 -10.757 1.00 0.00 H new ATOM 0 HG2 LYS B 61 14.670 -6.090 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS B 61 14.882 -5.915 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS B 61 13.137 -7.851 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS B 61 13.455 -8.129 -10.658 1.00 0.00 H new ATOM 0 HE2 LYS B 61 15.717 -7.941 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS B 61 14.855 -9.445 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 16.825 -9.319 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 15.436 -9.346 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 16.272 -7.889 -11.012 1.00 0.00 H new ATOM 2554 N LYS B 62 10.821 -3.309 -9.733 1.00 0.00 N ATOM 2555 CA LYS B 62 9.613 -2.648 -10.225 1.00 0.00 C ATOM 2556 C LYS B 62 9.490 -1.196 -9.752 1.00 0.00 C ATOM 2557 O LYS B 62 8.467 -0.553 -9.990 1.00 0.00 O ATOM 2558 CB LYS B 62 8.372 -3.437 -9.796 1.00 0.00 C ATOM 2559 CG LYS B 62 7.513 -3.906 -10.961 1.00 0.00 C ATOM 2560 CD LYS B 62 7.246 -2.782 -11.952 1.00 0.00 C ATOM 2561 CE LYS B 62 5.757 -2.580 -12.182 1.00 0.00 C ATOM 2562 NZ LYS B 62 5.031 -2.298 -10.914 1.00 0.00 N ATOM 0 H LYS B 62 10.669 -3.912 -8.925 1.00 0.00 H new ATOM 0 HA LYS B 62 9.689 -2.625 -11.312 1.00 0.00 H new ATOM 0 HB2 LYS B 62 8.686 -4.304 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS B 62 7.767 -2.815 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.011 -4.730 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.566 -4.291 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.686 -1.857 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.734 -3.009 -12.900 1.00 0.00 H new ATOM 0 HE2 LYS B 62 5.606 -1.754 -12.878 1.00 0.00 H new ATOM 0 HE3 LYS B 62 5.338 -3.471 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 4.197 -1.709 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 4.726 -3.194 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 5.661 -1.794 -10.258 1.00 0.00 H new ATOM 2576 N LEU B 63 10.514 -0.676 -9.087 1.00 0.00 N ATOM 2577 CA LEU B 63 10.469 0.703 -8.602 1.00 0.00 C ATOM 2578 C LEU B 63 10.628 1.705 -9.742 1.00 0.00 C ATOM 2579 O LEU B 63 10.513 2.913 -9.535 1.00 0.00 O ATOM 2580 CB LEU B 63 11.540 0.938 -7.530 1.00 0.00 C ATOM 2581 CG LEU B 63 12.827 1.615 -8.013 1.00 0.00 C ATOM 2582 CD1 LEU B 63 13.823 1.729 -6.871 1.00 0.00 C ATOM 2583 CD2 LEU B 63 13.429 0.847 -9.182 1.00 0.00 C ATOM 0 H LEU B 63 11.376 -1.178 -8.872 1.00 0.00 H new ATOM 0 HA LEU B 63 9.487 0.860 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU B 63 11.106 1.547 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU B 63 11.801 -0.023 -7.087 1.00 0.00 H new ATOM 0 HG LEU B 63 12.584 2.620 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU B 63 14.733 2.212 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU B 63 13.388 2.323 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU B 63 14.063 0.734 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU B 63 14.342 1.343 -9.511 1.00 0.00 H new ATOM 0 HD22 LEU B 63 13.662 -0.170 -8.868 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.715 0.818 -10.005 1.00 0.00 H new ATOM 2595 N ASP B 64 10.895 1.205 -10.941 1.00 0.00 N ATOM 2596 CA ASP B 64 11.071 2.065 -12.099 1.00 0.00 C ATOM 2597 C ASP B 64 12.296 2.959 -11.921 1.00 0.00 C ATOM 2598 O ASP B 64 13.378 2.649 -12.422 1.00 0.00 O ATOM 2599 CB ASP B 64 9.818 2.916 -12.331 1.00 0.00 C ATOM 2600 CG ASP B 64 9.022 2.457 -13.537 1.00 0.00 C ATOM 2601 OD1 ASP B 64 9.644 2.011 -14.524 1.00 0.00 O ATOM 2602 OD2 ASP B 64 7.777 2.544 -13.495 1.00 0.00 O ATOM 0 H ASP B 64 10.994 0.209 -11.135 1.00 0.00 H new ATOM 0 HA ASP B 64 11.228 1.434 -12.974 1.00 0.00 H new ATOM 0 HB2 ASP B 64 9.185 2.875 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP B 64 10.110 3.957 -12.467 1.00 0.00 H new ATOM 2607 N LEU B 65 12.121 4.062 -11.198 1.00 0.00 N ATOM 2608 CA LEU B 65 13.212 4.998 -10.943 1.00 0.00 C ATOM 2609 C LEU B 65 13.725 5.616 -12.242 1.00 0.00 C ATOM 2610 O LEU B 65 13.430 6.772 -12.549 1.00 0.00 O ATOM 2611 CB LEU B 65 14.356 4.292 -10.208 1.00 0.00 C ATOM 2612 CG LEU B 65 14.684 4.863 -8.826 1.00 0.00 C ATOM 2613 CD1 LEU B 65 15.271 6.260 -8.955 1.00 0.00 C ATOM 2614 CD2 LEU B 65 13.441 4.881 -7.944 1.00 0.00 C ATOM 0 H LEU B 65 11.231 4.330 -10.777 1.00 0.00 H new ATOM 0 HA LEU B 65 12.826 5.801 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU B 65 14.102 3.238 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU B 65 15.252 4.341 -10.827 1.00 0.00 H new ATOM 0 HG LEU B 65 15.427 4.220 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU B 65 15.499 6.652 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU B 65 16.185 6.217 -9.547 