USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 968 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 89 HIS HE2 : A 89 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 113 HIS HE2 : A 113 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 118 HIS HE2 : A 118 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 122 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 106 GLN : amide:sc= 0.202 K(o=0.42,f=-0.27) USER MOD Set 2.2: A 108 LYS NZ :NH3+ -119:sc= 0.213 (180deg=-0.179) USER MOD Set 3.1: A 93 MET CE :methyl -168:sc= -3.86! (180deg=-1.31) USER MOD Set 3.2: A 105 MET CE :methyl -126:sc= -6.94! (180deg=-7.84!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0423) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -1:sc= 1.23 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= 1.08 (180deg=0.826) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.0598 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.536 (180deg=-0.631) USER MOD Single : A 50 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0588 F(o=-0.56,f=-0.059) USER MOD Single : A 60 MET CE :methyl -168:sc=-0.00241 (180deg=-0.332) USER MOD Single : A 61 ASN : amide:sc= 0.443 K(o=0.44,f=-8.2!) USER MOD Single : A 63 SER OG : rot 55:sc= 0.152 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -44:sc= 0.892 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.127 F(o=-0.98,f=-0.13) USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.0539 USER MOD Single : A 80 MET CE :methyl -135:sc= -1.17 (180deg=-4.97!) USER MOD Single : A 86 MET CE :methyl 163:sc= -3.98 (180deg=-6.91!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.904 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc=-0.000299 USER MOD Single : A 102 GLN : amide:sc= -3.5! C(o=-3.5!,f=-5.9!) USER MOD Single : A 103 GLN :FLIP amide:sc= 0.0251 F(o=-2.8,f=0.025) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.313 USER MOD Single : A 114 MET CE :methyl -119:sc= -0.0935 (180deg=-1.03) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc=-0.00519 (180deg=-0.156) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.948 21.076 0.967 1.00 0.00 N ATOM 2 CA GLY A 1 5.161 21.601 2.303 1.00 0.00 C ATOM 3 C GLY A 1 4.202 21.009 3.317 1.00 0.00 C ATOM 4 O GLY A 1 2.985 21.128 3.174 1.00 0.00 O ATOM 0 H1 GLY A 1 5.627 21.511 0.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.084 20.045 0.973 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.979 21.295 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.186 21.394 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.045 22.685 2.287 1.00 0.00 H new ATOM 8 N SER A 2 4.750 20.368 4.344 1.00 0.00 N ATOM 9 CA SER A 2 3.935 19.750 5.384 1.00 0.00 C ATOM 10 C SER A 2 3.829 20.660 6.604 1.00 0.00 C ATOM 11 O SER A 2 4.759 21.402 6.921 1.00 0.00 O ATOM 12 CB SER A 2 4.527 18.399 5.790 1.00 0.00 C ATOM 13 OG SER A 2 4.706 17.561 4.662 1.00 0.00 O ATOM 0 H SER A 2 5.756 20.263 4.479 1.00 0.00 H new ATOM 0 HA SER A 2 2.934 19.593 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.484 18.553 6.288 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.868 17.911 6.509 1.00 0.00 H new ATOM 0 HG SER A 2 5.087 16.705 4.948 1.00 0.00 H new ATOM 19 N SER A 3 2.689 20.597 7.284 1.00 0.00 N ATOM 20 CA SER A 3 2.459 21.418 8.467 1.00 0.00 C ATOM 21 C SER A 3 2.879 20.676 9.733 1.00 0.00 C ATOM 22 O SER A 3 3.795 21.098 10.438 1.00 0.00 O ATOM 23 CB SER A 3 0.984 21.813 8.561 1.00 0.00 C ATOM 24 OG SER A 3 0.823 23.013 9.297 1.00 0.00 O ATOM 0 H SER A 3 1.910 19.986 7.036 1.00 0.00 H new ATOM 0 HA SER A 3 3.065 22.320 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.574 21.939 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.419 21.012 9.038 1.00 0.00 H new ATOM 0 HG SER A 3 -0.128 23.245 9.341 1.00 0.00 H new ATOM 30 N GLY A 4 2.202 19.567 10.014 1.00 0.00 N ATOM 31 CA GLY A 4 2.518 18.783 11.194 1.00 0.00 C ATOM 32 C GLY A 4 1.930 19.377 12.459 1.00 0.00 C ATOM 33 O GLY A 4 0.849 19.966 12.432 1.00 0.00 O ATOM 0 H GLY A 4 1.440 19.197 9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.142 17.768 11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.600 18.711 11.299 1.00 0.00 H new ATOM 37 N SER A 5 2.642 19.220 13.570 1.00 0.00 N ATOM 38 CA SER A 5 2.181 19.740 14.853 1.00 0.00 C ATOM 39 C SER A 5 0.793 19.204 15.189 1.00 0.00 C ATOM 40 O SER A 5 -0.085 19.950 15.623 1.00 0.00 O ATOM 41 CB SER A 5 2.156 21.270 14.827 1.00 0.00 C ATOM 42 OG SER A 5 3.468 21.802 14.891 1.00 0.00 O ATOM 0 H SER A 5 3.540 18.737 13.608 1.00 0.00 H new ATOM 0 HA SER A 5 2.877 19.407 15.623 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.665 21.614 13.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.568 21.642 15.666 1.00 0.00 H new ATOM 0 HG SER A 5 3.425 22.781 14.871 1.00 0.00 H new ATOM 48 N SER A 6 0.603 17.904 14.986 1.00 0.00 N ATOM 49 CA SER A 6 -0.679 17.266 15.264 1.00 0.00 C ATOM 50 C SER A 6 -0.498 15.774 15.525 1.00 0.00 C ATOM 51 O SER A 6 0.589 15.227 15.342 1.00 0.00 O ATOM 52 CB SER A 6 -1.642 17.477 14.094 1.00 0.00 C ATOM 53 OG SER A 6 -2.988 17.320 14.507 1.00 0.00 O ATOM 0 H SER A 6 1.320 17.272 14.630 1.00 0.00 H new ATOM 0 HA SER A 6 -1.099 17.726 16.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.500 18.474 13.677 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.416 16.765 13.300 1.00 0.00 H new ATOM 0 HG SER A 6 -3.584 17.461 13.742 1.00 0.00 H new ATOM 59 N GLY A 7 -1.573 15.120 15.956 1.00 0.00 N ATOM 60 CA GLY A 7 -1.513 13.698 16.237 1.00 0.00 C ATOM 61 C GLY A 7 -1.684 12.853 14.989 1.00 0.00 C ATOM 62 O GLY A 7 -1.941 13.378 13.906 1.00 0.00 O ATOM 0 H GLY A 7 -2.484 15.550 16.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.556 13.463 16.703 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.290 13.440 16.956 1.00 0.00 H new ATOM 66 N VAL A 8 -1.541 11.541 15.141 1.00 0.00 N ATOM 67 CA VAL A 8 -1.681 10.621 14.018 1.00 0.00 C ATOM 68 C VAL A 8 -3.147 10.304 13.747 1.00 0.00 C ATOM 69 O VAL A 8 -4.037 10.808 14.431 1.00 0.00 O ATOM 70 CB VAL A 8 -0.920 9.306 14.271 1.00 0.00 C ATOM 71 CG1 VAL A 8 0.556 9.581 14.516 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.533 8.554 15.443 1.00 0.00 C ATOM 0 H VAL A 8 -1.328 11.091 16.031 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.253 11.117 13.147 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.005 8.680 13.383 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.077 8.640 14.693 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.984 10.074 13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.666 10.226 15.388 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.983 7.627 15.608 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.480 9.172 16.339 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.575 8.323 15.222 1.00 0.00 H new ATOM 82 N GLU A 9 -3.390 9.465 12.745 1.00 0.00 N ATOM 83 CA GLU A 9 -4.749 9.080 12.384 1.00 0.00 C ATOM 84 C GLU A 9 -4.772 7.694 11.747 1.00 0.00 C ATOM 85 O GLU A 9 -3.817 7.288 11.083 1.00 0.00 O ATOM 86 CB GLU A 9 -5.355 10.106 11.423 1.00 0.00 C ATOM 87 CG GLU A 9 -6.795 9.807 11.042 1.00 0.00 C ATOM 88 CD GLU A 9 -7.403 10.886 10.168 1.00 0.00 C ATOM 89 OE1 GLU A 9 -7.976 11.847 10.722 1.00 0.00 O ATOM 90 OE2 GLU A 9 -7.305 10.769 8.928 1.00 0.00 O ATOM 0 H GLU A 9 -2.664 9.039 12.169 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.345 9.051 13.296 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.307 11.094 11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.749 10.145 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.837 8.853 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.392 9.699 11.948 1.00 0.00 H new ATOM 97 N CYS A 10 -5.868 6.972 11.953 1.00 0.00 N ATOM 98 CA CYS A 10 -6.016 5.631 11.401 1.00 0.00 C ATOM 99 C CYS A 10 -6.615 5.684 9.999 1.00 0.00 C ATOM 100 O CYS A 10 -7.746 6.127 9.796 1.00 0.00 O ATOM 101 CB CYS A 10 -6.899 4.776 12.313 1.00 0.00 C ATOM 102 SG CYS A 10 -6.582 2.987 12.189 1.00 0.00 S ATOM 0 H CYS A 10 -6.667 7.294 12.499 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.026 5.179 11.338 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.748 5.090 13.346 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.945 4.967 12.071 1.00 0.00 H new ATOM 107 N PRO A 11 -5.841 5.220 9.006 1.00 0.00 N ATOM 108 CA PRO A 11 -6.274 5.203 7.606 1.00 0.00 C ATOM 109 C PRO A 11 -7.377 4.181 7.353 1.00 0.00 C ATOM 110 O PRO A 11 -7.702 3.873 6.206 1.00 0.00 O ATOM 111 CB PRO A 11 -5.002 4.816 6.847 1.00 0.00 C ATOM 112 CG PRO A 11 -4.184 4.061 7.837 1.00 0.00 C ATOM 113 CD PRO A 11 -4.482 4.677 9.176 1.00 0.00 C ATOM 0 HA PRO A 11 -6.697 6.159 7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.232 4.204 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.472 5.698 6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.441 3.002 7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.122 4.133 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.442 3.938 9.976 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.765 5.459 9.427 1.00 0.00 H new ATOM 121 N THR A 12 -7.952 3.658 8.432 1.00 0.00 N ATOM 122 CA THR A 12 -9.019 2.671 8.327 1.00 0.00 C ATOM 123 C THR A 12 -10.292 3.163 9.004 1.00 0.00 C ATOM 124 O THR A 12 -11.343 3.269 8.372 1.00 0.00 O ATOM 125 CB THR A 12 -8.604 1.327 8.955 1.00 0.00 C ATOM 126 OG1 THR A 12 -7.384 0.866 8.363 1.00 0.00 O ATOM 127 CG2 THR A 12 -9.692 0.282 8.764 1.00 0.00 C ATOM 0 H THR A 12 -7.696 3.902 9.389 1.00 0.00 H new ATOM 0 HA THR A 12 -9.210 2.524 7.264 1.00 0.00 H new ATOM 0 HB THR A 12 -8.454 1.481 10.024 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.126 0.012 8.769 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.376 -0.659 9.216 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.611 0.623 9.240 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.869 0.132 7.699 1.00 0.00 H new ATOM 135 N CYS A 13 -10.192 3.465 10.295 1.00 0.00 N ATOM 136 CA CYS A 13 -11.336 3.947 11.059 1.00 0.00 C ATOM 137 C CYS A 13 -11.277 5.462 11.229 1.00 0.00 C ATOM 138 O CYS A 13 -12.230 6.082 11.703 1.00 0.00 O ATOM 139 CB CYS A 13 -11.382 3.270 12.430 1.00 0.00 C ATOM 140 SG CYS A 13 -10.079 3.825 13.577 1.00 0.00 S ATOM 0 H CYS A 13 -9.330 3.384 10.834 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.242 3.696 10.507 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.355 3.458 12.884 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.297 2.192 12.294 1.00 0.00 H new ATOM 145 N HIS A 14 -10.152 6.053 10.838 1.00 0.00 N ATOM 146 CA HIS A 14 -9.968 7.496 10.946 1.00 0.00 C ATOM 147 C HIS A 14 -9.980 7.937 12.407 1.00 0.00 C ATOM 148 O HIS A 14 -10.594 8.945 12.757 1.00 0.00 O ATOM 149 CB HIS A 14 -11.063 8.230 10.171 1.00 0.00 C ATOM 150 CG HIS A 14 -11.065 7.926 8.705 1.00 0.00 C ATOM 151 ND1 HIS A 14 -10.018 8.248 7.868 1.00 0.00 N ATOM 152 CD2 HIS A 14 -11.995 7.324 7.926 1.00 0.00 C ATOM 153 CE1 HIS A 14 -10.304 7.859 6.638 1.00 0.00 C ATOM 154 NE2 HIS A 14 -11.497 7.295 6.647 1.00 0.00 N ATOM 0 H HIS A 14 -9.354 5.555 10.444 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.998 7.747 10.517 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -12.034 7.965 10.590 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.938 9.304 10.311 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.950 6.939 8.250 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.669 7.982 5.773 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.972 6.901 5.835 1.00 0.00 H new ATOM 162 N LYS A 15 -9.297 7.175 13.255 1.00 0.00 N ATOM 163 CA LYS A 15 -9.227 7.487 14.678 1.00 0.00 C ATOM 164 C LYS A 15 -7.875 8.095 15.036 1.00 0.00 C ATOM 165 O LYS A 15 -6.853 7.409 15.033 1.00 0.00 O ATOM 166 CB LYS A 15 -9.467 6.225 15.509 1.00 0.00 C ATOM 167 CG LYS A 15 -9.473 6.476 17.007 1.00 0.00 C ATOM 168 CD LYS A 15 -10.096 5.316 17.765 1.00 0.00 C ATOM 169 CE LYS A 15 -11.603 5.480 17.894 1.00 0.00 C ATOM 170 NZ LYS A 15 -11.964 6.502 18.915 1.00 0.00 N ATOM 0 H LYS A 15 -8.784 6.337 12.981 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.004 8.217 14.904 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.421 5.785 15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.694 5.493 15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.452 6.632 17.355 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.026 7.391 17.221 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.873 4.382 17.250 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.650 5.247 18.757 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.021 5.767 16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.051 4.523 18.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.985 6.454 19.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.437 6.318 19.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.723 7.449 18.559 1.00 0.00 H new ATOM 184 N LYS A 16 -7.876 9.388 15.345 1.00 0.00 N ATOM 185 CA LYS A 16 -6.650 10.089 15.709 1.00 0.00 C ATOM 186 C LYS A 16 -6.244 9.767 17.143 1.00 0.00 C ATOM 187 O LYS A 16 -7.091 9.676 18.033 1.00 0.00 O ATOM 188 CB LYS A 16 -6.835 11.599 15.546 1.00 0.00 C ATOM 189 CG LYS A 16 -6.996 12.041 14.102 1.00 0.00 C ATOM 190 CD LYS A 16 -6.352 13.395 13.858 1.00 0.00 C ATOM 191 CE LYS A 16 -6.799 13.994 12.533 1.00 0.00 C ATOM 192 NZ LYS A 16 -6.067 15.252 12.218 1.00 0.00 N ATOM 0 H LYS A 16 -8.713 9.972 15.351 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.856 9.752 15.042 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.712 11.912 16.113 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.976 12.111 15.980 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.547 11.299 13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.056 12.091 13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.610 14.074 14.671 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.267 13.289 13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.637 13.270 11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.870 14.196 12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.400 15.629 11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.241 15.952 12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.048 15.055 12.159 1.00 0.00 H new ATOM 206 N PHE A 17 -4.945 9.597 17.362 1.00 0.00 N ATOM 207 CA PHE A 17 -4.427 9.286 18.689 1.00 0.00 C ATOM 208 C PHE A 17 -3.310 10.251 19.077 1.00 0.00 C ATOM 209 O PHE A 17 -2.698 10.887 18.218 1.00 0.00 O ATOM 210 CB PHE A 17 -3.910 7.846 18.733 1.00 0.00 C ATOM 211 CG PHE A 17 -4.974 6.819 18.473 1.00 0.00 C ATOM 212 CD1 PHE A 17 -5.385 6.539 17.179 1.00 0.00 C ATOM 213 CD2 PHE A 17 -5.565 6.133 19.522 1.00 0.00 C ATOM 214 CE1 PHE A 17 -6.364 5.594 16.936 1.00 0.00 C ATOM 215 CE2 PHE A 17 -6.544 5.186 19.285 1.00 0.00 C ATOM 216 CZ PHE A 17 -6.945 4.918 17.991 1.00 0.00 C ATOM 0 H PHE A 17 -4.231 9.669 16.637 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.242 9.395 19.405 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.117 7.731 17.994 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.466 7.658 19.710 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.935 7.066 16.351 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.257 6.340 20.536 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.674 5.385 15.923 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.995 4.656 20.111 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.712 4.181 17.804 1.00 0.00 H new ATOM 226 N LEU A 18 -3.052 10.355 20.376 1.00 0.00 N ATOM 227 CA LEU A 18 -2.010 11.243 20.880 1.00 0.00 C ATOM 228 C LEU A 18 -0.702 11.031 20.123 1.00 0.00 C ATOM 229 O LEU A 18 -0.225 11.926 19.426 1.00 0.00 O ATOM 230 CB LEU A 18 -1.791 11.008 22.375 1.00 0.00 C ATOM 231 CG LEU A 18 -3.039 11.079 23.255 1.00 0.00 C ATOM 232 CD1 LEU A 18 -2.797 10.378 24.583 1.00 0.00 C ATOM 233 CD2 LEU A 18 -3.450 12.527 23.482 1.00 0.00 C ATOM 0 H LEU A 18 -3.550 9.836 21.099 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.336 12.271 20.725 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.334 10.027 22.505 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.073 11.744 22.737 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.852 10.567 22.740 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.696 10.439 25.196 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.551 9.332 24.403 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.970 10.860 25.