USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 CYS SG : rot 30:sc= 0.953 USER MOD Set 1.2: A 90 CYS SG : rot 29:sc= -1.08! USER MOD Set 2.1: A 62 CYS SG : rot 180:sc= 0.807 USER MOD Set 2.2: A 76 CYS SG : rot -55:sc= 0.52 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.0267 X(o=2.1,f=2.1) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0.285 USER MOD Set 3.3: A 57 ASN : amide:sc= 1.86 K(o=2.1,f=-3.1!) USER MOD Set 4.1: A 42 ASN : amide:sc= 0.956 K(o=3,f=1.2) USER MOD Set 4.2: A 55 GLN : amide:sc= 2.01 K(o=3,f=-0.46) USER MOD Set 5.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 40 LYS NZ :NH3+ 169:sc= 1.08 (180deg=0.984) USER MOD Set 6.1: A 28 CYS SG : rot 180:sc= 0.312 USER MOD Set 6.2: A 110 CYS SG : rot -84:sc= 0.163 USER MOD Set 7.1: A 7 CYS SG : rot 180:sc= 0.0649 USER MOD Set 7.2: A 120 CYS SG : rot -58:sc= -0.276 USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0.845 (180deg=0.782) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.64 USER MOD Single : A 11 HIS : no HD1:sc= 0.99 K(o=0.99,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.19) USER MOD Single : A 16 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-2) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 23 MET CE :methyl 149:sc= -0.142 (180deg=-2.84) USER MOD Single : A 25 ASN : amide:sc= 0.678 K(o=0.68,f=-3.2!) USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.363 F(o=-1.6,f=-0.36) USER MOD Single : A 34 SER OG : rot -122:sc= 1.12 USER MOD Single : A 38 THR OG1 : rot 169:sc= 1.18 USER MOD Single : A 39 SER OG : rot 180:sc= -0.425 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.342 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0.94 (180deg=0.925) USER MOD Single : A 73 ASN : amide:sc= -0.049 K(o=-0.049,f=-0.83) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 0.304 (180deg=0.0325) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0.644 (180deg=0.584) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= 0.919 (180deg=0.726) USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.286) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.937) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0749 X(o=-0.075,f=-0.075) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.16) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 1.44 K(o=1.4,f=0) USER MOD Single : A 113 SER OG : rot 41:sc= 0.744 USER MOD Single : A 118 SER OG : rot 74:sc= 1.24 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.322 -7.638 10.072 1.00 0.00 N ATOM 2 CA GLY A 1 -7.923 -7.464 8.666 1.00 0.00 C ATOM 3 C GLY A 1 -8.591 -8.481 7.757 1.00 0.00 C ATOM 4 O GLY A 1 -9.178 -9.463 8.219 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.734 -7.030 10.677 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.322 -7.375 10.184 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.192 -8.632 10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.182 -6.458 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.840 -7.558 8.582 1.00 0.00 H new ATOM 10 N LYS A 2 -8.499 -8.249 6.446 1.00 0.00 N ATOM 11 CA LYS A 2 -9.192 -8.999 5.391 1.00 0.00 C ATOM 12 C LYS A 2 -8.487 -8.891 4.024 1.00 0.00 C ATOM 13 O LYS A 2 -7.691 -7.972 3.791 1.00 0.00 O ATOM 14 CB LYS A 2 -10.659 -8.523 5.315 1.00 0.00 C ATOM 15 CG LYS A 2 -10.804 -7.067 4.827 1.00 0.00 C ATOM 16 CD LYS A 2 -12.261 -6.588 4.770 1.00 0.00 C ATOM 17 CE LYS A 2 -13.062 -7.312 3.679 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.451 -6.793 3.583 1.00 0.00 N ATOM 0 H LYS A 2 -7.915 -7.501 6.072 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.167 -10.058 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.213 -9.180 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.115 -8.616 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.239 -6.411 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.360 -6.978 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.735 -6.753 5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.283 -5.514 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.561 -7.191 2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.086 -8.380 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.962 -7.305 2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.937 -6.931 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.428 -5.779 3.354 1.00 