1.00 0.00 H new ATOM 0 HD13 LEU B 65 14.550 6.913 -9.447 1.00 0.00 H new ATOM 0 HD21 LEU B 65 13.695 5.290 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU B 65 12.674 5.501 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU B 65 13.064 3.865 -7.826 1.00 0.00 H new ATOM 2626 N ASN B 66 14.496 4.842 -12.999 1.00 0.00 N ATOM 2627 CA ASN B 66 15.055 5.313 -14.263 1.00 0.00 C ATOM 2628 C ASN B 66 16.031 6.464 -14.035 1.00 0.00 C ATOM 2629 O ASN B 66 16.328 7.227 -14.955 1.00 0.00 O ATOM 2630 CB ASN B 66 13.936 5.756 -15.209 1.00 0.00 C ATOM 2631 CG ASN B 66 13.490 4.646 -16.140 1.00 0.00 C ATOM 2632 OD1 ASN B 66 14.314 3.941 -16.724 1.00 0.00 O ATOM 2633 ND2 ASN B 66 12.180 4.485 -16.283 1.00 0.00 N ATOM 0 H ASN B 66 14.749 3.883 -12.759 1.00 0.00 H new ATOM 0 HA ASN B 66 15.599 4.486 -14.719 1.00 0.00 H new ATOM 0 HB2 ASN B 66 13.083 6.099 -14.623 1.00 0.00 H new ATOM 0 HB3 ASN B 66 14.279 6.606 -15.800 1.00 0.00 H new ATOM 0 HD21 ASN B 66 11.820 3.754 -16.896 1.00 0.00 H new ATOM 0 HD22 ASN B 66 11.534 5.092 -15.779 1.00 0.00 H new ATOM 2640 N SER B 67 16.528 6.587 -12.806 1.00 0.00 N ATOM 2641 CA SER B 67 17.472 7.646 -12.461 1.00 0.00 C ATOM 2642 C SER B 67 16.955 9.009 -12.907 1.00 0.00 C ATOM 2643 O SER B 67 15.832 9.128 -13.396 1.00 0.00 O ATOM 2644 CB SER B 67 18.836 7.370 -13.098 1.00 0.00 C ATOM 2645 OG SER B 67 19.684 6.671 -12.203 1.00 0.00 O ATOM 0 H SER B 67 16.292 5.966 -12.032 1.00 0.00 H new ATOM 0 HA SER B 67 17.580 7.659 -11.376 1.00 0.00 H new ATOM 0 HB2 SER B 67 18.704 6.787 -14.009 1.00 0.00 H new ATOM 0 HB3 SER B 67 19.303 8.311 -13.387 1.00 0.00 H new ATOM 0 HG SER B 67 20.549 6.505 -12.634 1.00 0.00 H new ATOM 2651 N ASP B 68 17.779 10.038 -12.730 1.00 0.00 N ATOM 2652 CA ASP B 68 17.399 11.394 -13.109 1.00 0.00 C ATOM 2653 C ASP B 68 16.086 11.794 -12.443 1.00 0.00 C ATOM 2654 O ASP B 68 15.364 12.660 -12.938 1.00 0.00 O ATOM 2655 CB ASP B 68 17.268 11.504 -14.629 1.00 0.00 C ATOM 2656 CG ASP B 68 18.556 11.958 -15.288 1.00 0.00 C ATOM 2657 OD1 ASP B 68 19.638 11.694 -14.722 1.00 0.00 O ATOM 2658 OD2 ASP B 68 18.482 12.579 -16.369 1.00 0.00 O ATOM 0 H ASP B 68 18.713 9.958 -12.327 1.00 0.00 H new ATOM 0 HA ASP B 68 18.181 12.073 -12.770 1.00 0.00 H new ATOM 0 HB2 ASP B 68 16.976 10.536 -15.037 1.00 0.00 H new ATOM 0 HB3 ASP B 68 16.471 12.207 -14.873 1.00 0.00 H new ATOM 2663 N GLY B 69 15.782 11.155 -11.316 1.00 0.00 N ATOM 2664 CA GLY B 69 14.559 11.454 -10.598 1.00 0.00 C ATOM 2665 C GLY B 69 14.646 11.079 -9.132 1.00 0.00 C ATOM 2666 O GLY B 69 15.692 11.244 -8.506 1.00 0.00 O ATOM 0 H GLY B 69 16.364 10.434 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.340 12.518 -10.686 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.729 10.918 -11.059 1.00 0.00 H new ATOM 2670 N GLN B 70 13.544 10.574 -8.586 1.00 0.00 N ATOM 2671 CA GLN B 70 13.494 10.175 -7.189 1.00 0.00 C ATOM 2672 C GLN B 70 12.461 9.073 -6.974 1.00 0.00 C ATOM 2673 O GLN B 70 11.864 8.573 -7.927 1.00 0.00 O ATOM 2674 CB GLN B 70 13.160 11.380 -6.306 1.00 0.00 C ATOM 2675 CG GLN B 70 14.378 12.181 -5.876 1.00 0.00 C ATOM 2676 CD GLN B 70 15.045 11.604 -4.644 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.444 10.340 -4.724 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 15.201 12.286 -3.632 1.00 0.00 N flip ATOM 0 H GLN B 70 12.671 10.432 -9.095 1.00 0.00 H new ATOM 0 HA GLN B 70 14.475 9.788 -6.912 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.477 12.036 -6.846 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.633 11.033 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN B 70 15.097 12.211 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.080 13.210 -5.676 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.879 13.254 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN B 70 15.653 11.884 -2.811 1.00 0.00 H new ATOM 2687 N LEU B 71 12.253 8.701 -5.713 1.00 0.00 N ATOM 2688 CA LEU B 71 11.290 7.663 -5.372 1.00 0.00 C ATOM 2689 C LEU B 71 9.867 8.133 -5.720 1.00 0.00 C ATOM 2690 O LEU B 71 9.646 8.621 -6.828 1.00 0.00 O ATOM 2691 CB LEU B 71 11.450 7.285 -3.888 1.00 0.00 C ATOM 2692 CG LEU B 71 12.094 5.919 -3.615 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.041 4.825 -3.620 1.00 0.00 C ATOM 2694 CD2 LEU B 71 13.187 5.606 -4.629 1.00 0.00 C ATOM 0 H LEU B 71 12.740 9.104 -4.912 1.00 0.00 H new ATOM 0 HA LEU B 71 11.476 6.763 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU B 71 12.049 8.053 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.466 7.302 -3.419 1.00 0.00 H new ATOM 0 HG LEU B 71 12.555 5.961 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.515 3.863 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.301 