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.340 12.558 24.110 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.639 13.062 23.975 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.666 12.998 22.523 1.00 0.00 H new ATOM 245 N SER A 19 -0.128 9.841 20.266 1.00 0.00 N ATOM 246 CA SER A 19 1.126 9.512 19.597 1.00 0.00 C ATOM 247 C SER A 19 0.982 8.241 18.767 1.00 0.00 C ATOM 248 O SER A 19 0.180 7.363 19.087 1.00 0.00 O ATOM 249 CB SER A 19 2.246 9.340 20.625 1.00 0.00 C ATOM 250 OG SER A 19 3.519 9.512 20.026 1.00 0.00 O ATOM 0 H SER A 19 -0.511 9.089 20.839 1.00 0.00 H new ATOM 0 HA SER A 19 1.379 10.334 18.928 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.119 10.063 21.430 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.183 8.349 21.074 1.00 0.00 H new ATOM 0 HG SER A 19 4.218 9.399 20.704 1.00 0.00 H new ATOM 256 N LYS A 20 1.765 8.148 17.698 1.00 0.00 N ATOM 257 CA LYS A 20 1.727 6.984 16.820 1.00 0.00 C ATOM 258 C LYS A 20 1.706 5.692 17.630 1.00 0.00 C ATOM 259 O LYS A 20 0.917 4.788 17.354 1.00 0.00 O ATOM 260 CB LYS A 20 2.935 6.990 15.880 1.00 0.00 C ATOM 261 CG LYS A 20 2.794 6.042 14.702 1.00 0.00 C ATOM 262 CD LYS A 20 2.067 6.700 13.541 1.00 0.00 C ATOM 263 CE LYS A 20 2.976 7.659 12.787 1.00 0.00 C ATOM 264 NZ LYS A 20 2.307 8.226 11.583 1.00 0.00 N ATOM 0 H LYS A 20 2.434 8.865 17.418 1.00 0.00 H new ATOM 0 HA LYS A 20 0.813 7.036 16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.088 8.002 15.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.827 6.722 16.446 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.782 5.716 14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.251 5.150 15.014 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.699 5.933 12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.196 7.239 13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.279 8.470 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.885 7.137 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.959 8.874 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.041 7.455 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.454 8.745 11.872 1.00 0.00 H new ATOM 278 N TYR A 21 2.576 5.612 18.630 1.00 0.00 N ATOM 279 CA TYR A 21 2.658 4.430 19.480 1.00 0.00 C ATOM 280 C TYR A 21 1.271 3.847 19.736 1.00 0.00 C ATOM 281 O TYR A 21 1.091 2.629 19.753 1.00 0.00 O ATOM 282 CB TYR A 21 3.331 4.777 20.809 1.00 0.00 C ATOM 283 CG TYR A 21 3.200 3.693 21.855 1.00 0.00 C ATOM 284 CD1 TYR A 21 4.149 2.684 21.960 1.00 0.00 C ATOM 285 CD2 TYR A 21 2.128 3.679 22.739 1.00 0.00 C ATOM 286 CE1 TYR A 21 4.033 1.691 22.914 1.00 0.00 C ATOM 287 CE2 TYR A 21 2.005 2.691 23.696 1.00 0.00 C ATOM 288 CZ TYR A 21 2.959 1.699 23.780 1.00 0.00 C ATOM 289 OH TYR A 21 2.841 0.712 24.732 1.00 0.00 O ATOM 0 H TYR A 21 3.235 6.352 18.872 1.00 0.00 H new ATOM 0 HA TYR A 21 3.258 3.682 18.962 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.388 4.973 20.631 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.897 5.699 21.197 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.992 2.675 21.285 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.378 4.454 22.677 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.779 0.913 22.981 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.166 2.695 24.375 1.00 0.00 H new ATOM 0 HH TYR A 21 2.030 0.863 25.261 1.00 0.00 H new ATOM 299 N TYR A 22 0.295 4.726 19.935 1.00 0.00 N ATOM 300 CA TYR A 22 -1.076 4.300 20.193 1.00 0.00 C ATOM 301 C TYR A 22 -1.758 3.851 18.904 1.00 0.00 C ATOM 302 O TYR A 22 -2.544 2.903 18.901 1.00 0.00 O ATOM 303 CB TYR A 22 -1.872 5.436 20.836 1.00 0.00 C ATOM 304 CG TYR A 22 -1.476 5.719 22.267 1.00 0.00 C ATOM 305 CD1 TYR A 22 -1.388 4.693 23.200 1.00 0.00 C ATOM 306 CD2 TYR A 22 -1.189 7.012 22.687 1.00 0.00 C ATOM 307 CE1 TYR A 22 -1.027 4.947 24.509 1.00 0.00 C ATOM 308 CE2 TYR A 22 -0.826 7.275 23.994 1.00 0.00 C ATOM 309 CZ TYR A 22 -0.746 6.239 24.901 1.00 0.00 C ATOM 310 OH TYR A 22 -0.386 6.497 26.204 1.00 0.00 O ATOM 0 H TYR A 22 0.427 5.737 19.923 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.044 3.454 20.879 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.738 6.342 20.245 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.933 5.188 20.804 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.606 3.680 22.897 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.251 7.826 21.980 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.965 4.138 25.222 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.606 8.286 24.304 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.221 7.457 26.314 1.00 0.00 H new ATOM 320 N LEU A 23 -1.451 4.539 17.810 1.00 0.00 N ATOM 321 CA LEU A 23 -2.033 4.213 16.512 1.00 0.00 C ATOM 322 C LEU A 23 -1.534 2.859 16.017 1.00 0.00 C ATOM 323 O LEU A 23 -2.316 2.027 15.557 1.00 0.00 O ATOM 324 CB LEU A 23 -1.692 5.299 15.491 1.00 0.00 C ATOM 325 CG LEU A 23 -1.973 4.956 14.027 1.00 0.00 C ATOM 326 CD1 LEU A 23 -3.470 4.831 13.786 1.00 0.00 C ATOM 327 CD2 LEU A 23 -1.370 6.008 13.108 1.00 0.00 C ATOM 0 H LEU A 23 -0.802 5.326 17.795 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.115 4.160 16.629 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.252 6.199 15.747 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.634 5.543 15.590 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.508 3.996 13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.651 4.587 12.739 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.876 4.041 14.418 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.958 5.775 14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.580 5.748 12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.806 6.981 13.333 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.292 6.050 13.261 1.00 0.00 H new ATOM 339 N LYS A 24 -0.227 2.644 16.116 1.00 0.00 N ATOM 340 CA LYS A 24 0.378 1.390 15.681 1.00 0.00 C ATOM 341 C LYS A 24 -0.166 0.215 16.488 1.00 0.00 C ATOM 342 O LYS A 24 -0.395 -0.868 15.949 1.00 0.00 O ATOM 343 CB LYS A 24 1.900 1.458 15.823 1.00 0.00 C ATOM 344 CG LYS A 24 2.374 1.550 17.263 1.00 0.00 C ATOM 345 CD LYS A 24 3.887 1.660 17.347 1.00 0.00 C ATOM 346 CE LYS A 24 4.422 1.032 18.625 1.00 0.00 C ATOM 347 NZ LYS A 24 5.905 0.908 18.602 1.00 0.00 N ATOM 0 H LYS A 24 0.435 3.322 16.494 1.00 0.00 H new ATOM 0 HA LYS A 24 0.123 1.237 14.632 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.339 0.574 15.361 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.269 2.323 15.272 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.918 2.417 17.742 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.041 0.670 17.813 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.337 1.170 16.484 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.179 2.709 17.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.121 1.637 19.481 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.977 0.046 18.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.231 0.476 19.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.191 0.310 17.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.331 1.851 18.499 1.00 0.00 H new ATOM 361 N VAL A 25 -0.373 0.437 17.782 1.00 0.00 N ATOM 362 CA VAL A 25 -0.894 -0.602 18.663 1.00 0.00 C ATOM 363 C VAL A 25 -2.375 -0.851 18.403 1.00 0.00 C ATOM 364 O VAL A 25 -2.839 -1.991 18.438 1.00 0.00 O ATOM 365 CB VAL A 25 -0.699 -0.231 20.145 1.00 0.00 C ATOM 366 CG1 VAL A 25 -1.407 -1.234 21.043 1.00 0.00 C ATOM 367 CG2 VAL A 25 0.782 -0.153 20.483 1.00 0.00 C ATOM 0 H VAL A 25 -0.188 1.327 18.244 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.333 -1.511 18.447 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.140 0.751 20.318 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.259 -0.956 22.087 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.473 -1.236 20.816 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.997 -2.229 20.871 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.902 0.110 21.534 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.249 -1.120 20.295 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.257 0.606 19.862 1.00 0.00 H new ATOM 377 N HIS A 26 -3.113 0.223 18.142 1.00 0.00 N ATOM 378 CA HIS A 26 -4.544 0.121 17.875 1.00 0.00 C ATOM 379 C HIS A 26 -4.798 -0.537 16.522 1.00 0.00 C ATOM 380 O HIS A 26 -5.608 -1.456 16.410 1.00 0.00 O ATOM 381 CB HIS A 26 -5.191 1.505 17.912 1.00 0.00 C ATOM 382 CG HIS A 26 -6.399 1.626 17.035 1.00 0.00 C ATOM 383 ND1 HIS A 26 -7.689 1.539 17.515 1.00 0.00 N ATOM 384 CD2 HIS A 26 -6.508 1.829 15.701 1.00 0.00 C ATOM 385 CE1 HIS A 26 -8.539 1.682 16.514 1.00 0.00 C ATOM 386 NE2 HIS A 26 -7.848 1.859 15.402 1.00 0.00 N ATOM 0 H HIS A 26 -2.745 1.174 18.110 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.990 -0.501 18.651 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.473 1.738 18.939 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.455 2.249 17.607 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -7.946 1.388 18.490 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.693 1.946 15.002 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -9.616 1.658 16.591 1.00 0.00 H new ATOM 394 N ASN A 27 -4.101 -0.058 15.496 1.00 0.00 N ATOM 395 CA ASN A 27 -4.253 -0.598 14.150 1.00 0.00 C ATOM 396 C ASN A 27 -4.247 -2.124 14.173 1.00 0.00 C ATOM 397 O ASN A 27 -5.051 -2.768 13.498 1.00 0.00 O ATOM 398 CB ASN A 27 -3.133 -0.086 13.243 1.00 0.00 C ATOM 399 CG ASN A 27 -2.861 -1.017 12.077 1.00 0.00 C ATOM 400 OD1 ASN A 27 -3.625 -1.060 11.112 1.00 0.00 O ATOM 401 ND2 ASN A 27 -1.770 -1.769 12.162 1.00 0.00 N ATOM 0 H ASN A 27 -3.426 0.703 15.571 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.212 -0.262 13.756 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.400 0.900 12.862 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.222 0.034 13.829 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.536 -2.416 11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.166 -1.700 12.981 1.00 0.00 H new ATOM 408 N ARG A 28 -3.337 -2.695 14.954 1.00 0.00 N ATOM 409 CA ARG A 28 -3.226 -4.145 15.064 1.00 0.00 C ATOM 410 C ARG A 28 -4.593 -4.807 14.923 1.00 0.00 C ATOM 411 O ARG A 28 -4.726 -5.854 14.290 1.00 0.00 O ATOM 412 CB ARG A 28 -2.597 -4.529 16.405 1.00 0.00 C ATOM 413 CG ARG A 28 -1.104 -4.256 16.478 1.00 0.00 C ATOM 414 CD ARG A 28 -0.602 -4.280 17.913 1.00 0.00 C ATOM 415 NE ARG A 28 -0.772 -5.593 18.530 1.00 0.00 N ATOM 416 CZ ARG A 28 -0.041 -6.025 19.552 1.00 0.00 C ATOM 417 NH1 ARG A 28 0.904 -5.252 20.068 1.00 0.00 N ATOM 418 NH2 ARG A 28 -0.256 -7.232 20.059 1.00 0.00 N ATOM 0 H ARG A 28 -2.666 -2.176 15.520 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.586 -4.498 14.256 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.098 -3.979 17.202 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.773 -5.589 16.589 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.568 -5.002 15.891 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.889 -3.285 16.032 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.452 -4.004 17.933 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.139 -3.533 18.497 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.491 -6.212 18.156 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.071 -4.323 19.681 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.464 -5.586 20.853 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.983 -7.829 19.664 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.306 -7.563 20.844 1.00 0.00 H new ATOM 432 N LYS A 29 -5.608 -4.189 15.518 1.00 0.00 N ATOM 433 CA LYS A 29 -6.966 -4.717 15.459 1.00 0.00 C ATOM 434 C LYS A 29 -7.427 -4.873 14.014 1.00 0.00 C ATOM 435 O LYS A 29 -7.863 -5.949 13.603 1.00 0.00 O ATOM 436 CB LYS A 29 -7.926 -3.796 16.215 1.00 0.00 C ATOM 437 CG LYS A 29 -7.697 -3.779 17.717 1.00 0.00 C ATOM 438 CD LYS A 29 -8.976 -3.458 18.472 1.00 0.00 C ATOM 439 CE LYS A 29 -8.681 -2.798 19.811 1.00 0.00 C ATOM 440 NZ LYS A 29 -8.444 -3.802 20.884 1.00 0.00 N ATOM 0 H LYS A 29 -5.516 -3.322 16.047 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.968 -5.700 15.930 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.823 -2.782 15.829 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.950 -4.110 16.016 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.317 -4.748 18.039 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.934 -3.040 17.961 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.600 -2.798 17.869 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.544 -4.374 18.634 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.805 -2.156 19.714 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.517 -2.157 20.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.247 -3.312 21.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.289 -4.398 20.