0.00 H new ATOM 32 N THR A 3 -8.843 -9.795 3.102 1.00 0.00 N ATOM 33 CA THR A 3 -8.308 -9.853 1.732 1.00 0.00 C ATOM 34 C THR A 3 -9.347 -9.367 0.728 1.00 0.00 C ATOM 35 O THR A 3 -10.517 -9.741 0.804 1.00 0.00 O ATOM 36 CB THR A 3 -7.816 -11.262 1.378 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.082 -11.794 2.460 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.882 -11.217 0.167 1.00 0.00 C ATOM 0 H THR A 3 -9.529 -10.526 3.291 1.00 0.00 H new ATOM 0 HA THR A 3 -7.447 -9.187 1.683 1.00 0.00 H new ATOM 0 HB THR A 3 -8.688 -11.877 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.770 -12.695 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.543 -12.226 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.416 -10.804 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.021 -10.589 0.395 1.00 0.00 H new ATOM 46 N PHE A 4 -8.903 -8.537 -0.215 1.00 0.00 N ATOM 47 CA PHE A 4 -9.699 -7.941 -1.289 1.00 0.00 C ATOM 48 C PHE A 4 -9.433 -8.656 -2.622 1.00 0.00 C ATOM 49 O PHE A 4 -8.366 -9.241 -2.835 1.00 0.00 O ATOM 50 CB PHE A 4 -9.351 -6.438 -1.397 1.00 0.00 C ATOM 51 CG PHE A 4 -9.775 -5.601 -0.198 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.058 -5.671 1.014 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.909 -4.766 -0.279 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.504 -4.968 2.147 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.354 -4.063 0.856 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.662 -4.175 2.073 1.00 0.00 C ATOM 0 H PHE A 4 -7.926 -8.246 -0.253 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.759 -8.052 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.274 -6.337 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.823 -6.033 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.160 -6.269 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.438 -4.666 -1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.956 -5.037 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.230 -3.435 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.019 -3.654 2.949 1.00 0.00 H new ATOM 66 N THR A 5 -10.400 -8.579 -3.539 1.00 0.00 N ATOM 67 CA THR A 5 -10.238 -8.951 -4.959 1.00 0.00 C ATOM 68 C THR A 5 -9.609 -7.781 -5.695 1.00 0.00 C ATOM 69 O THR A 5 -9.578 -6.669 -5.171 1.00 0.00 O ATOM 70 CB THR A 5 -11.587 -9.260 -5.625 1.00 0.00 C ATOM 71 OG1 THR A 5 -12.539 -8.293 -5.246 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.113 -10.634 -5.266 1.00 0.00 C ATOM 0 H THR A 5 -11.340 -8.250 -3.317 1.00 0.00 H new ATOM 0 HA THR A 5 -9.614 -9.844 -5.006 1.00 0.00 H new ATOM 0 HB THR A 5 -11.421 -9.237 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.397 -8.493 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.068 -10.799 -5.764 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.400 -11.392 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.250 -10.701 -4.187 1.00 0.00 H new ATOM 80 N ARG A 6 -9.172 -7.986 -6.941 1.00 0.00 N ATOM 81 CA ARG A 6 -8.811 -6.851 -7.799 1.00 0.00 C ATOM 82 C ARG A 6 -10.040 -5.952 -8.009 1.00 0.00 C ATOM 83 O ARG A 6 -9.929 -4.730 -7.939 1.00 0.00 O ATOM 84 CB ARG A 6 -8.227 -7.352 -9.128 1.00 0.00 C ATOM 85 CG ARG A 6 -7.514 -6.223 -9.896 1.00 0.00 C ATOM 86 CD ARG A 6 -6.814 -6.737 -11.159 1.00 0.00 C ATOM 87 NE ARG A 6 -5.718 -7.667 -10.827 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.370 -8.773 -11.470 1.00 0.00 C ATOM 89 NH1 ARG A 6 -6.016 -9.208 -12.532 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.336 -9.457 -11.038 1.00 0.00 N ATOM 0 H ARG A 6 -9.061 -8.904 -7.372 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.039 -6.254 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.523 -8.162 -8.935 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.026 -7.764 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.240 -5.457 -10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.781 -5.748 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.539 -7.240 -11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.419 -5.894 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.162 -7.431 -10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.818 -8.688 -12.890 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.715 -10.064 -12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.816 -9.135 -10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.052 -10.311 -11.519 1.00 0.00 H new ATOM 104 N CYS A 7 -11.234 -6.548 -8.149 1.00 0.00 N ATOM 105 CA CYS A 7 -12.487 -5.798 -8.347 1.00 0.00 C ATOM 106 C CYS A 7 -12.852 -4.934 -7.132 1.00 0.00 C ATOM 107 O CYS A 7 -13.217 -3.769 -7.291 1.00 0.00 O ATOM 108 CB CYS A 7 -13.619 -6.773 -8.695 1.00 0.00 C ATOM 109 SG CYS A 7 -13.327 -7.757 -10.190 1.00 0.00 S ATOM 0 H CYS A 7 -11.360 -7.560 -8.128 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.338 -5.107 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.771 -7.449 -7.854 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.543 -6.208 -8.821 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.339 -8.548 -10.394 1.00 0.00 H new ATOM 114 N GLY A 8 -12.664 -5.467 -5.920 1.00 0.00 N ATOM 115 CA GLY A 8 -12.857 -4.745 -4.662 1.00 0.00 C ATOM 116 C GLY A 8 -11.779 -3.687 -4.456 1.00 0.00 C ATOM 117 O GLY A 8 -12.107 -2.552 -4.131 1.00 0.00 O ATOM 0 H GLY A 8 -12.367 -6.433 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.839 -4.271 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.841 -5.449 -3.830 1.00 0.00 H new ATOM 121 N LEU A 9 -10.506 -4.018 -4.703 1.00 0.00 N ATOM 122 CA LEU A 9 -9.371 -3.114 -4.534 1.00 0.00 C ATOM 123 C LEU A 9 -9.433 -1.919 -5.492 1.00 0.00 C ATOM 124 O LEU A 9 -9.326 -0.793 -5.020 1.00 0.00 O ATOM 125 CB LEU A 9 -8.075 -3.936 -4.677 1.00 0.00 C ATOM 126 CG LEU A 9 -6.803 -3.126 -4.386 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.791 -2.597 -2.946 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.563 -3.990 -4.637 1.00 0.00 C ATOM 0 H LEU A 9 -10.234 -4.944 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.399 -2.669 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.117 -4.788 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.018 -4.337 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.790 -2.268 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.877 -2.029 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.655 -1.951 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.833 -3.435 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.666 -3.408 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.589 -4.863 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.551 -4.315 -5.677 1.00 0.00 H new ATOM 140 N VAL A 10 -9.685 -2.132 -6.789 1.00 0.00 N ATOM 141 CA VAL A 10 -9.865 -1.039 -7.772 1.00 0.00 C ATOM 142 C VAL A 10 -10.921 -0.033 -7.286 1.00 0.00 C ATOM 143 O VAL A 10 -10.724 1.176 -7.373 1.00 0.00 O ATOM 144 CB VAL A 10 -10.261 -1.594 -9.166 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.772 -0.511 -10.133 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.078 -2.306 -9.836 1.00 0.00 C ATOM 0 H VAL A 10 -9.771 -3.064 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.909 -0.525 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.074 -2.294 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.031 -0.969 -11.088 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.655 -0.032 -9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.993 0.236 -10.288 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.386 -2.684 -10.811 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.255 -1.603 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.752 -3.137 -9.211 1.00 0.00 H new ATOM 156 N HIS A 11 -12.021 -0.534 -6.718 1.00 0.00 N ATOM 157 CA HIS A 11 -13.118 0.281 -6.182 1.00 0.00 C ATOM 158 C HIS A 11 -12.763 0.977 -4.854 1.00 0.00 C ATOM 159 O HIS A 11 -13.067 2.157 -4.680 1.00 0.00 O ATOM 160 CB HIS A 11 -14.358 -0.605 -6.011 1.00 0.00 C ATOM 161 CG HIS A 11 -15.102 -0.913 -7.288 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.479 -1.137 -7.353 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.579 -0.987 -8.551 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.752 -1.349 -8.650 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.636 -1.266 -9.392 1.00 0.00 N ATOM 0 H HIS A 11 -12.179 -1.536 -6.615 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.316 1.080 -6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.054 -1.545 -5.549 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.043 -0.116 -5.318 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.545 -0.854 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.736 -1.558 -9.043 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.580 -1.388 -10.403 1.00 0.00 H new ATOM 173 N GLU A 12 -12.091 0.280 -3.938 1.00 0.00 N ATOM 174 CA GLU A 12 -11.675 0.813 -2.637 1.00 0.00 C ATOM 175 C GLU A 12 -10.664 1.956 -2.807 1.00 0.00 C ATOM 176 O GLU A 12 -10.771 2.987 -2.151 1.00 0.00 O ATOM 177 CB GLU A 12 -11.109 -0.338 -1.781 1.00 0.00 C ATOM 178 CG GLU A 12 -11.429 -0.226 -0.288 1.00 0.00 C ATOM 179 CD GLU A 12 -12.944 -0.240 -0.021 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.583 -1.308 -0.151 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.515 0.825 0.308 1.00 0.00 O ATOM 0 H GLU A 12 -11.814 -0.691 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.537 1.238 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.503 -1.282 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.027 -0.372 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.959 -1.052 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.000 0.695 0.107 1.00 0.00 H new ATOM 188 N LEU A 13 -9.740 1.831 -3.762 1.00 0.00 N ATOM 189 CA LEU A 13 -8.767 2.878 -4.087 1.00 0.00 C ATOM 190 C LEU A 13 -9.411 4.045 -4.845 1.00 0.00 C ATOM 191 O LEU A 13 -9.109 5.203 -4.556 1.00 0.00 O ATOM 192 CB LEU A 13 -7.629 2.242 -4.890 1.00 0.00 C ATOM 193 CG LEU A 13 -6.866 1.132 -4.153 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.863 0.495 -5.118 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.129 1.624 -2.906 1.00 0.00 C ATOM 0 H LEU A 13 -9.645 0.994 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.373 3.305 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.039 1.831 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.923 3.022 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.605 0.407 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.315 -0.295 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.396 0.073 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.163 1.253 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.612 0.788 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.403 2.386 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.846 2.049 -2.204 1.00 0.00 H new ATOM 207 N ARG A 14 -10.349 3.763 -5.758 1.00 0.00 N ATOM 208 CA ARG A 14 -11.180 4.798 -6.407 1.00 0.00 C ATOM 209 C ARG A 14 -11.936 5.658 -5.377 1.00 0.00 C ATOM 210 O ARG A 14 -11.955 6.885 -5.494 1.00 0.00 O ATOM 211 CB ARG A 14 -12.180 4.167 -7.392 1.00 0.00 C ATOM 212 CG ARG A 14 -11.619 3.988 -8.813 1.00 0.00 C ATOM 213 CD ARG A 14 -12.524 3.047 -9.620 1.00 0.00 C ATOM 214 NE ARG A 14 -12.334 3.173 -11.077 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.794 2.324 -11.992 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.436 1.224 -11.665 1.00 0.00 N ATOM 217 NH2 ARG A 14 -12.626 2.575 -13.270 1.00 0.00 N ATOM 0 H ARG A 14 -10.557 2.815 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.500 5.448 -6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.490 3.195 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -13.073 4.791 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.551 4.955 -9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.609 3.582 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.327 2.017 -9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.566 3.256 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.805 3.979 -11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.595 0.999 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.775 0.596 -12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.141 3.423 -13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.980 1.922 -13.969 1.00 0.00 H new ATOM 231 N LYS A 15 -12.514 5.042 -4.338 1.00 0.00 N ATOM 232 CA LYS A 15 -13.151 5.748 -3.212 1.00 0.00 C ATOM 233 C LYS A 15 -12.137 6.554 -2.377 1.00 0.00 C ATOM 234 O LYS A 15 -12.441 7.662 -1.931 1.00 0.00 O ATOM 235 CB LYS A 15 -13.871 4.728 -2.313 1.00 0.00 C ATOM 236 CG LYS A 15 -15.133 4.114 -2.944 1.00 0.00 C ATOM 237 CD LYS A 15 -15.572 2.843 -2.199 1.00 0.00 C ATOM 238 CE LYS A 15 -15.945 3.121 -0.734 1.00 0.00 C ATOM 239 NZ LYS A 15 -16.087 1.864 0.041 1.00 0.00 N ATOM 0 H LYS A 15 -12.554 4.026 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.865 6.459 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.176 3.926 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.146 