5.029 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.550 4.797 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.622 4.632 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.760 5.592 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.963 6.370 -4.576 1.00 0.00 H new ATOM 2706 N ASP B 72 8.899 8.000 -4.805 1.00 0.00 N ATOM 2707 CA ASP B 72 7.529 8.434 -5.092 1.00 0.00 C ATOM 2708 C ASP B 72 6.570 8.022 -3.979 1.00 0.00 C ATOM 2709 O ASP B 72 6.994 7.606 -2.901 1.00 0.00 O ATOM 2710 CB ASP B 72 7.048 7.863 -6.430 1.00 0.00 C ATOM 2711 CG ASP B 72 6.570 8.944 -7.381 1.00 0.00 C ATOM 2712 OD1 ASP B 72 7.200 10.021 -7.420 1.00 0.00 O ATOM 2713 OD2 ASP B 72 5.564 8.712 -8.084 1.00 0.00 O ATOM 0 H ASP B 72 9.036 7.602 -3.876 1.00 0.00 H new ATOM 0 HA ASP B 72 7.538 9.522 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.860 7.305 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.238 7.156 -6.250 1.00 0.00 H new ATOM 2718 N PHE B 73 5.273 8.150 -4.249 1.00 0.00 N ATOM 2719 CA PHE B 73 4.249 7.803 -3.269 1.00 0.00 C ATOM 2720 C PHE B 73 3.984 6.298 -3.235 1.00 0.00 C ATOM 2721 O PHE B 73 4.182 5.657 -2.199 1.00 0.00 O ATOM 2722 CB PHE B 73 2.957 8.572 -3.547 1.00 0.00 C ATOM 2723 CG PHE B 73 2.284 8.200 -4.836 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.712 8.738 -6.040 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.222 7.310 -4.845 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.094 8.395 -7.227 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.600 6.963 -6.029 1.00 0.00 C ATOM 2728 CZ PHE B 73 1.037 7.507 -7.222 1.00 0.00 C ATOM 0 H PHE B 73 4.907 8.491 -5.138 1.00 0.00 H new ATOM 0 HA PHE B 73 4.623 8.091 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.262 8.401 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.179 9.639 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.538 9.433 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.876 6.882 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.437 8.821 -8.158 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.226 6.268 -6.022 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.552 7.238 -8.149 1.00 0.00 H new ATOM 2738 N GLN B 74 3.548 5.719 -4.354 1.00 0.00 N ATOM 2739 CA GLN B 74 3.290 4.287 -4.384 1.00 0.00 C ATOM 2740 C GLN B 74 4.586 3.526 -4.555 1.00 0.00 C ATOM 2741 O GLN B 74 4.672 2.362 -4.185 1.00 0.00 O ATOM 2742 CB GLN B 74 2.305 3.890 -5.483 1.00 0.00 C ATOM 2743 CG GLN B 74 1.464 2.675 -5.105 1.00 0.00 C ATOM 2744 CD GLN B 74 1.868 1.411 -5.851 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.319 0.388 -5.119 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.773 1.351 -7.077 1.00 0.00 N flip ATOM 0 H GLN B 74 3.371 6.209 -5.231 1.00 0.00 H new ATOM 0 HA GLN B 74 2.832 4.027 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.646 4.731 -5.696 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.855 3.676 -6.399 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.551 2.500 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN B 74 0.415 2.890 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN B 74 1.424 2.153 -7.601 1.00 0.00 H new ATOM 0 HE22 GLN B 74 2.043 0.499 -7.568 1.00 0.00 H new ATOM 2755 N GLU B 75 5.611 4.189 -5.092 1.00 0.00 N ATOM 2756 CA GLU B 75 6.905 3.545 -5.262 1.00 0.00 C ATOM 2757 C GLU B 75 7.272 2.835 -3.967 1.00 0.00 C ATOM 2758 O GLU B 75 7.895 1.775 -3.976 1.00 0.00 O ATOM 2759 CB GLU B 75 7.979 4.568 -5.633 1.00 0.00 C ATOM 2760 CG GLU B 75 8.688 4.251 -6.939 1.00 0.00 C ATOM 2761 CD GLU B 75 9.853 5.180 -7.210 1.00 0.00 C ATOM 2762 OE1 GLU B 75 9.630 6.258 -7.799 1.00 0.00 O ATOM 2763 OE2 GLU B 75 10.989 4.828 -6.832 1.00 0.00 O ATOM 0 H GLU B 75 5.568 5.157 -5.411 1.00 0.00 H new ATOM 0 HA GLU B 75 6.844 2.822 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.521 5.554 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.715 4.618 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU B 75 9.047 3.222 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.975 4.319 -7.761 1.00 0.00 H new ATOM 2770 N PHE B 76 6.835 3.423 -2.854 1.00 0.00 N ATOM 2771 CA PHE B 76 7.067 2.846 -1.543 1.00 0.00 C ATOM 2772 C PHE B 76 6.051 1.747 -1.278 1.00 0.00 C ATOM 2773 O PHE B 76 6.415 0.613 -0.980 1.00 0.00 O ATOM 2774 CB PHE B 76 6.968 3.913 -0.458 1.00 0.00 C ATOM 2775 CG PHE B 76 7.890 3.658 0.699 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.544 2.753 1.690 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.104 4.318 0.795 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.391 2.512 2.754 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.954 4.082 1.859 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.598 