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.631 -4.398 20.629 1.00 0.00 H new ATOM 454 N HIS A 30 -7.326 -3.793 13.245 1.00 0.00 N ATOM 455 CA HIS A 30 -7.731 -3.811 11.844 1.00 0.00 C ATOM 456 C HIS A 30 -7.042 -4.947 11.094 1.00 0.00 C ATOM 457 O HIS A 30 -7.684 -5.700 10.361 1.00 0.00 O ATOM 458 CB HIS A 30 -7.403 -2.473 11.180 1.00 0.00 C ATOM 459 CG HIS A 30 -8.259 -1.341 11.658 1.00 0.00 C ATOM 460 ND1 HIS A 30 -9.634 -1.418 11.738 1.00 0.00 N ATOM 461 CD2 HIS A 30 -7.928 -0.100 12.086 1.00 0.00 C ATOM 462 CE1 HIS A 30 -10.111 -0.273 12.192 1.00 0.00 C ATOM 463 NE2 HIS A 30 -9.096 0.544 12.411 1.00 0.00 N ATOM 0 H HIS A 30 -6.967 -2.895 13.569 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.808 -3.974 11.804 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.357 -2.231 11.367 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.518 -2.574 10.101 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -10.195 -2.232 11.486 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.930 0.308 12.158 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.153 -0.044 12.356 1.00 0.00 H new ATOM 471 N THR A 31 -5.731 -5.064 11.282 1.00 0.00 N ATOM 472 CA THR A 31 -4.955 -6.107 10.622 1.00 0.00 C ATOM 473 C THR A 31 -5.278 -7.480 11.199 1.00 0.00 C ATOM 474 O THR A 31 -5.102 -7.720 12.393 1.00 0.00 O ATOM 475 CB THR A 31 -3.442 -5.849 10.754 1.00 0.00 C ATOM 476 OG1 THR A 31 -3.062 -5.859 12.134 1.00 0.00 O ATOM 477 CG2 THR A 31 -3.064 -4.516 10.128 1.00 0.00 C ATOM 0 H THR A 31 -5.185 -4.450 11.886 1.00 0.00 H new ATOM 0 HA THR A 31 -5.229 -6.086 9.567 1.00 0.00 H new ATOM 0 HB THR A 31 -2.913 -6.643 10.227 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.854 -6.013 12.690 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.991 -4.356 10.233 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.328 -4.523 9.070 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.602 -3.712 10.631 1.00 0.00 H new ATOM 485 N GLY A 32 -5.750 -8.381 10.342 1.00 0.00 N ATOM 486 CA GLY A 32 -6.089 -9.721 10.786 1.00 0.00 C ATOM 487 C GLY A 32 -5.652 -10.786 9.800 1.00 0.00 C ATOM 488 O GLY A 32 -6.021 -10.744 8.627 1.00 0.00 O ATOM 0 H GLY A 32 -5.904 -8.207 9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.620 -9.910 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.166 -9.789 10.936 1.00 0.00 H new ATOM 492 N GLU A 33 -4.861 -11.743 10.276 1.00 0.00 N ATOM 493 CA GLU A 33 -4.371 -12.822 9.426 1.00 0.00 C ATOM 494 C GLU A 33 -5.183 -14.096 9.643 1.00 0.00 C ATOM 495 O GLU A 33 -6.080 -14.139 10.485 1.00 0.00 O ATOM 496 CB GLU A 33 -2.892 -13.092 9.709 1.00 0.00 C ATOM 497 CG GLU A 33 -1.950 -12.175 8.947 1.00 0.00 C ATOM 498 CD GLU A 33 -0.491 -12.533 9.157 1.00 0.00 C ATOM 499 OE1 GLU A 33 -0.005 -13.461 8.478 1.00 0.00 O ATOM 500 OE2 GLU A 33 0.164 -11.885 10.000 1.00 0.00 O ATOM 0 H GLU A 33 -4.546 -11.793 11.245 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.484 -12.512 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.709 -12.980 10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.665 -14.127 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.183 -12.224 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.117 -11.145 9.263 1.00 0.00 H new ATOM 507 N LYS A 34 -4.861 -15.133 8.877 1.00 0.00 N ATOM 508 CA LYS A 34 -5.558 -16.409 8.984 1.00 0.00 C ATOM 509 C LYS A 34 -4.582 -17.536 9.305 1.00 0.00 C ATOM 510 O LYS A 34 -3.442 -17.554 8.839 1.00 0.00 O ATOM 511 CB LYS A 34 -6.301 -16.718 7.683 1.00 0.00 C ATOM 512 CG LYS A 34 -7.611 -15.963 7.536 1.00 0.00 C ATOM 513 CD LYS A 34 -8.551 -16.660 6.566 1.00 0.00 C ATOM 514 CE LYS A 34 -9.998 -16.257 6.806 1.00 0.00 C ATOM 515 NZ LYS A 34 -10.237 -14.825 6.476 1.00 0.00 N ATOM 0 H LYS A 34 -4.121 -15.114 8.175 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.279 -16.334 9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.655 -16.475 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.501 -17.788 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.092 -15.874 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.411 -14.950 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.268 -16.413 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.450 -17.740 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.654 -16.883 6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.257 -16.437 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.234 -14.590 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.629 -14.226 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.014 -14.658 5.474 1.00 0.00 H new ATOM 529 N PRO A 35 -5.037 -18.502 10.117 1.00 0.00 N ATOM 530 CA PRO A 35 -4.221 -19.652 10.516 1.00 0.00 C ATOM 531 C PRO A 35 -3.966 -20.611 9.358 1.00 0.00 C ATOM 532 O PRO A 35 -3.331 -21.652 9.530 1.00 0.00 O ATOM 533 CB PRO A 35 -5.067 -20.330 11.596 1.00 0.00 C ATOM 534 CG PRO A 35 -6.468 -19.930 11.287 1.00 0.00 C ATOM 535 CD PRO A 35 -6.385 -18.545 10.709 1.00 0.00 C ATOM 0 HA PRO A 35 -3.231 -19.350 10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.950 -21.413 11.569 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.773 -20.002 12.593 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.924 -20.622 10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.084 -19.941 12.186 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.158 -18.375 9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.511 -17.781 11.476 1.00 0.00 H new ATOM 543 N PHE A 36 -4.464 -20.254 8.179 1.00 0.00 N ATOM 544 CA PHE A 36 -4.290 -21.083 6.993 1.00 0.00 C ATOM 545 C PHE A 36 -4.099 -20.221 5.749 1.00 0.00 C ATOM 546 O PHE A 36 -4.811 -19.238 5.548 1.00 0.00 O ATOM 547 CB PHE A 36 -5.498 -22.004 6.807 1.00 0.00 C ATOM 548 CG PHE A 36 -5.819 -22.825 8.024 1.00 0.00 C ATOM 549 CD1 PHE A 36 -5.189 -24.040 8.242 1.00 0.00 C ATOM 550 CD2 PHE A 36 -6.749 -22.381 8.950 1.00 0.00 C ATOM 551 CE1 PHE A 36 -5.482 -24.797 9.360 1.00 0.00 C ATOM 552 CE2 PHE A 36 -7.046 -23.134 10.070 1.00 0.00 C ATOM 553 CZ PHE A 36 -6.411 -24.343 10.276 1.00 0.00 C ATOM 0 H PHE A 36 -4.992 -19.396 8.020 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.396 -21.690 7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.368 -21.401 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.309 -22.672 5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.461 -24.399 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.248 -21.436 8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.985 -25.743 9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.774 -22.777 10.784 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.640 -24.932 11.152 1.00 0.00 H new ATOM 563 N GLU A 37 -3.131 -20.597 4.918 1.00 0.00 N ATOM 564 CA GLU A 37 -2.845 -19.857 3.695 1.00 0.00 C ATOM 565 C GLU A 37 -2.193 -20.760 2.652 1.00 0.00 C ATOM 566 O GLU A 37 -1.588 -21.779 2.988 1.00 0.00 O ATOM 567 CB GLU A 37 -1.934 -18.665 3.995 1.00 0.00 C ATOM 568 CG GLU A 37 -1.598 -17.832 2.769 1.00 0.00 C ATOM 569 CD GLU A 37 -1.125 -16.436 3.125 1.00 0.00 C ATOM 570 OE1 GLU A 37 0.024 -16.299 3.595 1.00 0.00 O ATOM 571 OE2 GLU A 37 -1.904 -15.479 2.932 1.00 0.00 O ATOM 0 H GLU A 37 -2.533 -21.409 5.070 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.790 -19.491 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.416 -18.027 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.009 -19.029 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.824 -18.338 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.478 -17.762 2.130 1.00 0.00 H new ATOM 578 N CYS A 38 -2.321 -20.380 1.386 1.00 0.00 N ATOM 579 CA CYS A 38 -1.746 -21.154 0.293 1.00 0.00 C ATOM 580 C CYS A 38 -0.238 -20.933 0.203 1.00 0.00 C ATOM 581 O CYS A 38 0.236 -19.842 -0.115 1.00 0.00 O ATOM 582 CB CYS A 38 -2.408 -20.774 -1.033 1.00 0.00 C ATOM 583 SG CYS A 38 -1.973 -21.869 -2.422 1.00 0.00 S ATOM 0 H CYS A 38 -2.818 -19.540 1.091 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.929 -22.210 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.490 -20.783 -0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.126 -19.752 -1.288 1.00 0.00 H new ATOM 588 N PRO A 39 0.533 -21.992 0.490 1.00 0.00 N ATOM 589 CA PRO A 39 1.998 -21.938 0.448 1.00 0.00 C ATOM 590 C PRO A 39 2.533 -21.810 -0.974 1.00 0.00 C ATOM 591 O PRO A 39 3.744 -21.786 -1.193 1.00 0.00 O ATOM 592 CB PRO A 39 2.419 -23.277 1.059 1.00 0.00 C ATOM 593 CG PRO A 39 1.265 -24.186 0.812 1.00 0.00 C ATOM 594 CD PRO A 39 0.036 -23.322 0.877 1.00 0.00 C ATOM 0 HA PRO A 39 2.389 -21.070 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.328 -23.656 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.624 -23.179 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.351 -24.670 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.225 -24.978 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.739 -23.675 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.397 -23.314 1.877 1.00 0.00 H new ATOM 602 N LYS A 40 1.623 -21.728 -1.939 1.00 0.00 N ATOM 603 CA LYS A 40 2.002 -21.600 -3.341 1.00 0.00 C ATOM 604 C LYS A 40 1.944 -20.144 -3.789 1.00 0.00 C ATOM 605 O LYS A 40 2.792 -19.685 -4.555 1.00 0.00 O ATOM 606 CB LYS A 40 1.083 -22.453 -4.219 1.00 0.00 C ATOM 607 CG LYS A 40 1.060 -23.921 -3.830 1.00 0.00 C ATOM 608 CD LYS A 40 2.255 -24.667 -4.400 1.00 0.00 C ATOM 609 CE LYS A 40 2.535 -25.946 -3.626 1.00 0.00 C ATOM 610 NZ LYS A 40 1.465 -26.962 -3.828 1.00 0.00 N ATOM 0 H LYS A 40 0.616 -21.748 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 40 3.027 -21.954 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.070 -22.055 -4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.403 -22.366 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.058 -24.011 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.139 -24.379 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.070 -24.907 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.134 -24.023 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.493 -26.359 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.622 -25.716 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.814 -27.897 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.634 -26.709 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.199 -26.991 -4.833 1.00 0.00 H new ATOM 624 N CYS A 41 0.939 -19.420 -3.307 1.00 0.00 N ATOM 625 CA CYS A 41 0.771 -18.015 -3.657 1.00 0.00 C ATOM 626 C CYS A 41 0.710 -17.146 -2.404 1.00 0.00 C ATOM 627 O CYS A 41 1.364 -16.107 -2.324 1.00 0.00 O ATOM 628 CB CYS A 41 -0.500 -17.823 -4.487 1.00 0.00 C ATOM 629 SG CYS A 41 -2.012 -18.446 -3.684 1.00 0.00 S ATOM 0 H CYS A 41 0.228 -19.784 -2.672 1.00 0.00 H new ATOM 0 HA CYS A 41 1.633 -17.708 -4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.625 -16.761 -4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.376 -18.328 -5.445 1.00 0.00 H new ATOM 634 N GLY A 42 -0.081 -17.579 -1.428 1.00 0.00 N ATOM 635 CA GLY A 42 -0.213 -16.830 -0.192 1.00 0.00 C ATOM 636 C GLY A 42 -1.613 -16.283 0.007 1.00 0.00 C ATOM 637 O GLY A 42 -1.788 -15.115 0.355 1.00 0.00 O ATOM 0 H GLY A 42 -0.633 -18.436 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.045 -17.474 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.500 -16.005 -0.193 1.00 0.00 H new ATOM 641 N LYS A 43 -2.614 -17.128 -0.215 1.00 0.00 N ATOM 642 CA LYS A 43 -4.006 -16.724 -0.058 1.00 0.00 C ATOM 643 C LYS A 43 -4.581 -17.248 1.254 1.00 0.00 C ATOM 644 O LYS A 43 -4.540 -18.449 1.524 1.00 0.00 O ATOM 645 CB LYS A 43 -4.842 -17.234 -1.234 1.00 0.00 C ATOM 646 CG LYS A 43 -6.289 -16.773 -1.197 1.00 0.00 C ATOM 647 CD LYS A 43 -6.437 -15.357 -1.728 1.00 0.00 C ATOM 648 CE LYS A 43 -7.807 -15.135 -2.349 1.00 0.00 C ATOM 649 NZ LYS A 43 -7.896 -15.714 -3.719 1.00 0.00 N ATOM 0 H LYS A 43 -2.487 -18.098 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.042 -15.635 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.386 -16.898 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.817 -18.324 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.903 -17.451 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.660 -16.819 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.285 -14.645 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.664 -15.163 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.571 -15.585 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.017 -14.066 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.845 -15.542 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.184 -15.267 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.721 -16.738 -3.675 1.00 0.00 H new ATOM 663 N CYS A 44 -5.117 -16.342 2.064 1.00 0.00 N ATOM 664 CA CYS A 44 -5.701 -16.714 3.347 1.00 0.00 C ATOM 665 C CYS A 44 -7.028 -17.439 3.151 1.00 0.00 C ATOM 666 O CYS A 44 -7.767 -17.157 2.208 1.00 0.00 O ATOM 667 CB CYS A 44 -5.907 -15.473 4.216 1.00 0.00 C ATOM 668 SG CYS A 44 -6.887 -14.174 3.428 1.00 0.00 S ATOM 0 H CYS A 44 -5.159 -15.345 1.855 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.010 -17.390 3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.396 -15.770 5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.933 -15.065 4.485 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.008 -13.167 4.242 1.00 0.00 H new ATOM 674 N TYR A 45 -7.323 -18.375 4.047 1.00 0.00 N ATOM 675 CA TYR A 45 -8.560 -19.143 3.970 1.00 0.00 C ATOM 676 C TYR A 45 -8.999 -19.609 5.355 1.00 0.00 C ATOM 677 O TYR A 45 -8.304 -20.384 6.012 1.00 0.00 O ATOM 678 CB TYR A 45 -8.379 -20.350 3.048 1.00 0.00 C ATOM 679 CG TYR A 45 -8.783 -20.084 1.616 1.00 0.00 C ATOM 680 CD1 TYR A 45 -10.117 -20.141 1.228 1.00 0.00 C ATOM 681 CD2 TYR A 45 -7.833 -19.776 0.650 1.00 0.00 C ATOM 682 CE1 TYR A 45 -10.491 -19.900 -0.080 1.00 0.00 C ATOM 683 CE2 TYR A 45 -8.199 -19.532 -0.660 1.00 0.00 C ATOM 684 CZ TYR A 45 -9.529 -19.595 -1.019 1.00 0.00 C ATOM 685 OH TYR A 45 -9.897 -19.353 -2.323 1.00 0.00 O ATOM 0 H TYR A 45 -6.723 -18.620 4.834 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.335 -18.495 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.334 -20.660 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.967 -21.183 3.434 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.874 -20.378 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.791 -19.726 0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.531 -19.950 -0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.448 -19.293 -1.398 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.100 -19.152 -2.856 1.00 0.00 H new ATOM 695 N PHE A 46 -10.159 -19.130 5.793 1.00 0.00 N ATOM 696 CA PHE A 46 -10.693 -19.496 7.100 1.00 0.00 C ATOM 697 C PHE A 46 -10.544 -20.994 7.348 1.00 0.00 C ATOM 698 O PHE A 46 -9.925 -21.414 8.325 1.00 0.00 O ATOM 699 CB PHE A 46 -12.165 -19.093 7.203 1.00 0.00 C ATOM 700 CG PHE A 46 -12.651 -18.957 8.618 1.00 0.00 C ATOM 701 CD1 PHE A 46 -11.930 -18.221 9.544 1.00 0.00 C ATOM 702 CD2 PHE A 46 -13.829 -19.565 9.022 1.00 0.00 C ATOM 703 CE1 PHE A 46 -12.374 -18.093 10.847 1.00 0.00 C ATOM 704 CE2 PHE A 46 -14.278 -19.440 10.323 1.00 0.00 C ATOM 705 CZ PHE A 46 -13.550 -18.704 11.237 1.00 0.00 C ATOM 0 H PHE A 46 -10.747 -18.488 5.262 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.124 -18.962 7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.311 -18.146 6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.774 -19.836 6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.010 -17.741 9.244 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.402 -20.143 8.312 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.802 -17.516 11.559 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -15.198 -19.918 10.625 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.899 -18.606 12.254 1.00 0.00 H new ATOM 715 N ARG A 47 -11.118 -21.795 6.456 1.00 0.00 N ATOM 716 CA ARG A 47 -11.052 -23.246 6.578 1.00 0.00 C ATOM 717 C ARG A 47 -9.939 -23.815 5.702 1.00 0.00 C ATOM 718 O ARG A 47 -9.618 -23.263 