3.178 2.839 1.00 0.00 C ATOM 0 H PHE B 76 6.317 4.302 -2.841 1.00 0.00 H new ATOM 0 HA PHE B 76 8.072 2.425 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.198 4.887 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.942 3.960 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.601 2.230 1.630 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.390 5.025 0.030 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.110 1.803 3.519 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.897 4.605 1.923 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.262 2.992 3.670 1.00 0.00 H new ATOM 2790 N LEU B 77 4.767 2.085 -1.408 1.00 0.00 N ATOM 2791 CA LEU B 77 3.705 1.111 -1.199 1.00 0.00 C ATOM 2792 C LEU B 77 3.951 -0.110 -2.078 1.00 0.00 C ATOM 2793 O LEU B 77 3.672 -1.240 -1.686 1.00 0.00 O ATOM 2794 CB LEU B 77 2.339 1.736 -1.497 1.00 0.00 C ATOM 2795 CG LEU B 77 1.618 2.295 -0.270 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.523 3.271 -0.676 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.046 1.160 0.559 1.00 0.00 C ATOM 0 H LEU B 77 4.443 3.020 -1.655 1.00 0.00 H new ATOM 0 HA LEU B 77 3.706 0.796 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.471 2.539 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.704 0.984 -1.965 1.00 0.00 H new ATOM 0 HG LEU B 77 2.341 2.842 0.335 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.027 3.653 0.216 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.962 4.101 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.205 2.759 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.534 1.568 1.431 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.338 0.590 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.854 0.505 0.886 1.00 0.00 H new ATOM 2809 N ASN B 78 4.516 0.134 -3.256 1.00 0.00 N ATOM 2810 CA ASN B 78 4.856 -0.933 -4.184 1.00 0.00 C ATOM 2811 C ASN B 78 6.117 -1.622 -3.688 1.00 0.00 C ATOM 2812 O ASN B 78 6.235 -2.847 -3.731 1.00 0.00 O ATOM 2813 CB ASN B 78 5.063 -0.367 -5.603 1.00 0.00 C ATOM 2814 CG ASN B 78 6.260 -0.966 -6.323 1.00 0.00 C ATOM 2815 OD1 ASN B 78 6.306 -2.169 -6.583 1.00 0.00 O ATOM 2816 ND2 ASN B 78 7.236 -0.127 -6.648 1.00 0.00 N ATOM 0 H ASN B 78 4.749 1.069 -3.590 1.00 0.00 H new ATOM 0 HA ASN B 78 4.041 -1.656 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.165 -0.549 -6.193 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.190 0.714 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN B 78 8.065 -0.472 -7.132 1.00 0.00 H new ATOM 0 HD22 ASN B 78 7.157 0.863 -6.414 1.00 0.00 H new ATOM 2823 N LEU B 79 7.056 -0.812 -3.205 1.00 0.00 N ATOM 2824 CA LEU B 79 8.310 -1.320 -2.683 1.00 0.00 C ATOM 2825 C LEU B 79 8.050 -2.216 -1.476 1.00 0.00 C ATOM 2826 O LEU B 79 8.426 -3.386 -1.469 1.00 0.00 O ATOM 2827 CB LEU B 79 9.226 -0.155 -2.283 1.00 0.00 C ATOM 2828 CG LEU B 79 10.404 0.139 -3.225 1.00 0.00 C ATOM 2829 CD1 LEU B 79 9.964 0.162 -4.681 1.00 0.00 C ATOM 2830 CD2 LEU B 79 11.058 1.460 -2.852 1.00 0.00 C ATOM 0 H LEU B 79 6.966 0.203 -3.167 1.00 0.00 H new ATOM 0 HA LEU B 79 8.802 -1.906 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.618 0.746 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.625 -0.359 -1.289 1.00 0.00 H new ATOM 0 HG LEU B 79 11.131 -0.665 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.823 0.373 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.543 -0.807 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.210 0.937 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.891 1.657 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.327 2.264 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.426 1.407 -1.827 1.00 0.00 H new ATOM 2842 N ILE B 80 7.392 -1.655 -0.463 1.00 0.00 N ATOM 2843 CA ILE B 80 7.066 -2.392 0.751 1.00 0.00 C ATOM 2844 C ILE B 80 5.910 -3.356 0.513 1.00 0.00 C ATOM 2845 O ILE B 80 5.971 -4.518 0.916 1.00 0.00 O ATOM 2846 CB ILE B 80 6.741 -1.452 1.931 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.961 -2.184 3.250 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.317 -0.939 1.854 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.795 -3.062 3.644 1.00 0.00 C ATOM 0 H ILE B 80 7.074 -0.686 -0.462 1.00 0.00 H new ATOM 0 HA ILE B 80 7.953 -2.966 1.018 1.00 0.00 H new ATOM 0 HB ILE B 80 7.410 -0.593 1.874 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.859 -2.797 3.173 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.140 -1.453 4.039 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.121 -0.280 2.700 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.179 -0.387 0.924 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.625 -1.781 1.882 1.00 0.00 H new ATOM 0 HD11 ILE B 80 6.014 -3.555 4.591 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.899 -2.450 3.752 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.630 -3.815 2.873 1.00 0.00 H new ATOM 2861 N GLY B 81 4.862 -2.879 -0.159 1.00 0.00 N ATOM 2862 CA GLY B 81 3.727 -3.735 -0.447 1.00 0.00 C ATOM 2863 C GLY B 81 4.184 -5.008 -1.115 1.00 0.00 C ATOM 2864 O GLY B 81 3.824 -6.106 -0.693 1.00 0.00 O ATOM 0 H GLY B 81 4.781 -1.923 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.198 -3.971 0.476 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.023 -3.211 -1.093 1.00 0.00 H new ATOM 2868 N GLY B 82 5.016 -4.856 -2.142 1.00 0.00 N ATOM 2869 CA GLY B 82 5.549 -6.020 -2.827 1.00 0.00 C ATOM 2870 C GLY B 82 6.163 -7.006 -1.847 1.00 0.00 C ATOM 2871 O GLY B 82 5.970 -8.215 -1.971 1.00 0.00 O ATOM 0 H GLY B 82 5.328 -3.957 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.753 -6.510 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.302 -5.706 -3.550 1.00 0.00 H new ATOM 2875 N LEU B 83 6.891 -6.488 -0.853 1.00 0.00 N ATOM 2876 CA LEU B 83 7.504 -7.345 0.159 1.00 0.00 C ATOM 2877 C LEU B 83 6.449 -8.195 0.852 1.00 0.00 C ATOM 2878 O LEU B 83 6.620 -9.401 1.009 1.00 0.00 O ATOM 2879 CB LEU B 83 8.243 -6.508 1.202 1.00 0.00 C ATOM 2880 CG LEU B 83 9.019 -5.326 0.640 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.856 -4.669 1.725 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.889 -5.771 -0.524 1.00 0.00 C ATOM 0 H LEU B 83 7.067 -5.491 -0.730 1.00 0.00 H new ATOM 0 HA LEU B 83 8.217 -7.997 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.520 -6.137 1.928 1.00 0.00 H new ATOM 0 HB3 LEU B 83 8.935 -7.155 1.742 1.00 0.00 H new ATOM 0 HG LEU B 83 8.308 -4.587 0.272 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.403 -3.826 1.302 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.204 -4.315 2.523 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.562 -5.394 2.129 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.438 -4.915 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.594 -6.529 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.260 -6.189 -1.310 1.00 0.00 H new ATOM 2894 N ALA B 84 5.357 -7.561 1.266 1.00 0.00 N ATOM 2895 CA ALA B 84 4.279 -8.274 1.942 1.00 0.00 C ATOM 2896 C ALA B 84 3.774 -9.435 1.101 1.00 0.00 C ATOM 2897 O ALA B 84 3.346 -10.463 1.625 1.00 0.00 O ATOM 2898 CB ALA B 84 3.129 -7.334 2.230 1.00 0.00 C ATOM 0 H ALA B 84 5.195 -6.561 1.146 1.00 0.00 H new ATOM 0 HA ALA B 84 4.679 -8.666 2.877 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.331 -7.879 2.735 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.474 -6.522 2.869 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.752 -6.923 1.294 1.00 0.00 H new ATOM 2904 N VAL B 85 3.817 -9.252 -0.206 1.00 0.00 N ATOM 2905 CA VAL B 85 3.352 -10.274 -1.134 1.00 0.00 C ATOM 2906 C VAL B 85 4.438 -11.291 -1.435 1.00 0.00 C ATOM 2907 O VAL B 85 4.162 -12.383 -1.930 1.00 0.00 O ATOM 2908 CB VAL B 85 2.818 -9.681 -2.460 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.370 -10.084 -2.646 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.940 -8.162 -2.508 1.00 0.00 C ATOM 0 H VAL B 85 4.169 -8.405 -0.652 1.00 0.00 H new ATOM 0 HA VAL B 85 2.523 -10.773 -0.632 1.00 0.00 H new ATOM 0 HB VAL B 85 3.430 -10.081 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.993 -9.667 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.296 -11.171 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.777 -9.705 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.552 -7.796 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.368 -7.725 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.988 -7.878 -2.410 1.00 0.00 H new ATOM 2920 N ALA B 86 5.670 -10.925 -1.138 1.00 0.00 N ATOM 2921 CA ALA B 86 6.799 -11.798 -1.377 1.00 0.00 C ATOM 2922 C ALA B 86 7.430 -12.264 -0.068 1.00 0.00 C ATOM 2923 O ALA B 86 8.430 -12.982 -0.069 1.00 0.00 O ATOM 2924 CB ALA B 86 7.806 -11.062 -2.229 1.00 0.00 C ATOM 0 H ALA B 86 5.913 -10.023 -0.728 1.00 0.00 H new ATOM 0 HA ALA B 86 6.458 -12.692 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.664 -11.708 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.346 -10.783 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.136 -10.163 -1.708 1.00 0.00 H new ATOM 2930 N CYS B 87 6.839 -11.849 1.049 1.00 0.00 N ATOM 2931 CA CYS B 87 7.339 -12.218 2.364 1.00 0.00 C ATOM 2932 C CYS B 87 6.191 -12.585 3.299 1.00 0.00 C ATOM 2933 O CYS B 87 6.287 -13.548 4.060 1.00 0.00 O ATOM 2934 CB CYS B 87 8.159 -11.071 2.962 1.00 0.00 C ATOM 2935 SG CYS B 87 9.828 -11.546 3.468 1.00 0.00 S ATOM 0 H CYS B 87 6.010 -11.255 