4.650 1.00 0.00 O ATOM 719 CB ARG A 47 -12.392 -23.874 6.191 1.00 0.00 C ATOM 720 CG ARG A 47 -13.541 -23.462 7.097 1.00 0.00 C ATOM 721 CD ARG A 47 -13.569 -24.290 8.372 1.00 0.00 C ATOM 722 NE ARG A 47 -13.857 -25.697 8.105 1.00 0.00 N ATOM 723 CZ ARG A 47 -13.696 -26.663 9.003 1.00 0.00 C ATOM 724 NH1 ARG A 47 -13.253 -26.376 10.219 1.00 0.00 N ATOM 725 NH2 ARG A 47 -13.980 -27.920 8.685 1.00 0.00 N ATOM 0 H ARG A 47 -11.634 -21.463 5.641 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.833 -23.488 7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.632 -23.595 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.295 -24.959 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.446 -22.406 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.485 -23.579 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.608 -24.207 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.323 -23.888 9.049 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.200 -25.952 7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.035 -25.411 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.131 -27.120 10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.322 -28.145 7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.856 -28.661 9.375 1.00 0.00 H new ATOM 739 N LYS A 48 -9.354 -24.924 6.144 1.00 0.00 N ATOM 740 CA LYS A 48 -8.279 -25.570 5.401 1.00 0.00 C ATOM 741 C LYS A 48 -8.822 -26.288 4.170 1.00 0.00 C ATOM 742 O LYS A 48 -8.354 -26.066 3.054 1.00 0.00 O ATOM 743 CB LYS A 48 -7.536 -26.563 6.298 1.00 0.00 C ATOM 744 CG LYS A 48 -6.089 -26.785 5.893 1.00 0.00 C ATOM 745 CD LYS A 48 -5.400 -27.781 6.810 1.00 0.00 C ATOM 746 CE LYS A 48 -5.553 -29.206 6.299 1.00 0.00 C ATOM 747 NZ LYS A 48 -4.444 -29.588 5.381 1.00 0.00 N ATOM 0 H LYS A 48 -9.607 -25.394 7.013 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.584 -24.797 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.565 -26.203 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.060 -27.519 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.049 -27.147 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.554 -25.836 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.342 -27.533 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.821 -27.706 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.578 -29.894 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.506 -29.305 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.676 -30.486 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.315 -28.845 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.565 -29.700 5.926 1.00 0.00 H new ATOM 761 N GLU A 49 -9.813 -27.149 4.383 1.00 0.00 N ATOM 762 CA GLU A 49 -10.420 -27.899 3.289 1.00 0.00 C ATOM 763 C GLU A 49 -10.503 -27.047 2.026 1.00 0.00 C ATOM 764 O GLU A 49 -9.949 -27.404 0.986 1.00 0.00 O ATOM 765 CB GLU A 49 -11.817 -28.380 3.685 1.00 0.00 C ATOM 766 CG GLU A 49 -11.824 -29.747 4.349 1.00 0.00 C ATOM 767 CD GLU A 49 -10.921 -30.742 3.645 1.00 0.00 C ATOM 768 OE1 GLU A 49 -10.989 -30.827 2.401 1.00 0.00 O ATOM 769 OE2 GLU A 49 -10.147 -31.434 4.339 1.00 0.00 O ATOM 0 H GLU A 49 -10.212 -27.344 5.301 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.790 -28.764 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.264 -27.653 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.446 -28.414 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.506 -29.644 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.843 -30.134 4.364 1.00 0.00 H new ATOM 776 N ASN A 50 -11.198 -25.919 2.124 1.00 0.00 N ATOM 777 CA ASN A 50 -11.355 -25.016 0.989 1.00 0.00 C ATOM 778 C ASN A 50 -9.999 -24.648 0.395 1.00 0.00 C ATOM 779 O ASN A 50 -9.811 -24.687 -0.822 1.00 0.00 O ATOM 780 CB ASN A 50 -12.098 -23.749 1.418 1.00 0.00 C ATOM 781 CG ASN A 50 -12.869 -23.116 0.275 1.00 0.00 C ATOM 782 OD1 ASN A 50 -13.109 -23.750 -0.752 1.00 0.00 O ATOM 783 ND2 ASN A 50 -13.261 -21.860 0.451 1.00 0.00 N ATOM 0 H ASN A 50 -11.662 -25.608 2.978 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.938 -25.530 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.787 -23.991 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.383 -23.028 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.784 -21.381 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.039 -21.374 1.320 1.00 0.00 H new ATOM 790 N LEU A 51 -9.057 -24.292 1.261 1.00 0.00 N ATOM 791 CA LEU A 51 -7.717 -23.918 0.823 1.00 0.00 C ATOM 792 C LEU A 51 -7.075 -25.040 0.014 1.00 0.00 C ATOM 793 O LEU A 51 -6.603 -24.823 -1.103 1.00 0.00 O ATOM 794 CB LEU A 51 -6.841 -23.579 2.031 1.00 0.00 C ATOM 795 CG LEU A 51 -5.343 -23.438 1.754 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.071 -22.209 0.901 1.00 0.00 C ATOM 797 CD2 LEU A 51 -4.565 -23.366 3.060 1.00 0.00 C ATOM 0 H LEU A 51 -9.196 -24.254 2.271 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.802 -23.039 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.200 -22.645 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.980 -24.354 2.785 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.010 -24.318 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.000 -22.125 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.599 -22.301 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.419 -21.318 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.501 -23.266 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.901 -22.504 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.735 -24.276 3.635 1.00 0.00 H new ATOM 809 N LEU A 52 -7.064 -26.241 0.582 1.00 0.00 N ATOM 810 CA LEU A 52 -6.482 -27.399 -0.088 1.00 0.00 C ATOM 811 C LEU A 52 -6.956 -27.486 -1.535 1.00 0.00 C ATOM 812 O LEU A 52 -6.180 -27.807 -2.434 1.00 0.00 O ATOM 813 CB LEU A 52 -6.849 -28.682 0.659 1.00 0.00 C ATOM 814 CG LEU A 52 -6.110 -28.928 1.975 1.00 0.00 C ATOM 815 CD1 LEU A 52 -6.712 -30.114 2.712 1.00 0.00 C ATOM 816 CD2 LEU A 52 -4.627 -29.154 1.718 1.00 0.00 C ATOM 0 H LEU A 52 -7.451 -26.438 1.505 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.398 -27.282 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.919 -28.665 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.664 -29.529 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.220 -28.044 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.173 -30.274 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.761 -29.913 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.634 -31.006 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.116 -29.328 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.498 -30.022 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.204 -28.274 1.233 1.00 0.00 H new ATOM 828 N GLU A 53 -8.235 -27.195 -1.752 1.00 0.00 N ATOM 829 CA GLU A 53 -8.812 -27.239 -3.091 1.00 0.00 C ATOM 830 C GLU A 53 -8.162 -26.198 -3.997 1.00 0.00 C ATOM 831 O GLU A 53 -7.492 -26.539 -4.973 1.00 0.00 O ATOM 832 CB GLU A 53 -10.322 -27.005 -3.028 1.00 0.00 C ATOM 833 CG GLU A 53 -11.083 -28.122 -2.333 1.00 0.00 C ATOM 834 CD GLU A 53 -12.570 -28.086 -2.627 1.00 0.00 C ATOM 835 OE1 GLU A 53 -13.258 -27.187 -2.100 1.00 0.00 O ATOM 836 OE2 GLU A 53 -13.045 -28.957 -3.385 1.00 0.00 O ATOM 0 H GLU A 53 -8.891 -26.926 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.623 -28.228 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.514 -26.067 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.706 -26.891 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.677 -29.083 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.927 -28.048 -1.257 1.00 0.00 H new ATOM 843 N HIS A 54 -8.365 -24.926 -3.669 1.00 0.00 N ATOM 844 CA HIS A 54 -7.800 -23.834 -4.453 1.00 0.00 C ATOM 845 C HIS A 54 -6.417 -24.204 -4.981 1.00 0.00 C ATOM 846 O HIS A 54 -6.129 -24.032 -6.165 1.00 0.00 O ATOM 847 CB HIS A 54 -7.712 -22.563 -3.607 1.00 0.00 C ATOM 848 CG HIS A 54 -6.581 -21.662 -3.996 1.00 0.00 C ATOM 849 ND1 HIS A 54 -6.748 -20.540 -4.780 1.00 0.00 N ATOM 850 CD2 HIS A 54 -5.261 -21.721 -3.703 1.00 0.00 C ATOM 851 CE1 HIS A 54 -5.580 -19.949 -4.954 1.00 0.00 C ATOM 852 NE2 HIS A 54 -4.661 -20.645 -4.310 1.00 0.00 N ATOM 0 H HIS A 54 -8.917 -24.626 -2.865 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.458 -23.651 -5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.649 -22.014 -3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.600 -22.841 -2.559 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -7.635 -20.217 -5.165 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -4.771 -22.474 -3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -5.406 -19.049 -5.526 1.00 0.00 H new ATOM 860 N GLU A 55 -5.566 -24.711 -4.095 1.00 0.00 N ATOM 861 CA GLU A 55 -4.214 -25.104 -4.474 1.00 0.00 C ATOM 862 C GLU A 55 -4.208 -25.792 -5.836 1.00 0.00 C ATOM 863 O GLU A 55 -3.374 -25.493 -6.690 1.00 0.00 O ATOM 864 CB GLU A 55 -3.614 -26.034 -3.417 1.00 0.00 C ATOM 865 CG GLU A 55 -2.864 -25.303 -2.317 1.00 0.00 C ATOM 866 CD GLU A 55 -1.759 -26.143 -1.706 1.00 0.00 C ATOM 867 OE1 GLU A 55 -2.061 -26.962 -0.813 1.00 0.00 O ATOM 868 OE2 GLU A 55 -0.593 -25.982 -2.121 1.00 0.00 O ATOM 0 H GLU A 55 -5.788 -24.859 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.606 -24.202 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.413 -26.625 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.935 -26.734 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.436 -24.386 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.566 -25.010 -1.537 1.00 0.00 H new ATOM 875 N ALA A 56 -5.144 -26.715 -6.030 1.00 0.00 N ATOM 876 CA ALA A 56 -5.248 -27.444 -7.287 1.00 0.00 C ATOM 877 C ALA A 56 -6.226 -26.762 -8.238 1.00 0.00 C ATOM 878 O ALA A 56 -5.954 -26.628 -9.432 1.00 0.00 O ATOM 879 CB ALA A 56 -5.676 -28.882 -7.029 1.00 0.00 C ATOM 0 H ALA A 56 -5.841 -26.975 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.265 -27.447 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.750 -29.415 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.939 -29.372 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.646 -28.889 -6.532 1.00 0.00 H new ATOM 885 N ARG A 57 -7.364 -26.333 -7.703 1.00 0.00 N ATOM 886 CA ARG A 57 -8.382 -25.667 -8.505 1.00 0.00 C ATOM 887 C ARG A 57 -7.791 -24.477 -9.255 1.00 0.00 C ATOM 888 O ARG A 57 -7.772 -24.453 -10.485 1.00 0.00 O ATOM 889 CB ARG A 57 -9.537 -25.200 -7.617 1.00 0.00 C ATOM 890 CG ARG A 57 -10.862 -25.083 -8.353 1.00 0.00 C ATOM 891 CD ARG A 57 -11.366 -26.441 -8.813 1.00 0.00 C ATOM 892 NE ARG A 57 -12.822 -26.477 -8.922 1.00 0.00 N ATOM 893 CZ ARG A 57 -13.635 -26.585 -7.877 1.00 0.00 C ATOM 894 NH1 ARG A 57 -13.137 -26.668 -6.651 1.00 0.00 N ATOM 895 NH2 ARG A 57 -14.950 -26.611 -8.057 1.00 0.00 N ATOM 0 H ARG A 57 -7.604 -26.435 -6.717 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.760 -26.384 -9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.652 -25.898 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.284 -24.232 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.602 -24.621 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.744 -24.427 -9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.924 -26.683 -9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.036 -27.207 -8.111 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.237 -26.416 -9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.127 -26.649 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.764 -26.751 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.337 -26.548 -8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.573 -26.694 -7.254 1.00 0.00 H new ATOM 909 N ASN A 58 -7.310 -23.491 -8.505 1.00 0.00 N ATOM 910 CA ASN A 58 -6.718 -22.297 -9.099 1.00 0.00 C ATOM 911 C ASN A 58 -5.597 -21.751 -8.220 1.00 0.00 C ATOM 912 O ASN A 58 -5.657 -21.837 -6.993 1.00 0.00 O ATOM 913 CB ASN A 58 -7.788 -21.223 -9.308 1.00 0.00 C ATOM 914 CG ASN A 58 -7.957 -20.332 -8.092 1.00 0.00 C ATOM 915 OD1 ASN A 58 -8.795 -20.762 -7.156 1.00 0.00 O flip ATOM 916 ND2 ASN A 58 -7.342 -19.270 -7.997 1.00 0.00 N flip ATOM 0 H ASN A 58 -7.318 -23.495 -7.485 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.296 -22.572 -10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.521 -20.611 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.739 -21.702 -9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.708 -18.979 -8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.466 -18.681 -7.174 1.00 0.00 H new ATOM 923 N CYS A 59 -4.576 -21.187 -8.856 1.00 0.00 N ATOM 924 CA CYS A 59 -3.440 -20.626 -8.134 1.00 0.00 C ATOM 925 C CYS A 59 -2.567 -19.786 -9.062 1.00 0.00 C ATOM 926 O CYS A 59 -1.924 -20.312 -9.970 1.00 0.00 O ATOM 927 CB CYS A 59 -2.607 -21.744 -7.504 1.00 0.00 C ATOM 928 SG CYS A 59 -1.670 -21.231 -6.028 1.00 0.00 S ATOM 0 H CYS A 59 -4.512 -21.106 -9.871 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.825 -19.981 -7.344 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.268 -22.567 -7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.910 -22.127 -8.249 1.00 0.00 H new ATOM 933 N MET A 60 -2.550 -18.479 -8.827 1.00 0.00 N ATOM 934 CA MET A 60 -1.755 -17.566 -9.640 1.00 0.00 C ATOM 935 C MET A 60 -1.928 -17.870 -11.125 1.00 0.00 C ATOM 936 O MET A 60 -0.964 -17.851 -11.889 1.00 0.00 O ATOM 937 CB MET A 60 -0.277 -17.664 -9.257 1.00 0.00 C ATOM 938 CG MET A 60 0.057 -16.977 -7.943 1.00 0.00 C ATOM 939 SD MET A 60 0.307 -15.201 -8.132 1.00 0.00 S ATOM 940 CE MET A 60 -0.558 -14.583 -6.691 1.00 0.00 C ATOM 0 H MET A 60 -3.078 -18.028 -8.080 1.00 0.00 H new ATOM 0 HA MET A 60 -2.106 -16.551 -9.451 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.003 -18.715 -9.190 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.326 -17.224 -10.051 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.749 -17.153 -7.230 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.958 -17.424 -7.522 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.679 -13.503 -6.775 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.539 -15.054 -6.626 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.017 -14.815 -5.794 1.00 0.00 H new ATOM 950 N ASN A 61 -3.164 -18.150 -11.527 1.00 0.00 N ATOM 951 CA ASN A 61 -3.463 -18.458 -12.920 1.00 0.00 C ATOM 952 C ASN A 61 -2.963 -17.350 -13.842 1.00 0.00 C ATOM 953 O ASN A 61 -3.608 -16.312 -13.988 1.00 0.00 O ATOM 954 CB ASN A 61 -4.969 -18.653 -13.109 1.00 0.00 C ATOM 955 CG ASN A 61 -5.491 -19.871 -12.372 1.00 0.00 C ATOM 956 OD1 ASN A 61 -5.323 -19.995 -11.158 1.00 0.00 O ATOM 957 ND2 ASN A 61 -6.128 -20.778 -13.103 1.00 0.00 N ATOM 0 H ASN A 61 -3.974 -18.170 -10.907 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.948 -19.383 -13.180 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.495 -17.766 -12.757 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -5.189 -18.753 -14.172 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.501 -21.618 -12.661 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.244 -20.634 -14.106 1.00 0.00 H new ATOM 964 N ARG A 62 -1.811 -17.579 -14.463 1.00 0.00 N ATOM 965 CA ARG A 62 -1.224 -16.601 -15.370 1.00 0.00 C ATOM 966 C ARG A 62 -1.524 -15.179 -14.904 1.00 0.00 C ATOM 967 O ARG A 62 -1.861 -14.310 -15.708 1.00 0.00 O ATOM 968 CB ARG A 62 -1.755 -16.807 -16.790 1.00 0.00 C ATOM 969 CG ARG A 62 -0.911 -16.133 -17.860 1.00 0.00 C ATOM 970 CD ARG A 62 -1.209 -16.697 -19.241 1.00 0.00 C ATOM 971 NE ARG A 62 -2.395 -16.086 -19.837 1.00 0.00 N ATOM 972 CZ ARG A 62 -2.639 -16.078 -21.142 1.00 0.00 C ATOM 973 NH1 ARG A 62 -1.785 -16.644 -21.984 1.00 0.00 N ATOM 974 NH2 ARG A 62 -3.740 -15.502 -21.609 1.00 0.00 N ATOM 0 H ARG A 62 -1.265 -18.434 -14.354 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.144 -16.745 -15.370 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.805 -17.876 -16.999 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.773 -16.423 -16.847 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.103 -15.060 -17.855 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.146 -16.269 -17.631 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.351 -16.533 -19.892 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.354 -17.775 -19.169 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.072 -15.642 -19.217 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.938 -17.087 -21.630 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.976 -16.636 -22.986 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.399 -15.065 -20.965 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.927 -15.496 -22.612 1.00 0.00 H new ATOM 988 N SER A 63 -1.399 -14.950 -13.601 1.00 0.00 N ATOM 989 CA SER A 63 -1.661 -13.635 -13.027 1.00 0.00 C ATOM 990 C SER A 63 -0.356 -12.899 -12.738 1.00 0.00 C ATOM 991 O SER A 63 0.602 -13.487 -12.238 1.00 0.00 O ATOM 992 CB SER A 63 -2.479 -13.770 -11.742 1.00 0.00 C ATOM 993 OG SER A 63 -3.863 -13.883 -12.028 1.00 0.00 O ATOM 0 H SER A 63 -1.118 -15.658 -12.923 1.00 0.00 H new ATOM 0 HA SER A 63 -2.232 -13.056 -13.753 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.147 -14.647 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.306 -12.903 -11.104 1.00 0.00 H new ATOM 0 HG SER A 63 -4.010 -14.631 -12.644 1.00 0.00 H new ATOM 999 N GLU A 64 -0.329 -11.609 -13.057 1.00 0.00 N ATOM 1000 CA GLU A 64 0.858 -10.792 -12.833 1.00 0.00 C ATOM 1001 C GLU A 64 0.952 -10.359 -11.372 1.00 0.00 C ATOM 1002 O GLU A 64 -0.051 -10.322 -10.660 1.00 0.00 O ATOM 1003 CB GLU A 64 0.836 -9.560 -13.740 1.00 0.00 C ATOM 1004 CG GLU A 64 1.183 -9.865 -15.188 1.00 0.00 C ATOM 1005 CD GLU A 64 2.376 -10.792 -15.320 1.00 0.00 C ATOM 1006 OE1 GLU A 64 3.509 -10.341 -15.049 1.00 0.00 O ATOM 1007 OE2 GLU A 64 2.177 -11.966 -15.694 1.00 0.00 O ATOM 0 H GLU A 64 -1.115 -11.107 -13.471 1.00 0.00 H new ATOM 0 HA GLU A 64 1.733 -11.395 -13.073 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.155 -9.107 -13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.539 -8.822 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.320 -10.318 -15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.393 -8.932 -15.712 1.00 0.00 H new ATOM 1014 N GLN A 65 2.164 -10.034 -10.935 1.00 0.00 N ATOM 1015 CA GLN A 65 2.390 -9.605 -9.559 1.00 0.00 C ATOM 1016 C GLN A 65 2.077 -8.122 -9.393 1.00 0.00 C ATOM 1017 O GLN A 65 2.881 -7.263 -9.755 1.00 0.00 O ATOM 1018 CB GLN A 65 3.837 -9.883 -9.147 1.00 0.00 C ATOM 1019 CG GLN A 65 4.145 -9.493 -7.711 1.00 0.00 C ATOM 1020 CD GLN A 65 5.278 -10.307 -7.116 1.00 0.00 C ATOM 1021 OE1 GLN A 65 6.151 -10.795 -7.834 1.00 0.00 O ATOM 1022 NE2 GLN A 65 5.269 -10.458 -5.797 1.00 0.00 N ATOM 0 H GLN A 65 3.004 -10.059 -11.513 1.00 0.00 H new ATOM 0 HA GLN A 65 1.721 -10.173 -8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.046 -10.944 -9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.507 -9.340 -9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.404 -8.435 -7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.250 -9.624 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.526 -10.036 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.005 -10.996 -5.340 1.00 0.00 H new ATOM 1031 N VAL A 66 0.903 -7.828 -8.844 1.00 0.00 N ATOM 1032 CA VAL A 66 0.483 -6.448 -8.629 1.00 0.00 C ATOM 1033 C VAL A 66 0.926 -5.946 -7.259 1.00 0.00 C ATOM 1034 O VAL A 66 1.418 -6.716 -6.433 1.00 0.00 O ATOM 1035 CB VAL A 66 -1.045 -6.301 -8.748 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -1.510 -6.668 -10.149 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -1.745 -7.158 -7.704 1.00 0.00 C ATOM 0 H VAL A 66 0.225 -8.527 -8.540 1.00 0.00 H new ATOM 0 HA VAL A 66 0.959 -5.848 -9.404 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.307 -5.259 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.593 -6.558 -10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.034 -6.008 -10.875 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.237 -7.701 -10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.824 -7.042 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.477 -8.204 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.436 -6.843 -6.708 1.00 0.00 H new ATOM 1047 N PHE A 67 0.748 -4.651 -7.024 1.00 0.00 N ATOM 1048 CA PHE A 67 1.130 -4.045 -5.754 1.00 0.00 C ATOM 1049 C PHE A 67 -0.094 -3.507 -5.018 1.00 0.00 C ATOM 1050 O PHE A 67 -1.081 -3.110 -5.638 1.00 0.00 O ATOM 1051 CB PHE A 67 2.136 -2.916 -5.985 1.00 0.00 C ATOM 1052 CG PHE A 67 3.431 -3.380 -6.589 1.00 0.00 C ATOM 1053 CD1 PHE A 67 3.469 -3.870 -7.884 1.00 0.00 C ATOM 1054 CD2 PHE A 67 4.608 -3.328 -5.861 1.00 0.00 C ATOM 1055 CE1 PHE A 67 4.659 -4.299 -8.444 1.00 0.00 C ATOM 1056 CE2 PHE A 67 5.801 -3.755 -6.415 1.00 0.00 C ATOM 1057 CZ PHE A 67 5.826 -4.242 -7.707 1.00 0.00 C ATOM 0 H PHE A 67 0.342 -4.000 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 67 1.594 -4.815 -5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.687 -2.168 -6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.343 -2.425 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.559 -3.918 -8.463 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.594 -2.950 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.676 -4.678 -9.455 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.712 -3.708 -5.838 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.756 -4.578 -8.141 1.00 0.00 H new ATOM 1067 N THR A 68 -0.023 -3.499 -3.690 1.00 0.00 N ATOM 1068 CA THR A 68 -1.124 -3.013 -2.869 1.00 0.00 C ATOM 1069 C THR A 68 -0.723 -1.762 -2.096 1.00 0.00 C ATOM 1070 O THR A 68 0.326 -1.727 -1.451 1.00 0.00 O ATOM 1071 CB THR A 68 -1.599 -4.088 -1.873 1.00 0.00 C ATOM 1072 OG1 THR A 68 -2.033 -5.254 -2.581 1.00 0.00 O ATOM 1073 CG2 THR A 68 -2.734 -3.561 -1.008 1.00 0.00 C ATOM 0 H THR A 68 0.786 -3.824 -3.161 1.00 0.00 H new ATOM 0 HA THR A 68 -1.941 -2.771 -3.548 1.00 0.00 H new ATOM 0 HB THR A 68 -0.761 -4.348 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.332 -5.933 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.053 -4.338 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.391 -2.691 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.573 -3.276 -1.643 1.00 0.00 H new ATOM 1081 N CYS A 69 -1.564 -0.735 -2.163 1.00 0.00 N ATOM 1082 CA CYS A 69 -1.298 0.519 -1.470 1.00 0.00 C ATOM 1083 C CYS A 69 -1.202 0.298 0.037 1.00 0.00 C ATOM 1084 O CYS A 69 -1.474 -0.796 0.533 1.00 0.00 O ATOM 1085 CB CYS A 69 -2.395 1.539 -1.778 1.00 0.00 C ATOM 1086 SG CYS A 69 -1.886 3.273 -1.545 1.00 0.00 S ATOM 0 H CYS A 69 -2.437 -0.747 -2.691 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.342 0.905 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.723 1.403 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.255 1.335 -1.140 1.00 0.00 H new ATOM 1091 N SER A 70 -0.814 1.344 0.760 1.00 0.00 N ATOM 1092 CA SER A 70 -0.679 1.263 2.210 1.00 0.00 C ATOM 1093 C SER A 70 -1.692 2.171 2.901 1.00 0.00 C ATOM 1094 O SER A 70 -1.669 2.330 4.121 1.00 0.00 O ATOM 1095 CB SER A 70 0.740 1.648 2.633 1.00 0.00 C ATOM 1096 OG SER A 70 0.852 1.711 4.044 1.00 0.00 O ATOM 0 H SER A 70 -0.588 2.257 0.366 1.00 0.00 H new ATOM 0 HA SER A 70 -0.874 0.234 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.450 0.920 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.002 2.614 2.201 1.00 0.00 H new ATOM 0 HG SER A 70 0.071 2.173 4.414 1.00 0.00 H new ATOM 1102 N VAL A 71 -2.580 2.765 2.111 1.00 0.00 N ATOM 1103 CA VAL A 71 -3.603 3.657 2.645 1.00 0.00 C ATOM 1104 C VAL A 71 -4.995 3.230 2.193 1.00 0.00 C ATOM 1105 O VAL A 71 -5.920 3.136 3.000 1.00 0.00 O ATOM 1106 CB VAL A 71 -3.359 5.114 2.212 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -4.450 6.023 2.756 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -1.986 5.583 2.669 1.00 0.00 C ATOM 0 H VAL A 71 -2.612 2.645 1.099 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.542 3.594 3.731 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.390 5.161 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.260 7.049 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.418 5.698 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.455 5.974 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.831 6.615 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.924 5.522 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.219 4.949 2.225 1.00 0.00 H new ATOM 1118 N CYS A 72 -5.137 2.972 0.897 1.00 0.00 N ATOM 1119 CA CYS A 72 -6.416 2.554 0.336 1.00 0.00 C ATOM 1120 C CYS A 72 -6.338 1.124 -0.192 1.00 0.00 C ATOM 1121 O CYS A 72 -7.328 0.576 -0.674 1.00 0.00 O ATOM 1122 CB CYS A 72 -6.837 3.502 -0.788 1.00 0.00 C ATOM 1123 SG CYS A 72 -5.675 3.555 -2.191 1.00 0.00 S ATOM 0 H CYS A 72 -4.382 3.045 0.216 1.00 0.00 H new ATOM 0 HA CYS A 72 -7.162 2.589 1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.818 3.201 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -6.944 4.507 -0.380 1.00 0.00 H new ATOM 1128 N GLN A 73 -5.153 0.528 -0.096 1.00 0.00 N ATOM 1129 CA GLN A 73 -4.946 -0.837 -0.565 1.00 0.00 C ATOM 1130 C GLN A 73 -5.291 -0.963 -2.045 1.00 0.00 C ATOM 1131 O GLN A 73 -5.876 -1.957 -2.473 1.00 0.00 O ATOM 1132 CB GLN A 73 -5.793 -1.813 0.253 1.00 0.00 C ATOM 1133 CG GLN A 73 -5.714 -1.579 1.753 1.00 0.00 C ATOM 1134 CD GLN A 73 -4.294 -1.355 2.234 1.00 0.00 C ATOM 1135 OE1 GLN A 73 -3.961 -0.105 2.538 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 -3.504 -2.294 2.332 1.00 0.00 N flip ATOM 0 H GLN A 73 -4.323 0.968 0.302 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.892 -1.083 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.833 -1.733 -0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.471 -2.831 0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.323 -0.714 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.139 -2.437 2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.802 -3.239 2.088 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.552 -2.127 2.657 1.00 0.00 H new ATOM 1145 N GLU A 74 -4.924 0.052 -2.822 1.00 0.00 N ATOM 1146 CA GLU A 74 -5.196 0.054 -4.254 1.00 0.00 C ATOM 1147 C GLU A 74 -4.443 -1.075 -4.952 1.00 0.00 C ATOM 1148 O GLU A 74 -3.773 -1.883 -4.308 1.00 0.00 O ATOM 1149 CB GLU A 74 -4.803 1.399 -4.868 1.00 0.00 C ATOM 1150 CG GLU A 74 -5.718 1.843 -5.997 1.00 0.00 C ATOM 1151 CD GLU A 74 -7.169 1.474 -5.752 1.00 0.00 C ATOM 1152 OE1 GLU A 74 -7.783 2.064 -4.838 1.00 0.00 O ATOM 1153 OE2 GLU A 74 -7.688 0.597 -6.473 1.00 0.00 O ATOM 0 H GLU A 74 -4.438 0.882 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.265 -0.103 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.807 2.160 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.782 1.333 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.638 2.923 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.384 1.389 -6.930 1.00 0.00 H new ATOM 1160 N THR A 75 -4.560 -1.126 -6.276 1.00 0.00 N ATOM 1161 CA THR A 75 -3.893 -2.156 -7.062 1.00 0.00 C ATOM 1162 C THR A 75 -3.078 -1.542 -8.195 1.00 0.00 C ATOM 1163 O THR A 75 -3.600 -0.773 -9.002 1.00 0.00 O ATOM 1164 CB THR A 75 -4.906 -3.153 -7.656 1.00 0.00 C ATOM 1165 OG1 THR A 75 -5.989 -2.445 -8.269 1.00 0.00 O ATOM 1166 CG2 THR A 75 -5.446 -4.082 -6.579 1.00 0.00 C ATOM 0 H THR A 75 -5.110 -0.466 -6.826 1.00 0.00 H new ATOM 0 HA THR A 75 -3.225 -2.688 -6.384 1.00 0.00 H new ATOM 0 HB THR A 75 -4.393 -3.753 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.641 -1.660 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.159 -4.777 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.623 -4.641 -6.135 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.943 -3.494 -5.807 1.00 0.00 H new ATOM 1174 N PHE A 76 -1.796 -1.887 -8.250 1.00 0.00 N ATOM 1175 CA PHE A 76 -0.909 -1.369 -9.285 1.00 0.00 C ATOM 1176 C PHE A 76 -0.123 -2.500 -9.943 1.00 0.00 C ATOM 1177 O PHE A 76 0.614 -3.227 -9.278 1.00 0.00 O ATOM 1178 CB PHE A 76 0.056 -0.341 -8.691 1.00 0.00 C ATOM 1179 CG PHE A 76 -0.607 0.638 -7.765 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -0.890 0.290 -6.454 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -0.947 1.907 -8.206 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -1.499 1.190 -5.599 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -1.557 2.810 -7.356 1.00 0.00 C ATOM 1184 CZ PHE A 76 -1.834 2.451 -6.051 1.00 0.00 C ATOM 0 H PHE A 76 -1.348 -2.523 -7.590 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.522 -0.885 -10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.844 -0.865 -8.150 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.536 0.206 -9.502 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.632 -0.696 -6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.733 2.193 -9.225 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.712 0.907 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.817 3.796 -7.712 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.312 3.155 -5.386 1.00 0.00 H new ATOM 1194 N ARG A 77 -0.288 -2.640 -11.255 1.00 0.00 N ATOM 1195 CA ARG A 77 0.404 -3.682 -12.004 1.00 0.00 C ATOM 1196 C ARG A 77 1.913 -3.584 -11.805 1.00 0.00 C ATOM 1197 O ARG A 77 2.619 -4.593 -11.827 1.00 0.00 O ATOM 1198 CB ARG A 77 0.067 -3.579 -13.493 1.00 0.00 C ATOM 1199 CG ARG A 77 0.468 -2.252 -14.117 1.00 0.00 C ATOM 1200 CD ARG A 77 -0.556 -1.167 -13.825 1.00 0.00 C ATOM 1201 NE ARG A 77 -0.610 -0.166 -14.886 1.00 0.00 N ATOM 1202 CZ ARG A 77 -1.371 -0.283 -15.969 1.00 0.00 C ATOM 1203 NH1 ARG A 77 -2.138 -1.352 -16.131 1.00 0.00 N ATOM 1204 NH2 ARG A 77 -1.367 0.671 -16.891 1.00 0.00 N ATOM 0 H ARG A 77 -0.894 -2.045 -11.820 1.00 0.00 H new ATOM 0 HA ARG A 77 0.068 -4.648 -11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.566 -4.388 -14.027 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.005 -3.724 -13.625 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.442 -1.948 -13.733 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.574 -2.373 -15.195 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.540 -1.620 -13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.310 -0.681 -12.881 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.032 0.669 -14.791 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.145 -2.087 -15.424 