1.066 1.00 0.00 H new ATOM 0 HA CYS B 87 7.982 -13.091 2.250 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.228 -10.267 2.229 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.629 -10.671 3.826 1.00 0.00 H new ATOM 0 HG CYS B 87 10.574 -10.485 3.555 1.00 0.00 H new ATOM 2941 N HIS B 88 5.102 -11.817 3.244 1.00 0.00 N ATOM 2942 CA HIS B 88 3.951 -12.088 4.099 1.00 0.00 C ATOM 2943 C HIS B 88 3.073 -13.184 3.500 1.00 0.00 C ATOM 2944 O HIS B 88 3.485 -13.889 2.578 1.00 0.00 O ATOM 2945 CB HIS B 88 3.132 -10.817 4.320 1.00 0.00 C ATOM 2946 CG HIS B 88 2.644 -10.666 5.728 1.00 0.00 C ATOM 2947 ND1 HIS B 88 1.324 -10.836 6.091 1.00 0.00 N ATOM 2948 CD2 HIS B 88 3.308 -10.358 6.868 1.00 0.00 C ATOM 2949 CE1 HIS B 88 1.198 -10.639 7.392 1.00 0.00 C ATOM 2950 NE2 HIS B 88 2.386 -10.349 7.886 1.00 0.00 N ATOM 0 H HIS B 88 4.995 -11.014 2.625 1.00 0.00 H new ATOM 0 HA HIS B 88 4.324 -12.434 5.063 1.00 0.00 H new ATOM 0 HB2 HIS B 88 3.740 -9.951 4.058 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.277 -10.822 3.645 1.00 0.00 H new ATOM 0 HD2 HIS B 88 4.365 -10.157 6.959 1.00 0.00 H new ATOM 0 HE1 HIS B 88 0.279 -10.704 7.955 1.00 0.00 H new ATOM 0 HE2 HIS B 88 2.588 -10.150 8.866 1.00 0.00 H new ATOM 2959 N GLU B 89 1.864 -13.329 4.035 1.00 0.00 N ATOM 2960 CA GLU B 89 0.934 -14.345 3.557 1.00 0.00 C ATOM 2961 C GLU B 89 -0.042 -13.768 2.534 1.00 0.00 C ATOM 2962 O GLU B 89 -1.212 -14.152 2.495 1.00 0.00 O ATOM 2963 CB GLU B 89 0.165 -14.952 4.734 1.00 0.00 C ATOM 2964 CG GLU B 89 0.295 -16.464 4.830 1.00 0.00 C ATOM 2965 CD GLU B 89 0.750 -16.926 6.202 1.00 0.00 C ATOM 2966 OE1 GLU B 89 1.726 -16.351 6.728 1.00 0.00 O ATOM 2967 OE2 GLU B 89 0.129 -17.861 6.749 1.00 0.00 O ATOM 0 H GLU B 89 1.506 -12.756 4.799 1.00 0.00 H new ATOM 0 HA GLU B 89 1.514 -15.126 3.066 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.524 -14.505 5.661 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.889 -14.691 4.642 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -0.666 -16.923 4.597 1.00 0.00 H new ATOM 0 HG3 GLU B 89 1.005 -16.812 4.080 1.00 0.00 H new ATOM 2974 N SER B 90 0.445 -12.851 1.705 1.00 0.00 N ATOM 2975 CA SER B 90 -0.389 -12.230 0.680 1.00 0.00 C ATOM 2976 C SER B 90 -0.156 -12.880 -0.687 1.00 0.00 C ATOM 2977 O SER B 90 -0.664 -12.406 -1.702 1.00 0.00 O ATOM 2978 CB SER B 90 -0.107 -10.727 0.601 1.00 0.00 C ATOM 2979 OG SER B 90 0.858 -10.335 1.562 1.00 0.00 O ATOM 0 H SER B 90 1.410 -12.521 1.722 1.00 0.00 H new ATOM 0 HA SER B 90 -1.432 -12.381 0.958 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.247 -10.473 -0.398 1.00 0.00 H new ATOM 0 HB3 SER B 90 -1.031 -10.172 0.763 1.00 0.00 H new ATOM 0 HG SER B 90 1.732 -10.703 1.317 1.00 0.00 H new ATOM 2985 N PHE B 91 0.613 -13.966 -0.703 1.00 0.00 N ATOM 2986 CA PHE B 91 0.914 -14.683 -1.938 1.00 0.00 C ATOM 2987 C PHE B 91 1.854 -15.848 -1.661 1.00 0.00 C ATOM 2988 O PHE B 91 1.706 -16.931 -2.229 1.00 0.00 O ATOM 2989 CB PHE B 91 1.546 -13.742 -2.967 1.00 0.00 C ATOM 2990 CG PHE B 91 1.069 -13.978 -4.371 1.00 0.00 C ATOM 2991 CD1 PHE B 91 1.302 -15.189 -5.003 1.00 0.00 C ATOM 2992 CD2 PHE B 91 0.388 -12.987 -5.060 1.00 0.00 C ATOM 2993 CE1 PHE B 91 0.865 -15.407 -6.296 1.00 0.00 C ATOM 2994 CE2 PHE B 91 -0.052 -13.200 -6.353 1.00 0.00 C ATOM 2995 CZ PHE B 91 0.186 -14.412 -6.971 1.00 0.00 C ATOM 0 H PHE B 91 1.041 -14.370 0.130 1.00 0.00 H new ATOM 0 HA PHE B 91 -0.021 -15.070 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.328 -12.712 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.629 -13.858 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE B 91 1.831 -15.971 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE B 91 0.199 -12.038 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE B 91 1.054 -16.355 -6.778 1.00 0.00 H new ATOM 0 HE2 PHE B 91 -0.581 -12.420 -6.879 1.00 0.00 H new ATOM 0 HZ PHE B 91 -0.158 -14.581 -7.981 1.00 0.00 H new ATOM 3005 N VAL B 92 2.822 -15.617 -0.780 1.00 0.00 N ATOM 3006 CA VAL B 92 3.789 -16.645 -0.421 1.00 0.00 C ATOM 3007 C VAL B 92 3.091 -17.856 0.187 1.00 0.00 C ATOM 3008 O VAL B 92 1.967 -17.755 0.680 1.00 0.00 O ATOM 3009 CB VAL B 92 4.835 -16.113 0.580 1.00 0.00 C ATOM 3010 CG1 VAL B 92 6.007 -17.077 0.688 1.00 0.00 C ATOM 3011 CG2 VAL B 92 5.311 -14.721 0.181 1.00 0.00 C ATOM 0 H VAL B 92 2.957 -14.726 -0.302 1.00 0.00 H new ATOM 0 HA VAL B 92 4.298 -16.939 -1.339 1.00 0.00 H new ATOM 0 HB VAL B 92 4.363 -16.037 1.560 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.735 -16.686 1.398 1.00 0.00 H new ATOM 0 HG12 VAL B 92 5.649 -18.047 1.032 1.00 0.00 H new ATOM 0 HG13 VAL B 92 6.477 -17.189 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL B 92 6.048 -14.368 0.902 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.763 -14.761 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.462 -14.037 0.165 1.00 0.00 H new ATOM 3021 N LYS B 93 3.760 -19.003 0.146 1.00 0.00 N ATOM 3022 CA LYS B 93 3.198 -20.234 0.690 1.00 0.00 C ATOM 3023 C LYS B 93 1.912 -20.619 -0.041 1.00 0.00 C ATOM 3024 O LYS B 93 1.124 -21.424 0.455 1.00 0.00 O ATOM 3025 CB LYS B 93 2.923 -20.076 2.188 1.00 0.00 C ATOM 3026 CG LYS B 93 3.854 -20.895 3.066 1.00 0.00 C ATOM 3027 CD LYS B 93 5.092 -20.102 3.460 1.00 0.00 C ATOM 3028 CE LYS B 93 5.375 -20.215 4.949 1.00 0.00 C ATOM 3029 NZ LYS B 93 6.010 -18.981 5.490 1.00 0.00 N ATOM 0 H LYS B 93 4.691 -19.106 -0.258 1.00 0.00 H new ATOM 0 HA LYS B 93 3.927 -21.031 0.544 1.00 0.00 H new ATOM 0 HB2 LYS B 93 3.015 -19.024 2.457 1.00 0.00 H new ATOM 0 HB3 LYS B 93 1.893 -20.368 2.393 1.00 0.00 H new ATOM 0 HG2 LYS B 93 3.323 -21.212 3.964 1.00 0.00 H new ATOM 0 HG3 LYS B 93 4.153 -21.799 2.536 1.00 0.00 H new ATOM 0 HD2 LYS B 93 5.952 -20.464 2.897 1.00 0.00 H new ATOM 0 HD3 LYS B 93 4.954 -19.054 3.193 1.00 0.00 H new ATOM 0 HE2 LYS B 93 4.444 -20.407 5.482 1.00 0.00 H new ATOM 0 HE3 LYS B 93 6.028 -21.069 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 6.186 -19.099 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 6.911 -18.811 5.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 5.376 -18.170 5.340 1.00 0.00 H new ATOM 3043 N ALA B 94 1.706 -20.040 -1.222 1.00 0.00 N ATOM 3044 CA ALA B 94 0.518 -20.324 -2.017 1.00 0.00 C ATOM 3045 C ALA B 94 0.889 -20.966 -3.350 1.00 0.00 C ATOM 3046 O ALA B 94 0.097 -21.704 -3.936 1.00 0.00 O ATOM 3047 CB ALA B 94 -0.279 -19.048 -2.248 1.00 0.00 C ATOM 0 H ALA B 94 2.348 -19.371 -1.648 1.00 0.00 H new ATOM 0 HA ALA B 94 -0.099 -21.031 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -1.164 -19.274 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -0.584 -18.631 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA B 94 0.339 -18.324 -2.778 1.00 0.00 H new ATOM 3053 N ALA B 95 2.099 -20.679 -3.826 1.00 0.00 N ATOM 3054 CA ALA B 95 2.569 -21.230 -5.089 1.00 0.00 C ATOM 3055 C ALA B 95 4.043 -21.633 -5.011 1.00 0.00 C ATOM 3056 O ALA B 95 4.854 -21.202 -5.831 1.00 0.00 O ATOM 3057 CB ALA B 95 2.358 -20.215 -6.202 1.00 0.00 C ATOM 0 H ALA B 95 2.768 -20.069 -3.355 1.00 0.00 H new ATOM 0 HA ALA B 95 1.992 -22.130 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA B 95 2.711 -20.631 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA B 95 1.297 -19.980 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA B 95 2.915 -19.306 -5.976 1.00 0.00 H new ATOM 3063 N PRO B 96 4.416 -22.468 -4.023 1.00 0.00 N ATOM 3064 CA PRO B 96 5.804 -22.919 -3.855 1.00 0.00 C ATOM 3065 C PRO B 96 6.336 -23.662 -5.082 1.00 0.00 C ATOM 3066 O PRO B 96 7.440 -23.384 -5.549 1.00 0.00 O ATOM 3067 CB PRO B 96 5.734 -23.860 -2.646 1.00 0.00 C ATOM 3068 CG PRO B 96 4.498 -23.460 -1.924 1.00 0.00 C ATOM 3069 CD PRO B 96 3.532 -23.040 -2.990 1.00 0.00 C ATOM 0 HA PRO B 96 6.485 -22.079 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO B 96 5.689 -24.903 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO B 96 6.614 -23.755 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO B 96 4.100 -24.288 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO B 96 4.696 -22.644 -1.229 1.00 0.00 H new ATOM 0 HD2 PRO B 96 2.958 -23.884 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO B 96 2.815 -22.307 -2.620 1.00 0.00 H new ATOM 3077 N PRO B 97 5.561 -24.623 -5.622 1.00 0.00 N ATOM 3078 CA PRO B 97 5.972 -25.400 -6.791 1.00 0.00 C ATOM 3079 C PRO B 97 5.662 -24.693 -8.108 1.00 0.00 C ATOM 3080 O PRO B 97 6.287 -24.968 -9.132 1.00 0.00 O ATOM 3081 CB PRO B 97 5.133 -26.666 -6.657 1.00 0.00 C ATOM 3082 CG PRO B 97 3.865 -26.204 -6.023 1.00 0.00 C ATOM 3083 CD PRO B 97 4.228 -25.036 -5.138 1.00 0.00 C ATOM 0 HA PRO B 97 7.048 -25.571 -6.816 1.00 0.00 H new ATOM 0 HB2 PRO B 97 4.948 -27.125 -7.628 1.00 0.00 H new ATOM 0 HB3 PRO B 97 5.636 -27.413 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO B 97 3.139 -25.906 -6.780 1.00 0.00 H new ATOM 0 HG3 PRO B 97 3.408 -27.004 -5.441 1.00 0.00 H new ATOM 0 HD2 PRO B 97 3.503 -24.227 -5.227 1.00 0.00 H new ATOM 0 HD3 PRO B 97 4.256 -25.325 -4.087 1.00 0.00 H new ATOM 3091 N GLN B 98 4.692 -23.784 -8.076 1.00 0.00 N ATOM 3092 CA GLN B 98 4.297 -23.040 -9.269 1.00 0.00 C ATOM 3093 C GLN B 98 5.509 -22.431 -9.970 1.00 0.00 C ATOM 3094 O GLN B 98 6.505 -22.095 -9.331 1.00 0.00 O ATOM 3095 CB GLN B 98 3.302 -21.938 -8.902 1.00 0.00 C ATOM 3096 CG GLN B 98 2.290 -21.643 -9.996 1.00 0.00 C ATOM 3097 CD GLN B 98 2.677 -20.444 -10.840 