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.721 -1.440 -16.963 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.779 1.496 -16.769 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.952 0.580 -17.722 1.00 0.00 H new ATOM 1218 N ARG A 78 2.401 -2.363 -11.611 1.00 0.00 N ATOM 1219 CA ARG A 78 3.827 -2.133 -11.410 1.00 0.00 C ATOM 1220 C ARG A 78 4.085 -1.460 -10.066 1.00 0.00 C ATOM 1221 O ARG A 78 3.149 -1.091 -9.356 1.00 0.00 O ATOM 1222 CB ARG A 78 4.391 -1.271 -12.541 1.00 0.00 C ATOM 1223 CG ARG A 78 4.320 -1.935 -13.907 1.00 0.00 C ATOM 1224 CD ARG A 78 4.563 -0.935 -15.026 1.00 0.00 C ATOM 1225 NE ARG A 78 3.464 0.018 -15.157 1.00 0.00 N ATOM 1226 CZ ARG A 78 3.406 0.947 -16.105 1.00 0.00 C ATOM 1227 NH1 ARG A 78 4.378 1.047 -17.000 1.00 0.00 N ATOM 1228 NH2 ARG A 78 2.373 1.778 -16.158 1.00 0.00 N ATOM 0 H ARG A 78 1.830 -1.518 -11.589 1.00 0.00 H new ATOM 0 HA ARG A 78 4.329 -3.100 -11.415 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.844 -0.329 -12.576 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.430 -1.028 -12.318 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.060 -2.733 -13.964 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.342 -2.398 -14.037 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.490 -0.395 -14.834 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.694 -1.469 -15.967 1.00 0.00 H new ATOM 0 HE ARG A 78 2.699 -0.032 -14.484 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.174 0.410 -16.962 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.331 1.761 -17.727 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.623 1.704 -15.471 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.329 2.491 -16.886 1.00 0.00 H new ATOM 1242 N ARG A 79 5.359 -1.303 -9.723 1.00 0.00 N ATOM 1243 CA ARG A 79 5.740 -0.676 -8.463 1.00 0.00 C ATOM 1244 C ARG A 79 5.771 0.844 -8.600 1.00 0.00 C ATOM 1245 O ARG A 79 5.124 1.559 -7.836 1.00 0.00 O ATOM 1246 CB ARG A 79 7.108 -1.185 -8.008 1.00 0.00 C ATOM 1247 CG ARG A 79 7.663 -0.446 -6.801 1.00 0.00 C ATOM 1248 CD ARG A 79 7.258 -1.121 -5.500 1.00 0.00 C ATOM 1249 NE ARG A 79 7.444 -0.243 -4.348 1.00 0.00 N ATOM 1250 CZ ARG A 79 7.760 -0.681 -3.134 1.00 0.00 C ATOM 1251 NH1 ARG A 79 7.924 -1.979 -2.916 1.00 0.00 N ATOM 1252 NH2 ARG A 79 7.913 0.179 -2.136 1.00 0.00 N ATOM 0 H ARG A 79 6.145 -1.601 -10.300 1.00 0.00 H new ATOM 0 HA ARG A 79 4.994 -0.942 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.031 -2.246 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.813 -1.095 -8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.750 -0.404 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.303 0.583 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.213 -1.425 -5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.847 -2.028 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 79 7.325 0.761 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.808 -2.643 -3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.167 -2.313 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.788 1.178 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.156 -0.159 -1.205 1.00 0.00 H new ATOM 1266 N MET A 80 6.528 1.329 -9.579 1.00 0.00 N ATOM 1267 CA MET A 80 6.643 2.763 -9.816 1.00 0.00 C ATOM 1268 C MET A 80 5.276 3.437 -9.746 1.00 0.00 C ATOM 1269 O MET A 80 5.108 4.451 -9.070 1.00 0.00 O ATOM 1270 CB MET A 80 7.286 3.027 -11.179 1.00 0.00 C ATOM 1271 CG MET A 80 7.288 4.494 -11.576 1.00 0.00 C ATOM 1272 SD MET A 80 8.789 5.351 -11.062 1.00 0.00 S ATOM 1273 CE MET A 80 8.297 5.956 -9.449 1.00 0.00 C ATOM 0 H MET A 80 7.070 0.750 -10.220 1.00 0.00 H new ATOM 0 HA MET A 80 7.277 3.185 -9.036 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.313 2.662 -11.164 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.755 2.454 -11.939 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.181 4.574 -12.658 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.423 4.987 -11.133 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.606 6.996 -9.341 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.214 5.887 -9.349 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.772 5.354 -8.674 1.00 0.00 H new ATOM 1283 N GLU A 81 4.304 2.867 -10.451 1.00 0.00 N ATOM 1284 CA GLU A 81 2.952 3.414 -10.469 1.00 0.00 C ATOM 1285 C GLU A 81 2.473 3.727 -9.055 1.00 0.00 C ATOM 1286 O GLU A 81 1.953 4.811 -8.788 1.00 0.00 O ATOM 1287 CB GLU A 81 1.990 2.433 -11.141 1.00 0.00 C ATOM 1288 CG GLU A 81 2.357 2.108 -12.579 1.00 0.00 C ATOM 1289 CD GLU A 81 2.425 3.342 -13.457 1.00 0.00 C ATOM 1290 OE1 GLU A 81 1.355 3.864 -13.833 1.00 0.00 O ATOM 1291 OE2 GLU A 81 3.550 3.786 -13.769 1.00 0.00 O ATOM 0 H GLU A 81 4.427 2.027 -11.017 1.00 0.00 H new ATOM 0 HA GLU A 81 2.970 4.342 -11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.965 1.509 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.983 2.851 -11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.321 1.600 -12.598 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.623 1.415 -12.990 1.00 0.00 H new ATOM 1298 N LEU A 82 2.650 2.769 -8.152 1.00 0.00 N ATOM 1299 CA LEU A 82 2.236 2.940 -6.763 1.00 0.00 C ATOM 1300 C LEU A 82 2.865 4.190 -6.157 1.00 0.00 C ATOM 1301 O LEU A 82 2.201 4.952 -5.454 1.00 0.00 O ATOM 1302 CB LEU A 82 2.622 1.710 -5.940 1.00 0.00 C ATOM 1303 CG LEU A 82 2.551 1.870 -4.421 1.00 0.00 C ATOM 1304 CD1 LEU A 82 1.160 2.313 -3.995 1.00 0.00 C ATOM 1305 CD2 LEU A 82 2.933 0.569 -3.729 1.00 0.00 C ATOM 0 H LEU A 82 3.077 1.866 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 82 1.152 3.056 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.971 0.885 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.639 1.423 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 82 3.263 2.640 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.129 2.422 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.924 3.269 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.429 1.566 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.877 0.701 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.246 -0.221 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.950 0.293 -4.008 1.00 0.00 H new ATOM 1317 N ARG A 83 4.148 4.395 -6.436 1.00 0.00 N ATOM 1318 CA ARG A 83 4.867 5.553 -5.919 1.00 0.00 C ATOM 1319 C ARG A 83 4.202 6.851 -6.368 1.00 0.00 C ATOM 1320 O ARG A 83 3.998 7.766 -5.569 1.00 0.00 O ATOM 1321 CB ARG A 83 6.324 5.526 -6.385 1.00 0.00 C ATOM 1322 CG ARG A 83 7.034 4.216 -6.087 1.00 0.00 C ATOM 1323 CD ARG A 83 7.359 4.082 -4.607 1.00 0.00 C ATOM 1324 NE ARG A 83 8.665 4.647 -4.280 1.00 0.00 N ATOM 1325 CZ ARG A 83 9.027 4.998 -3.051 1.00 0.00 C ATOM 1326 NH1 ARG A 83 8.185 4.844 -2.039 1.00 0.00 N ATOM 1327 NH2 ARG A 83 10.234 5.506 -2.833 1.00 0.00 N ATOM 0 H ARG A 83 4.711 3.774 -7.017 1.00 0.00 H new ATOM 0 HA ARG A 83 4.840 5.509 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.357 5.711 -7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.866 6.341 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.406 3.381 -6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.954 4.159 -6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.590 4.584 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.339 3.029 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 83 9.336 4.779 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.256 4.455 -2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.466 5.114 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.884 5.627 -3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.511 5.775 -1.889 1.00 0.00 H new ATOM 1341 N LEU A 84 3.866 6.923 -7.651 1.00 0.00 N ATOM 1342 CA LEU A 84 3.224 8.109 -8.208 1.00 0.00 C ATOM 1343 C LEU A 84 1.802 8.259 -7.676 1.00 0.00 C ATOM 1344 O LEU A 84 1.180 9.311 -7.825 1.00 0.00 O ATOM 1345 CB LEU A 84 3.203 8.032 -9.736 1.00 0.00 C ATOM 1346 CG LEU A 84 4.433 7.406 -10.393 1.00 0.00 C ATOM 1347 CD1 LEU A 84 4.279 7.386 -11.906 1.00 0.00 C ATOM 1348 CD2 LEU A 84 5.693 8.161 -9.994 1.00 0.00 C ATOM 0 H LEU A 84 4.027 6.175 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 84 3.801 8.982 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.324 7.462 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.080 9.041 -10.129 1.00 0.00 H new ATOM 0 HG LEU A 84 4.523 6.377 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.164 6.937 -12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.399 6.801 -12.174 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.163 8.406 -12.273 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.559 7.702 -10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.611 9.200 -10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.812 8.123 -8.911 1.00 0.00 H new ATOM 1360 N HIS A 85 1.294 7.201 -7.052 1.00 0.00 N ATOM 1361 CA HIS A 85 -0.054 7.216 -6.495 1.00 0.00 C ATOM 1362 C HIS A 85 -0.037 7.698 -5.047 1.00 0.00 C ATOM 1363 O HIS A 85 -0.878 8.499 -4.640 1.00 0.00 O ATOM 1364 CB HIS A 85 -0.677 5.822 -6.573 1.00 0.00 C ATOM 1365 CG HIS A 85 -1.866 5.646 -5.680 1.00 0.00 C ATOM 1366 ND1 HIS A 85 -3.159 5.891 -6.091 1.00 0.00 N ATOM 1367 CD2 HIS A 85 -1.953 5.245 -4.390 1.00 0.00 C ATOM 1368 CE1 HIS A 85 -3.989 5.650 -5.093 1.00 0.00 C ATOM 1369 NE2 HIS A 85 -3.283 5.256 -4.049 1.00 0.00 N ATOM 0 H HIS A 85 1.795 6.323 -6.919 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.656 7.908 -7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.974 5.623 -7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.078 5.081 -6.310 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -3.432 6.209 -7.021 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -1.130 4.968 -3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.063 5.757 -5.125 1.00 0.00 H new ATOM 1377 N MET A 86 0.925 7.204 -4.275 1.00 0.00 N ATOM 1378 CA MET A 86 1.051 7.585 -2.873 1.00 0.00 C ATOM 1379 C MET A 86 0.997 9.101 -2.715 1.00 0.00 C ATOM 1380 O MET A 86 0.531 9.613 -1.697 1.00 0.00 O ATOM 1381 CB MET A 86 2.359 7.046 -2.291 1.00 0.00 C ATOM 1382 CG MET A 86 2.446 5.528 -2.295 1.00 0.00 C ATOM 1383 SD MET A 86 2.008 4.804 -0.703 1.00 0.00 S ATOM 1384 CE MET A 86 0.318 5.372 -0.525 1.00 0.00 C ATOM 0 H MET A 86 1.629 6.539 -4.596 1.00 0.00 H new ATOM 0 HA MET A 86 0.213 7.150 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.195 7.451 -2.861 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.467 7.405 -1.268 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.784 5.132 -3.065 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.459 5.227 -2.561 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.187 4.778 0.237 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.316 6.421 -0.228 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.204 5.263 -1.476 1.00 0.00 H new ATOM 1394 N VAL A 87 1.477 9.815 -3.729 1.00 0.00 N ATOM 1395 CA VAL A 87 1.483 11.273 -3.702 1.00 0.00 C ATOM 1396 C VAL A 87 0.109 11.821 -3.332 1.00 0.00 C ATOM 1397 O VAL A 87 -0.001 12.851 -2.666 1.00 0.00 O ATOM 1398 CB VAL A 87 1.907 11.857 -5.062 1.00 0.00 C ATOM 1399 CG1 VAL A 87 3.200 11.214 -5.540 1.00 0.00 C ATOM 1400 CG2 VAL A 87 0.799 11.674 -6.089 1.00 0.00 C ATOM 0 H VAL A 87 1.867 9.407 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 87 2.207 11.573 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 87 2.085 12.925 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.484 11.639 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.990 11.402 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.054 10.139 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.116 12.092 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.587 10.612 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.101 12.187 -5.749 1.00 0.00 H new ATOM 1410 N SER A 88 -0.937 11.126 -3.767 1.00 0.00 N ATOM 1411 CA SER A 88 -2.305 11.545 -3.484 1.00 0.00 C ATOM 1412 C SER A 88 -2.600 11.462 -1.990 1.00 0.00 C ATOM 1413 O SER A 88 -3.421 12.214 -1.465 1.00 0.00 O ATOM 1414 CB SER A 88 -3.297 10.677 -4.261 1.00 0.00 C ATOM 1415 OG SER A 88 -4.610 11.202 -4.174 1.00 0.00 O ATOM 0 H SER A 88 -0.863 10.270 -4.317 1.00 0.00 H new ATOM 0 HA SER A 88 -2.415 12.582 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.994 10.619 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.281 9.661 -3.868 1.00 0.00 H new ATOM 0 HG SER A 88 -5.225 10.631 -4.680 1.00 0.00 H new ATOM 1421 N HIS A 89 -1.924 10.541 -1.309 1.00 0.00 N ATOM 1422 CA HIS A 89 -2.113 10.359 0.125 1.00 0.00 C ATOM 1423 C HIS A 89 -1.238 11.327 0.916 1.00 0.00 C ATOM 1424 O HIS A 89 -1.729 12.081 1.756 1.00 0.00 O ATOM 1425 CB HIS A 89 -1.790 8.919 0.525 1.00 0.00 C ATOM 1426 CG HIS A 89 -2.817 7.927 0.072 1.00 0.00 C ATOM 1427 ND1 HIS A 89 -4.159 8.048 0.363 1.00 0.00 N ATOM 1428 CD2 HIS A 89 -2.692 6.793 -0.655 1.00 0.00 C ATOM 1429 CE1 HIS A 89 -4.815 7.031 -0.166 1.00 0.00 C ATOM 1430 NE2 HIS A 89 -3.948 6.254 -0.789 1.00 0.00 N ATOM 0 H HIS A 89 -1.241 9.910 -1.728 1.00 0.00 H new ATOM 0 HA HIS A 89 -3.157 10.567 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -0.822 8.643 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.697 8.864 1.610 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -4.580 8.805 0.902 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.775 6.387 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.880 6.863 -0.100 1.00 0.00 H new ATOM 1438 N THR A 90 0.063 11.301 0.641 1.00 0.00 N ATOM 1439 CA THR A 90 1.007 12.174 1.328 1.00 0.00 C ATOM 1440 C THR A 90 0.805 13.629 0.921 1.00 0.00 C ATOM 1441 O THR A 90 0.830 14.528 1.761 1.00 0.00 O ATOM 1442 CB THR A 90 2.463 11.768 1.034 1.00 0.00 C ATOM 1443 OG1 THR A 90 3.364 12.654 1.707 1.00 0.00 O ATOM 1444 CG2 THR A 90 2.741 11.794 -0.461 1.00 0.00 C ATOM 0 H THR A 90 0.487 10.685 -0.053 1.00 0.00 H new ATOM 0 HA THR A 90 0.817 12.068 2.396 1.00 0.00 H new ATOM 0 HB THR A 90 2.614 10.752 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.288 12.388 1.516 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.776 11.504 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.074 11.097 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.573 12.800 -0.845 1.00 0.00 H new ATOM 1452 N GLY A 91 0.604 13.855 -0.374 1.00 0.00 N ATOM 1453 CA GLY A 91 0.400 15.204 -0.869 1.00 0.00 C ATOM 1454 C GLY A 91 1.012 15.417 -2.239 1.00 0.00 C ATOM 1455 O GLY A 91 0.312 15.762 -3.191 1.00 0.00 O ATOM 0 H GLY A 91 0.579 13.128 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.669 15.413 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.834 15.915 -0.166 1.00 0.00 H new ATOM 1459 N GLU A 92 2.321 15.213 -2.339 1.00 0.00 N ATOM 1460 CA GLU A 92 3.027 15.388 -3.603 1.00 0.00 C ATOM 1461 C GLU A 92 4.450 14.844 -3.512 1.00 0.00 C ATOM 1462 O GLU A 92 4.962 14.597 -2.421 1.00 0.00 O ATOM 1463 CB GLU A 92 3.058 16.867 -3.995 1.00 0.00 C ATOM 1464 CG GLU A 92 4.041 17.691 -3.180 1.00 0.00 C ATOM 1465 CD GLU A 92 3.531 17.995 -1.784 1.00 0.00 C ATOM 1466 OE1 GLU A 92 2.737 18.948 -1.638 1.00 0.00 O ATOM 1467 OE2 GLU A 92 3.925 17.281 -0.839 1.00 0.00 O ATOM 0 H GLU