1.00 0.00 C ATOM 3098 OE1 GLN B 98 3.211 -19.458 -10.330 1.00 0.00 O ATOM 3099 NE2 GLN B 98 2.410 -20.522 -12.138 1.00 0.00 N ATOM 0 H GLN B 98 4.164 -23.544 -7.237 1.00 0.00 H new ATOM 0 HA GLN B 98 3.822 -23.741 -9.956 1.00 0.00 H new ATOM 0 HB2 GLN B 98 2.770 -22.227 -7.995 1.00 0.00 H new ATOM 0 HB3 GLN B 98 3.852 -21.026 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN B 98 2.190 -22.518 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN B 98 1.314 -21.465 -9.545 1.00 0.00 H new ATOM 0 HE21 GLN B 98 1.967 -21.358 -12.518 1.00 0.00 H new ATOM 0 HE22 GLN B 98 2.648 -19.746 -12.755 1.00 0.00 H new ATOM 3108 N LYS B 99 5.413 -22.294 -11.289 1.00 0.00 N ATOM 3109 CA LYS B 99 6.497 -21.726 -12.081 1.00 0.00 C ATOM 3110 C LYS B 99 6.023 -20.497 -12.849 1.00 0.00 C ATOM 3111 O LYS B 99 5.354 -20.615 -13.876 1.00 0.00 O ATOM 3112 CB LYS B 99 7.045 -22.770 -13.055 1.00 0.00 C ATOM 3113 CG LYS B 99 8.147 -23.636 -12.465 1.00 0.00 C ATOM 3114 CD LYS B 99 8.773 -24.535 -13.519 1.00 0.00 C ATOM 3115 CE LYS B 99 10.024 -23.908 -14.114 1.00 0.00 C ATOM 3116 NZ LYS B 99 10.215 -24.295 -15.540 1.00 0.00 N ATOM 0 H LYS B 99 4.594 -22.569 -11.832 1.00 0.00 H new ATOM 0 HA LYS B 99 7.291 -21.422 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS B 99 6.228 -23.412 -13.384 1.00 0.00 H new ATOM 0 HB3 LYS B 99 7.428 -22.263 -13.940 1.00 0.00 H new ATOM 0 HG2 LYS B 99 8.915 -23.000 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS B 99 7.739 -24.247 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS B 99 9.023 -25.498 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS B 99 8.049 -24.728 -14.311 1.00 0.00 H new ATOM 0 HE2 LYS B 99 9.957 -22.823 -14.038 1.00 0.00 H new ATOM 0 HE3 LYS B 99 10.895 -24.215 -13.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 99 11.078 -23.847 -15.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 99 10.304 -25.329 -15.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 99 9.396 -23.980 -16.098 1.00 0.00 H new ATOM 3130 N ARG B 100 6.374 -19.318 -12.346 1.00 0.00 N ATOM 3131 CA ARG B 100 5.983 -18.068 -12.987 1.00 0.00 C ATOM 3132 C ARG B 100 7.098 -17.547 -13.889 1.00 0.00 C ATOM 3133 O ARG B 100 6.836 -16.960 -14.939 1.00 0.00 O ATOM 3134 CB ARG B 100 5.632 -17.017 -11.931 1.00 0.00 C ATOM 3135 CG ARG B 100 6.666 -16.898 -10.824 1.00 0.00 C ATOM 3136 CD ARG B 100 6.584 -15.550 -10.127 1.00 0.00 C ATOM 3137 NE ARG B 100 7.905 -15.027 -9.789 1.00 0.00 N ATOM 3138 CZ ARG B 100 8.655 -15.495 -8.795 1.00 0.00 C ATOM 3139 NH1 ARG B 100 8.221 -16.495 -8.040 1.00 0.00 N ATOM 3140 NH2 ARG B 100 9.846 -14.961 -8.556 1.00 0.00 N ATOM 0 H ARG B 100 6.928 -19.202 -11.497 1.00 0.00 H new ATOM 0 HA ARG B 100 5.104 -18.263 -13.602 1.00 0.00 H new ATOM 0 HB2 ARG B 100 5.520 -16.048 -12.418 1.00 0.00 H new ATOM 0 HB3 ARG B 100 4.667 -17.266 -11.490 1.00 0.00 H new ATOM 0 HG2 ARG B 100 6.514 -17.695 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG B 100 7.664 -17.033 -11.241 1.00 0.00 H new ATOM 0 HD2 ARG B 100 6.067 -14.839 -10.772 1.00 0.00 H new ATOM 0 HD3 ARG B 100 5.989 -15.647 -9.219 1.00 0.00 H new ATOM 0 HE ARG B 100 8.274 -14.258 -10.348 1.00 0.00 H new ATOM 0 HH11 ARG B 100 7.307 -16.910 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG B 100 8.801 -16.849 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG B 100 10.186 -14.192 -9.134 1.00 0.00 H new ATOM 0 HH22 ARG B 100 10.422 -15.319 -7.794 1.00 0.00 H new ATOM 3153 N PHE B 101 8.340 -17.766 -13.472 1.00 0.00 N ATOM 3154 CA PHE B 101 9.494 -17.319 -14.243 1.00 0.00 C ATOM 3155 C PHE B 101 10.737 -18.125 -13.879 1.00 0.00 C ATOM 3156 O PHE B 101 11.427 -18.597 -14.807 1.00 0.00 O ATOM 3157 CB PHE B 101 9.749 -15.829 -14.001 1.00 0.00 C ATOM 3158 CG PHE B 101 10.131 -15.076 -15.244 1.00 0.00 C ATOM 3159 CD1 PHE B 101 9.156 -14.548 -16.076 1.00 0.00 C ATOM 3160 CD2 PHE B 101 11.463 -14.895 -15.578 1.00 0.00 C ATOM 3161 CE1 PHE B 101 9.504 -13.854 -17.219 1.00 0.00 C ATOM 3162 CE2 PHE B 101 11.817 -14.203 -16.721 1.00 0.00 C ATOM 3163 CZ PHE B 101 10.837 -13.682 -17.542 1.00 0.00 C ATOM 3164 OXT PHE B 101 11.011 -18.276 -12.671 1.00 0.00 O ATOM 0 H PHE B 101 8.573 -18.250 -12.605 1.00 0.00 H new ATOM 0 HA PHE B 101 9.277 -17.477 -15.299 1.00 0.00 H new ATOM 0 HB2 PHE B 101 8.852 -15.380 -13.575 1.00 0.00 H new ATOM 0 HB3 PHE B 101 10.542 -15.720 -13.262 1.00 0.00 H new ATOM 0 HD1 PHE B 101 8.113 -14.681 -15.828 1.00 0.00 H new ATOM 0 HD2 PHE B 101 12.234 -15.299 -14.938 1.00 0.00 H new ATOM 0 HE1 PHE B 101 8.736 -13.446 -17.859 1.00 0.00 H new ATOM 0 HE2 PHE B 101 12.859 -14.070 -16.972 1.00 0.00 H new ATOM 0 HZ PHE B 101 11.111 -13.141 -18.435 1.00 0.00 H new TER 3174 PHE B 101