A 92 2.914 14.926 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 92 2.491 14.828 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.315 16.949 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.059 17.287 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.987 17.155 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.244 18.627 -3.700 1.00 0.00 H new ATOM 1474 N MET A 93 5.081 14.660 -4.667 1.00 0.00 N ATOM 1475 CA MET A 93 6.445 14.146 -4.718 1.00 0.00 C ATOM 1476 C MET A 93 7.446 15.216 -4.293 1.00 0.00 C ATOM 1477 O MET A 93 7.200 16.416 -4.421 1.00 0.00 O ATOM 1478 CB MET A 93 6.775 13.654 -6.128 1.00 0.00 C ATOM 1479 CG MET A 93 5.636 12.896 -6.789 1.00 0.00 C ATOM 1480 SD MET A 93 6.045 12.339 -8.455 1.00 0.00 S ATOM 1481 CE MET A 93 6.671 10.695 -8.118 1.00 0.00 C ATOM 0 H MET A 93 4.670 14.859 -5.579 1.00 0.00 H new ATOM 0 HA MET A 93 6.517 13.310 -4.023 1.00 0.00 H new ATOM 0 HB2 MET A 93 7.040 14.509 -6.750 1.00 0.00 H new ATOM 0 HB3 MET A 93 7.652 13.008 -6.083 1.00 0.00 H new ATOM 0 HG2 MET A 93 5.375 12.033 -6.176 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.755 13.536 -6.830 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.160 10.302 -9.009 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.390 10.740 -7.300 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.845 10.041 -7.839 1.00 0.00 H new ATOM 1491 N PRO A 94 8.602 14.775 -3.776 1.00 0.00 N ATOM 1492 CA PRO A 94 9.663 15.680 -3.322 1.00 0.00 C ATOM 1493 C PRO A 94 10.343 16.402 -4.480 1.00 0.00 C ATOM 1494 O PRO A 94 10.505 17.622 -4.454 1.00 0.00 O ATOM 1495 CB PRO A 94 10.650 14.744 -2.621 1.00 0.00 C ATOM 1496 CG PRO A 94 10.426 13.414 -3.252 1.00 0.00 C ATOM 1497 CD PRO A 94 8.963 13.359 -3.594 1.00 0.00 C ATOM 0 HA PRO A 94 9.277 16.473 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.678 15.079 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.467 14.708 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.040 13.297 -4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.698 12.608 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.783 12.779 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.381 12.895 -2.797 1.00 0.00 H new ATOM 1505 N TYR A 95 10.739 15.641 -5.494 1.00 0.00 N ATOM 1506 CA TYR A 95 11.404 16.209 -6.661 1.00 0.00 C ATOM 1507 C TYR A 95 10.385 16.739 -7.665 1.00 0.00 C ATOM 1508 O TYR A 95 9.250 16.266 -7.725 1.00 0.00 O ATOM 1509 CB TYR A 95 12.295 15.159 -7.328 1.00 0.00 C ATOM 1510 CG TYR A 95 13.434 14.688 -6.453 1.00 0.00 C ATOM 1511 CD1 TYR A 95 14.657 15.349 -6.456 1.00 0.00 C ATOM 1512 CD2 TYR A 95 13.290 13.582 -5.624 1.00 0.00 C ATOM 1513 CE1 TYR A 95 15.702 14.922 -5.659 1.00 0.00 C ATOM 1514 CE2 TYR A 95 14.328 13.150 -4.823 1.00 0.00 C ATOM 1515 CZ TYR A 95 15.532 13.822 -4.844 1.00 0.00 C ATOM 1516 OH TYR A 95 16.570 13.393 -4.048 1.00 0.00 O ATOM 0 H TYR A 95 10.611 14.630 -5.532 1.00 0.00 H new ATOM 0 HA TYR A 95 12.023 17.041 -6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.684 14.301 -7.608 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.703 15.574 -8.250 1.00 0.00 H new ATOM 0 HD1 TYR A 95 14.793 16.211 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.350 13.051 -5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 95 16.646 15.446 -5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 95 14.198 12.290 -4.183 1.00 0.00 H new ATOM 0 HH TYR A 95 16.286 12.608 -3.535 1.00 0.00 H new ATOM 1526 N LYS A 96 10.799 17.724 -8.454 1.00 0.00 N ATOM 1527 CA LYS A 96 9.925 18.320 -9.458 1.00 0.00 C ATOM 1528 C LYS A 96 10.739 18.936 -10.591 1.00 0.00 C ATOM 1529 O LYS A 96 11.900 19.304 -10.407 1.00 0.00 O ATOM 1530 CB LYS A 96 9.032 19.386 -8.819 1.00 0.00 C ATOM 1531 CG LYS A 96 7.674 18.862 -8.387 1.00 0.00 C ATOM 1532 CD LYS A 96 7.069 19.720 -7.288 1.00 0.00 C ATOM 1533 CE LYS A 96 7.599 19.325 -5.918 1.00 0.00 C ATOM 1534 NZ LYS A 96 7.430 20.419 -4.922 1.00 0.00 N ATOM 0 H LYS A 96 11.735 18.127 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 96 9.298 17.531 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.543 19.804 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.889 20.201 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.002 18.840 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.774 17.835 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.295 20.769 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.984 19.620 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.078 18.433 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.655 19.066 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.803 20.111 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.948 21.262 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.420 20.649 -4.827 1.00 0.00 H new ATOM 1548 N CYS A 97 10.124 19.046 -11.764 1.00 0.00 N ATOM 1549 CA CYS A 97 10.790 19.618 -12.927 1.00 0.00 C ATOM 1550 C CYS A 97 10.591 21.130 -12.979 1.00 0.00 C ATOM 1551 O CYS A 97 10.007 21.722 -12.071 1.00 0.00 O ATOM 1552 CB CYS A 97 10.260 18.978 -14.211 1.00 0.00 C ATOM 1553 SG CYS A 97 11.497 18.845 -15.542 1.00 0.00 S ATOM 0 H CYS A 97 9.164 18.746 -11.934 1.00 0.00 H new ATOM 0 HA CYS A 97 11.857 19.413 -12.841 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.883 17.982 -13.979 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.414 19.562 -14.573 1.00 0.00 H new ATOM 1558 N SER A 98 11.079 21.749 -14.049 1.00 0.00 N ATOM 1559 CA SER A 98 10.957 23.193 -14.219 1.00 0.00 C ATOM 1560 C SER A 98 10.261 23.528 -15.535 1.00 0.00 C ATOM 1561 O SER A 98 9.370 24.376 -15.580 1.00 0.00 O ATOM 1562 CB SER A 98 12.338 23.850 -14.177 1.00 0.00 C ATOM 1563 OG SER A 98 12.229 25.255 -14.030 1.00 0.00 O ATOM 0 H SER A 98 11.562 21.274 -14.811 1.00 0.00 H new ATOM 0 HA SER A 98 10.352 23.582 -13.400 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.915 23.438 -13.349 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.883 23.618 -15.092 1.00 0.00 H new ATOM 0 HG SER A 98 13.125 25.652 -14.004 1.00 0.00 H new ATOM 1569 N SER A 99 10.676 22.857 -16.604 1.00 0.00 N ATOM 1570 CA SER A 99 10.096 23.086 -17.923 1.00 0.00 C ATOM 1571 C SER A 99 8.663 22.565 -17.984 1.00 0.00 C ATOM 1572 O SER A 99 7.748 23.280 -18.392 1.00 0.00 O ATOM 1573 CB SER A 99 10.944 22.407 -19.001 1.00 0.00 C ATOM 1574 OG SER A 99 11.930 23.290 -19.506 1.00 0.00 O ATOM 0 H SER A 99 11.411 22.150 -16.583 1.00 0.00 H new ATOM 0 HA SER A 99 10.082 24.161 -18.105 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.424 21.521 -18.586 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.302 22.070 -19.815 1.00 0.00 H new ATOM 0 HG SER A 99 12.459 22.832 -20.192 1.00 0.00 H new ATOM 1580 N CYS A 100 8.477 21.315 -17.574 1.00 0.00 N ATOM 1581 CA CYS A 100 7.157 20.696 -17.581 1.00 0.00 C ATOM 1582 C CYS A 100 6.531 20.733 -16.190 1.00 0.00 C ATOM 1583 O CYS A 100 5.312 20.641 -16.044 1.00 0.00 O ATOM 1584 CB CYS A 100 7.251 19.250 -18.072 1.00 0.00 C ATOM 1585 SG CYS A 100 8.220 18.157 -16.983 1.00 0.00 S ATOM 0 H CYS A 100 9.224 20.710 -17.233 1.00 0.00 H new ATOM 0 HA CYS A 100 6.521 21.263 -18.261 1.00 0.00 H new ATOM 0 HB2 CYS A 100 6.244 18.845 -18.172 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.698 19.243 -19.066 1.00 0.00 H new ATOM 1590 N SER A 101 7.374 20.869 -15.172 1.00 0.00 N ATOM 1591 CA SER A 101 6.905 20.914 -13.792 1.00 0.00 C ATOM 1592 C SER A 101 6.499 19.525 -13.310 1.00 0.00 C ATOM 1593 O SER A 101 5.650 19.386 -12.430 1.00 0.00 O ATOM 1594 CB SER A 101 5.722 21.876 -13.665 1.00 0.00 C ATOM 1595 OG SER A 101 5.989 23.103 -14.323 1.00 0.00 O ATOM 0 H SER A 101 8.385 20.950 -15.277 1.00 0.00 H new ATOM 0 HA SER A 101 7.724 21.271 -13.167 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.829 21.418 -14.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.513 22.063 -12.612 1.00 0.00 H new ATOM 0 HG SER A 101 5.217 23.700 -14.229 1.00 0.00 H new ATOM 1601 N GLN A 102 7.112 18.500 -13.894 1.00 0.00 N ATOM 1602 CA GLN A 102 6.814 17.122 -13.525 1.00 0.00 C ATOM 1603 C GLN A 102 7.119 16.875 -12.051 1.00 0.00 C ATOM 1604 O GLN A 102 7.447 17.802 -11.312 1.00 0.00 O ATOM 1605 CB GLN A 102 7.620 16.154 -14.393 1.00 0.00 C ATOM 1606 CG GLN A 102 6.800 15.493 -15.490 1.00 0.00 C ATOM 1607 CD GLN A 102 7.274 14.089 -15.808 1.00 0.00 C ATOM 1608 OE1 GLN A 102 7.861 13.413 -14.963 1.00 0.00 O ATOM 1609 NE2 GLN A 102 7.023 13.643 -17.033 1.00 0.00 N ATOM 0 H GLN A 102 7.817 18.598 -14.624 1.00 0.00 H new ATOM 0 HA GLN A 102 5.751 16.950 -13.691 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.452 16.693 -14.847 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.050 15.381 -13.757 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.754 15.459 -15.186 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.850 16.102 -16.393 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.533 14.237 -17.702 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.320 12.706 -17.305 1.00 0.00 H new ATOM 1618 N GLN A 103 7.007 15.618 -11.631 1.00 0.00 N ATOM 1619 CA GLN A 103 7.269 15.251 -10.245 1.00 0.00 C ATOM 1620 C GLN A 103 8.019 13.925 -10.166 1.00 0.00 C ATOM 1621 O GLN A 103 7.901 13.079 -11.053 1.00 0.00 O ATOM 1622 CB GLN A 103 5.958 15.156 -9.463 1.00 0.00 C ATOM 1623 CG GLN A 103 5.147 16.442 -9.478 1.00 0.00 C ATOM 1624 CD GLN A 103 3.896 16.353 -8.627 1.00 0.00 C ATOM 1625 OE1 GLN A 103 4.032 15.792 -7.431 1.00 0.00 O flip ATOM 1626 NE2 GLN A 103 2.818 16.783 -9.040 1.00 0.00 N flip ATOM 0 H GLN A 103 6.737 14.838 -12.231 1.00 0.00 H new ATOM 0 HA GLN A 103 7.892 16.028 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.354 14.350 -9.879 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.179 14.888 -8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.768 17.263 -9.119 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.867 16.679 -10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.759 17.207 -9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.984 16.715 -8.456 1.00 0.00 H new ATOM 1635 N PHE A 104 8.790 13.749 -9.098 1.00 0.00 N ATOM 1636 CA PHE A 104 9.560 12.526 -8.904 1.00 0.00 C ATOM 1637 C PHE A 104 9.926 12.341 -7.434 1.00 0.00 C ATOM 1638 O PHE A 104 9.979 13.305 -6.671 1.00 0.00 O ATOM 1639 CB PHE A 104 10.830 12.557 -9.757 1.00 0.00 C ATOM 1640 CG PHE A 104 10.593 13.015 -11.168 1.00 0.00 C ATOM 1641 CD1 PHE A 104 10.459 14.363 -11.459 1.00 0.00 C ATOM 1642 CD2 PHE A 104 10.505 12.099 -12.203 1.00 0.00 C ATOM 1643 CE1 PHE A 104 10.241 14.788 -12.756 1.00 0.00 C ATOM 1644 CE2 PHE A 104 10.287 12.517 -13.502 1.00 0.00 C ATOM 1645 CZ PHE A 104 10.156 13.864 -13.779 1.00 0.00 C ATOM 0 H PHE A 104 8.898 14.438 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 104 8.942 11.684 -9.215 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.558 13.218 -9.286 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.270 11.560 -9.776 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.526 15.090 -10.663 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.608 11.045 -11.992 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.137 15.842 -12.969 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.219 11.792 -14.299 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.987 14.194 -14.793 1.00 0.00 H new ATOM 1655 N MET A 105 10.176 11.096 -7.045 1.00 0.00 N ATOM 1656 CA MET A 105 10.538 10.784 -5.667 1.00 0.00 C ATOM 1657 C MET A 105 12.036 10.526 -5.543 1.00 0.00 C ATOM 1658 O MET A 105 12.601 10.611 -4.453 1.00 0.00 O ATOM 1659 CB MET A 105 9.756 9.564 -5.176 1.00 0.00 C ATOM 1660 CG MET A 105 8.626 9.911 -4.220 1.00 0.00 C ATOM 1661 SD MET A 105 7.285 8.706 -4.264 1.00 0.00 S ATOM 1662 CE MET A 105 6.090 9.567 -5.284 1.00 0.00 C ATOM 0 H MET A 105 10.135 10.286 -7.664 1.00 0.00 H new ATOM 0 HA MET A 105 10.283 11.644 -5.047 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.344 9.036 -6.036 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.443 8.878 -4.680 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.020 9.974 -3.206 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.233 10.896 -4.471 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.136 9.620 -4.760 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.447 10.576 -5.490 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.959 9.030 -6.223 1.00 0.00 H new ATOM 1672 N GLN A 106 12.673 10.210 -6.666 1.00 0.00 N ATOM 1673 CA GLN A 106 14.105 9.939 -6.681 1.00 0.00 C ATOM 1674 C GLN A 106 14.841 10.949 -7.556 1.00 0.00 C ATOM 1675 O GLN A 106 14.324 11.392 -8.582 1.00 0.00 O ATOM 1676 CB GLN A 106 14.372 8.520 -7.185 1.00 0.00 C ATOM 1677 CG GLN A 106 13.465 7.472 -6.560 1.00 0.00 C ATOM 1678 CD GLN A 106 14.130 6.114 -6.453 1.00 0.00 C ATOM 1679 OE1 GLN A 106 15.211 5.982 -5.879 1.00 0.00 O ATOM 1680 NE2 GLN A 106 13.486 5.093 -7.008 1.00 0.00 N ATOM 0 H GLN A 106 12.220 10.135 -7.577 1.00 0.00 H new ATOM 0 HA GLN A 106 14.477 10.030 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 106 14.247 8.498 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.410 8.259 -6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.163 7.804 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.556 7.382 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.592 5.247 -7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.886 4.155 -6.968 1.00 0.00 H new ATOM 1689 N LYS A 107 16.052 11.309 -7.144 1.00 0.00 N ATOM 1690 CA LYS A 107 16.861 12.266 -7.890 1.00 0.00 C ATOM 1691 C LYS A 107 17.064 11.802 -9.329 1.00 0.00 C ATOM 1692 O LYS A 107 16.715 12.509 -10.275 1.00 0.00 O ATOM 1693 CB LYS A 107 18.218 12.458 -7.209 1.00 0.00 C ATOM 1694 CG LYS A 107 18.820 13.835 -7.431 1.00 0.00 C ATOM 1695 CD LYS A 107 19.872 14.159 -6.383 1.00 0.00 C ATOM 1696 CE LYS A 107 19.267 14.885 -5.192 1.00 0.00 C ATOM 1697 NZ LYS A 107 20.074 14.690 -3.955 1.00 0.00 N ATOM 0 H LYS A 107 16.495 10.952 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 107 16.331 13.218 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 107 18.105 12.288 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.911 11.703 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 107 19.268 13.882 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.032 14.587 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 107 20.347 13.238 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.653 14.776 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.194 15.950 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.252 14.525 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 19.629 15.200 -3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.122 13.676 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.035 15.057 -4.106 1.00 0.00 H new ATOM 1711 N LYS A 108 17.628 10.610 -9.487 1.00 0.00 N ATOM 1712 CA LYS A 108 17.875 10.050 -10.810 1.00 0.00 C ATOM 1713 C LYS A 108 16.604 10.063 -11.653 1.00 0.00 C ATOM 1714 O LYS A 108 16.650 10.301 -12.860 1.00 0.00 O ATOM 1715 CB LYS A 108 18.405 8.619 -10.690 1.00 0.00 C ATOM 1716 CG LYS A 108 17.421 7.658 -10.047 1.00 0.00 C ATOM 1717 CD LYS A 108 17.762 6.212 -10.368 1.00 0.00 C ATOM 1718 CE LYS A 108 16.941 5.246 -9.529 1.00 0.00 C ATOM 1719 NZ LYS A 108 17.344 5.275 -8.096 1.00 0.00 N ATOM 0 H LYS A 108 17.923 10.013 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 108 18.624 10.669 -11.304 1.00 0.00 H new ATOM 0 HB2 LYS A 108 18.663 8.251 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 108 19.325 8.629 -10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 108 17.424 7.802 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.413 7.881 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.581 6.021 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.823 6.039 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.884 5.499 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.059 4.235 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.685 4.334 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.103 5.973 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.526 5.538 -7.510 1.00 0.00 H new ATOM 1733 N ASP A 109 15.470 9.808 -11.009 1.00 0.00 N ATOM 1734 CA ASP A 109 14.185 9.793 -11.699 1.00 0.00 C ATOM 1735 C ASP A 109 13.939 11.116 -12.417 1.00 0.00 C ATOM 1736 O ASP A 109 13.406 11.142 -13.527 1.00 0.00 O ATOM 1737 CB ASP A 109 13.054 9.517 -10.708 1.00 0.00 C ATOM 1738 CG ASP A 109 11.773 9.089 -11.396 1.00 0.00 C ATOM 1739 OD1 ASP A 109 11.848 8.615 -12.549 1.00 0.00 O ATOM 1740 OD2 ASP A 109 10.694 9.227 -10.782 1.00 0.00 O ATOM 0 H ASP A 109 15.415 9.609 -10.010 1.00 0.00 H new ATOM 0 HA ASP A 109 14.208 8.996 -12.442 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.367 8.739 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.864 10.414 -10.119 1.00 0.00 H new ATOM 1745 N LEU A 110 14.328 12.212 -11.776 1.00 0.00 N ATOM 1746 CA LEU A 110 14.149 13.540 -12.352 1.00 0.00 C ATOM 1747 C LEU A 110 15.283 13.873 -13.316 1.00 0.00 C ATOM 1748 O LEU A 110 15.047 14.181 -14.484 1.00 0.00 O ATOM 1749 CB LEU A 110 14.079 14.593 -11.245 1.00 0.00 C ATOM 1750 CG LEU A 110 14.208 16.049 -11.694 1.00 0.00 C ATOM 1751 CD1 LEU A 110 13.104 16.404 -12.678 1.00 0.00 C ATOM 1752 CD2 LEU A 110 14.174 16.983 -10.493 1.00 0.00 C ATOM 0 H LEU A 110 14.770 12.207 -10.857 1.00 0.00 H new ATOM 0 HA LEU A 110 13.212 13.544 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.130 14.478 -10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.869 14.385 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 110 15.168 16.170 -12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.212 17.444 -12.986 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.174 15.757 -13.552 1.00 0.00 H new ATOM 0 HD13 LEU A 110 12.134 16.266 -12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.267 18.015 -10.832 1.00 0.00 H new ATOM 0 HD22 LEU A 110 13.230 16.859 -9.962 1.00 0.00 H new ATOM 0 HD23 LEU A 110 15.001 16.745 -9.823 1.00 0.00 H new ATOM 1764 N GLN A 111 16.514 13.808 -12.818 1.00 0.00 N ATOM 1765 CA GLN A 111 17.685 14.101 -13.636 1.00 0.00 C ATOM 1766 C GLN A 111 17.618 13.361 -14.968 1.00 0.00 C ATOM 1767 O GLN A 111 17.801 13.955 -16.030 1.00 0.00 O ATOM 1768 CB GLN A 111 18.964 13.718 -12.890 1.00 0.00 C ATOM 1769 CG GLN A 111 19.151 14.466 -11.579 1.00 0.00 C ATOM 1770 CD GLN A 111 20.611 14.685 -11.236 1.00 0.00 C ATOM 1771 OE1 GLN A 111 21.494 14.482 -12.070 1.00 0.00 O ATOM 1772 NE2 GLN A 111 20.873 15.100 -10.002 1.00 0.00 N ATOM 0 H GLN A 111 16.726 13.555 -11.853 1.00 0.00 H new ATOM 0 HA GLN A 111 17.697 15.172 -13.837 1.00 0.00 H new ATOM 0 HB2 GLN A 111 18.950 12.647 -12.689 1.00 0.00 H new ATOM 0 HB3 GLN A 111 19.822 13.911 -13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.647 15.431 -11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.672 13.907 -10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 111 20.110 15.256 -9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 111 21.837 15.263 -9.713 1.00 0.00 H new ATOM 1781 N SER A 112 17.355 12.059 -14.903 1.00 0.00 N ATOM 1782 CA SER A 112 17.269 11.236 -16.104 1.00 0.00 C ATOM 1783 C SER A 112 16.116 11.693 -16.993 1.00 0.00 C ATOM 1784 O SER A 112 16.236 11.722 -18.219 1.00 0.00 O ATOM 1785 CB SER A 112 17.085 9.765 -15.727 1.00 0.00 C ATOM 1786 OG SER A 112 17.638 8.913 -16.715 1.00 0.00 O ATOM 0 H SER A 112 17.198 11.552 -14.032 1.00 0.00 H new ATOM 0 HA SER A 112 18.200 11.348 -16.660 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.561 9.570 -14.766 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.024 9.547 -15.607 1.00 0.00 H new ATOM 0 HG SER A 112 17.509 7.978 -16.450 1.00 0.00 H new ATOM 1792 N HIS A 113 14.999 12.051 -16.368 1.00 0.00 N ATOM 1793 CA HIS A 113 13.825 12.507 -17.101 1.00 0.00 C ATOM 1794 C HIS A 113 14.147 13.751 -17.923 1.00 0.00 C ATOM 1795 O HIS A 113 13.702 13.886 -19.063 1.00 0.00 O ATOM 1796 CB HIS A 113 12.677 12.804 -16.135 1.00 0.00 C ATOM 1797 CG HIS A 113 11.769 13.899 -16.602 1.00 0.00 C ATOM 1798 ND1 HIS A 113 10.605 13.665 -17.303 1.00 0.00 N ATOM 1799 CD2 HIS A 113 11.858 15.243 -16.462 1.00 0.00 C ATOM 1800 CE1 HIS A 113 10.019 14.816 -17.577 1.00 0.00 C ATOM 1801 NE2 HIS A 113 10.759 15.790 -17.077 1.00 0.00 N ATOM 0 H HIS A 113 14.883 12.034 -15.355 1.00 0.00 H new ATOM 0 HA HIS A 113 13.521 11.711 -17.781 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.092 11.896 -15.989 1.00 0.00 H new ATOM 0 HB3 HIS A 113 13.091 13.076 -15.164 1.00 0.00 H new ATOM 0 HD1 HIS A 113 10.252 12.746 -17.569 1.00 0.00 H new ATOM 0 HD2 HIS A 113 12.647 15.784 -15.960 1.00 0.00 H new ATOM 0 HE1 HIS A 113 9.092 14.940 -18.118 1.00 0.00 H new ATOM 1809 N MET A 114 14.922 14.658 -17.337 1.00 0.00 N ATOM 1810 CA MET A 114 15.304 15.890 -18.016 1.00 0.00 C ATOM 1811 C MET A 114 16.376 15.622 -19.067 1.00 0.00 C ATOM 1812 O MET A 114 16.468 16.333 -20.069 1.00 0.00 O ATOM 1813 CB MET A 114 15.812 16.919 -17.004 1.00 0.00 C ATOM 1814 CG MET A 114 14.790 17.276 -15.936 1.00 0.00 C ATOM 1815 SD MET A 114 15.150 18.848 -15.129 1.00 0.00 S ATOM 1816 CE MET A 114 14.783 19.999 -16.451 1.00 0.00 C ATOM 0 H MET A 114 15.298 14.563 -16.393 1.00 0.00 H new ATOM 0 HA MET A 114 14.421 16.288 -18.516 1.00 0.00 H new ATOM 0 HB2 MET A 114 16.709 16.530 -16.522 1.00 0.00 H new ATOM 0 HB3 MET A 114 16.103 17.826 -17.535 1.00 0.00 H new ATOM 0 HG2 MET A 114 13.799 17.322 -16.388 1.00 0.00 H new ATOM 0 HG3 MET A 114 14.762 16.485 -15.186 1.00 0.00 H new ATOM 0 HE1 MET A 114 15.681 20.562 -16.703 1.00 0.00 H new ATOM 0 HE2 MET A 114 14.442 19.449 -17.328 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.002 20.687 -16.128 1.00 0.00 H new ATOM 1826 N ILE A 115 17.185 14.594 -18.833 1.00 0.00 N ATOM 1827 CA ILE A 115 18.249 14.233 -19.760 1.00 0.00 C ATOM 1828 C ILE A 115 17.700 13.459 -20.954 1.00 0.00 C ATOM 1829 O ILE A 115 18.266 13.497 -22.047 1.00 0.00 O ATOM 1830 CB ILE A 115 19.334 13.385 -19.070 1.00 0.00 C ATOM 1831 CG1 ILE A 115 20.001 14.186 -17.949 1.00 0.00 C ATOM 1832 CG2 ILE A 115 20.369 12.921 -20.084 1.00 0.00 C ATOM 1833 CD1 ILE A 115 20.490 13.328 -16.803 1.00 0.00 C ATOM 0 H ILE A 115 17.123 13.997 -18.009 1.00 0.00 H new ATOM 0 HA ILE A 115 18.693 15.166 -20.107 1.00 0.00 H new ATOM 0 HB ILE A 115 18.863 12.505 -18.633 1.00 0.00 H new ATOM 0 HG12 ILE A 115 20.843 14.741 -18.362 1.00 0.00 H new ATOM 0 HG13 ILE A 115 19.292 14.920 -17.566 1.00 0.00 H new ATOM 0 HG21 ILE A 115 21.129 12.323 -19.581 1.00 0.00 H new ATOM 0 HG22 ILE A 115 19.882 12.319 -20.851 1.00 0.00 H new ATOM 0 HG23 ILE A 115 20.838 13.789 -20.548 1.00 0.00 H new ATOM 0 HD11 ILE A 115 20.951 13.961 -16.045 1.00 0.00 H new ATOM 0 HD12 ILE A 115 19.648 12.792 -16.364 1.00 0.00 H new ATOM 0 HD13 ILE A 115 21.223 12.611 -17.172 1.00 0.00 H new ATOM 1845 N LYS A 116 16.591 12.759 -20.739 1.00 0.00 N ATOM 1846 CA LYS A 116 15.961 11.979 -21.797 1.00 0.00 C ATOM 1847 C LYS A 116 14.928 12.813 -22.547 1.00 0.00 C ATOM 1848 O LYS A 116 15.003 12.962 -23.768 1.00 0.00 O ATOM 1849 CB LYS A 116 15.296 10.731 -21.211 1.00 0.00 C ATOM 1850 CG LYS A 116 16.232 9.539 -21.099 1.00 0.00 C ATOM 1851 CD LYS A 116 17.137 9.655 -19.884 1.00 0.00 C ATOM 1852 CE LYS A 116 18.095 8.477 -19.788 1.00 0.00 C ATOM 1853 NZ LYS A 116 19.065 8.458 -20.918 1.00 0.00 N ATOM 0 H LYS A 116 16.110 12.716 -19.841 1.00 0.00 H new ATOM 0 HA LYS A 116 16.736 11.675 -22.500 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.904 10.969 -20.222 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.445 10.457 -21.834 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.648 8.621 -21.033 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.839 9.466 -22.001 1.00 0.00 H new ATOM 0 HD2 LYS A 116 17.705 10.584 -19.939 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.530 9.706 -18.980 1.00 0.00 H new ATOM 0 HE2 LYS A 116 18.638 8.526 -18.844 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.527 7.547 -19.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 19.820 7.772 -20.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.574 8.184 -21.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 19.479 9.405 -21.036 1.00 0.00 H new ATOM 1867 N LEU A 117 13.965 13.356 -21.810 1.00 0.00 N ATOM 1868 CA LEU A 117 12.917 14.178 -22.406 1.00 0.00 C ATOM 1869 C LEU A 117 13.440 15.572 -22.738 1.00 0.00 C ATOM 1870 O LEU A 117 13.331 16.033 -23.874 1.00 0.00 O ATOM 1871 CB LEU A 117 11.722 14.282 -21.457 1.00 0.00 C ATOM 1872 CG LEU A 117 11.178 12.959 -20.915 1.00 0.00 C ATOM 1873 CD1 LEU A 117 9.721 13.109 -20.506 1.00 0.00 C ATOM 1874 CD2 LEU A 117 11.332 11.855 -21.951 1.00 0.00 C ATOM 0 H LEU A 117 13.888 13.242 -20.799 1.00 0.00 H new ATOM 0 HA LEU A 117 12.598 13.700 -23.332 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.008 14.908 -20.612 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.915 14.798 -21.977 1.00 0.00 H new ATOM 0 HG LEU A 117 11.756 12.685 -20.032 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.351 12.158 -20.123 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.637 13.870 -19.730 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.129 13.407 -21.371 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.940 10.921 -21.548 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.780 12.122 -22.852 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.387 11.730 -22.196 1.00 0.00 H new ATOM 1886 N HIS A 118 14.011 16.237 -21.739 1.00 0.00 N ATOM 1887 CA HIS A 118 14.555 17.578 -21.925 1.00 0.00 C ATOM 1888 C HIS A 118 16.025 17.517 -22.327 1.00 0.00 C ATOM 1889 O HIS A 118 16.821 18.372 -21.938 1.00 0.00 O ATOM 1890 CB HIS A 118 14.397 18.397 -20.644 1.00 0.00 C ATOM 1891 CG HIS A 118 12.975 18.547 -20.199 1.00 0.00 C ATOM 1892 ND1 HIS A 118 11.976 19.027 -21.021 1.00 0.00 N ATOM 1893 CD2 HIS A 118 12.385 18.276 -19.012 1.00 0.00 C ATOM 1894 CE1 HIS A 118 10.835 19.045 -20.356 1.00 0.00 C ATOM 1895 NE2 HIS A 118 11.055 18.594 -19.135 1.00 0.00 N ATOM 0 H HIS A 118 14.109 15.870 -20.793 1.00 0.00 H new ATOM 0 HA HIS A 118 13.998 18.062 -22.727 1.00 0.00 H new ATOM 0 HB2 HIS A 118 14.970 17.923 -19.847 1.00 0.00 H new ATOM 0 HB3 HIS A 118 14.826 19.387 -20.800 1.00 0.00 H new ATOM 0 HD1 HIS A 118 12.099 19.322 -21.990 1.00 0.00 H new ATOM 0 HD2 HIS A 118 12.870 17.882 -18.131 1.00 0.00 H new ATOM 0 HE1 HIS A 118 9.883 19.373 -20.745 1.00 0.00 H new ATOM 1903 N SER A 119 16.379 16.501 -23.107 1.00 0.00 N ATOM 1904 CA SER A 119 17.755 16.326 -23.558 1.00 0.00 C ATOM 1905 C SER A 119 18.297 17.618 -24.162 1.00 0.00 C ATOM 1906 O SER A 119 19.366 18.093 -23.783 1.00 0.00 O ATOM 1907 CB SER A 119 17.837 15.195 -24.585 1.00 0.00 C ATOM 1908 OG SER A 119 19.170 15.005 -25.028 1.00 0.00 O ATOM 0 H SER A 119 15.732 15.786 -23.440 1.00 0.00 H new ATOM 0 HA SER A 119 18.365 16.066 -22.693 1.00 0.00 H new ATOM 0 HB2 SER A 119 17.462 14.271 -24.144 1.00 0.00 H new ATOM 0 HB3 SER A 119 17.197 15.425 -25.436 1.00 0.00 H new ATOM 0 HG SER A 119 19.196 14.276 -25.682 1.00 0.00 H new ATOM 1914 N GLY A 120 17.549 18.181 -25.106 1.00 0.00 N ATOM 1915 CA GLY A 120 17.970 19.413 -25.749 1.00 0.00 C ATOM 1916 C GLY A 120 17.591 20.643 -24.949 1.00 0.00 C ATOM 1917 O GLY A 120 17.282 20.566 -23.760 1.00 0.00 O ATOM 0 H GLY A 120 16.660 17.807 -25.437 1.00 0.00 H new ATOM 0 HA2 GLY A 120 19.051 19.394 -25.891 1.00 0.00 H new ATOM 0 HA3 GLY A 120 17.519 19.475 -26.740 1.00 0.00 H new ATOM 1921 N PRO A 121 17.615 21.812 -25.607 1.00 0.00 N ATOM 1922 CA PRO A 121 17.275 23.087 -24.968 1.00 0.00 C ATOM 1923 C PRO A 121 15.791 23.192 -24.636 1.00 0.00 C ATOM 1924 O PRO A 121 14.937 22.841 -25.450 1.00 0.00 O ATOM 1925 CB PRO A 121 17.662 24.126 -26.022 1.00 0.00 C ATOM 1926 CG PRO A 121 17.578 23.399 -27.320 1.00 0.00 C ATOM 1927 CD PRO A 121 17.975 21.979 -27.025 1.00 0.00 C ATOM 0 HA PRO A 121 17.788 23.215 -24.015 1.00 0.00 H new ATOM 0 HB2 PRO A 121 16.986 24.981 -26.002 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.667 24.511 -25.848 1.00 0.00 H new ATOM 0 HG2 PRO A 121 16.569 23.445 -27.729 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.242 23.844 -28.061 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.442 21.272 -27.661 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.040 21.817 -27.191 1.00 0.00 H new ATOM 1935 N SER A 122 15.490 23.676 -23.435 1.00 0.00 N ATOM 1936 CA SER A 122 14.108 23.824 -22.994 1.00 0.00 C ATOM 1937 C SER A 122 14.040 24.549 -21.654 1.00 0.00 C ATOM 1938 O SER A 122 14.679 24.145 -20.683 1.00 0.00 O ATOM 1939 CB SER A 122 13.438 22.453 -22.880 1.00 0.00 C ATOM 1940 OG SER A 122 12.027 22.567 -22.959 1.00 0.00 O ATOM 0 H SER A 122 16.185 23.972 -22.750 1.00 0.00 H new ATOM 0 HA SER A 122 13.577 24.420 -23.737 1.00 0.00 H new ATOM 0 HB2 SER A 122 13.799 21.801 -23.676 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.716 21.986 -21.935 1.00 0.00 H new ATOM 0 HG SER A 122 11.622 21.678 -22.885 1.00 0.00 H new ATOM 1946 N SER A 123 13.259 25.624 -21.609 1.00 0.00 N ATOM 1947 CA SER A 123 13.109 26.410 -20.390 1.00 0.00 C ATOM 1948 C SER A 123 11.757 27.117 -20.362 1.00 0.00 C ATOM 1949 O SER A 123 11.165 27.390 -21.405 1.00 0.00 O ATOM 1950 CB SER A 123 14.237 27.437 -20.278 1.00 0.00 C ATOM 1951 OG SER A 123 14.494 27.767 -18.924 1.00 0.00 O ATOM 0 H SER A 123 12.720 25.970 -22.403 1.00 0.00 H new ATOM 0 HA SER A 123 13.161 25.730 -19.540 1.00 0.00 H new ATOM 0 HB2 SER A 123 15.142 27.039 -20.737 1.00 0.00 H new ATOM 0 HB3 SER A 123 13.969 28.338 -20.831 1.00 0.00 H new ATOM 0 HG SER A 123 15.220 28.424 -18.879 1.00 0.00 H new ATOM 1957 N GLY A 124 11.275 27.411 -19.158 1.00 0.00 N ATOM 1958 CA GLY A 124 9.997 28.083 -19.015 1.00 0.00 C ATOM 1959 C GLY A 124 8.900 27.149 -18.545 1.00 0.00 C ATOM 1960 O GLY A 124 7.960 26.900 -19.299 1.00 0.00 O ATOM 0 H GLY A 124 11.747 27.196 -18.280 1.00 0.00 H new ATOM 0 HA2 GLY A 124 10.099 28.904 -18.306 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.712 28.521 -19.971 1.00 0.00 H new TER 1964 GLY A 124 HETATM 1965 ZN ZN A 200 -8.402 2.171 13.448 1.00 0.00 ZN HETATM 1966 ZN ZN A 300 -2.614 -20.627 -4.314 1.00 0.00 ZN HETATM 1967 ZN ZN A 400 -3.734 4.665 -2.097 1.00 0.00 ZN HETATM 1968 ZN ZN A 500 10.400 17.802 -17.354 1.00 0.00 ZN