5.215 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.942 4.845 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.939 3.876 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.427 2.402 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.767 2.109 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.180 3.747 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.880 3.680 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.356 2.088 1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.823 1.270 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.182 1.351 0.039 1.00 0.00 H new ATOM 253 N HIS A 16 -10.925 6.025 -2.195 1.00 0.00 N ATOM 254 CA HIS A 16 -9.890 6.598 -1.325 1.00 0.00 C ATOM 255 C HIS A 16 -9.001 7.672 -1.999 1.00 0.00 C ATOM 256 O HIS A 16 -8.180 8.293 -1.318 1.00 0.00 O ATOM 257 CB HIS A 16 -9.088 5.446 -0.690 1.00 0.00 C ATOM 258 CG HIS A 16 -9.897 4.590 0.264 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.255 4.736 0.582 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.403 3.531 0.963 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.537 3.736 1.432 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.447 3.002 1.689 1.00 0.00 N ATOM 0 H HIS A 16 -10.627 5.166 -2.658 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.388 7.166 -0.539 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.690 4.813 -1.483 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.234 5.862 -0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.384 3.173 0.950 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.514 3.548 1.853 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.399 2.195 2.311 1.00 0.00 H new ATOM 270 N GLY A 17 -9.201 7.952 -3.296 1.00 0.00 N ATOM 271 CA GLY A 17 -8.591 9.085 -4.015 1.00 0.00 C ATOM 272 C GLY A 17 -7.416 8.721 -4.927 1.00 0.00 C ATOM 273 O GLY A 17 -6.578 9.580 -5.206 1.00 0.00 O ATOM 0 H GLY A 17 -9.806 7.384 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.360 9.570 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.249 9.817 -3.284 1.00 0.00 H new ATOM 277 N PHE A 18 -7.338 7.471 -5.389 1.00 0.00 N ATOM 278 CA PHE A 18 -6.331 6.999 -6.341 1.00 0.00 C ATOM 279 C PHE A 18 -6.827 7.218 -7.781 1.00 0.00 C ATOM 280 O PHE A 18 -7.987 6.936 -8.095 1.00 0.00 O ATOM 281 CB PHE A 18 -6.034 5.517 -6.081 1.00 0.00 C ATOM 282 CG PHE A 18 -5.315 5.210 -4.775 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.942 5.429 -3.533 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.010 4.685 -4.797 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.262 5.160 -2.336 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.330 4.401 -3.599 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.956 4.641 -2.366 1.00 0.00 C ATOM 0 H PHE A 18 -7.990 6.741 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.409 7.565 -6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.976 4.968 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.431 5.136 -6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.953 5.807 -3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.525 4.498 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.743 5.352 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.328 3.999 -3.628 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.436 4.428 -1.444 1.00 0.00 H new ATOM 297 N GLU A 19 -5.950 7.709 -8.660 1.00 0.00 N ATOM 298 CA GLU A 19 -6.274 7.965 -10.068 1.00 0.00 C ATOM 299 C GLU A 19 -6.473 6.649 -10.833 1.00 0.00 C ATOM 300 O GLU A 19 -5.627 5.755 -10.769 1.00 0.00 O ATOM 301 CB GLU A 19 -5.147 8.761 -10.745 1.00 0.00 C ATOM 302 CG GLU A 19 -4.922 10.168 -10.184 1.00 0.00 C ATOM 303 CD GLU A 19 -6.142 11.081 -10.393 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.419 11.467 -11.552 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.824 11.424 -9.399 1.00 0.00 O ATOM 0 H GLU A 19 -4.988 7.942 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.199 8.541 -10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.219 8.197 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.368 8.841 -11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.699 10.101 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.051 10.613 -10.664 1.00 0.00 H new ATOM 312 N GLU A 20 -7.559 6.535 -11.603 1.00 0.00 N ATOM 313 CA GLU A 20 -7.869 5.292 -12.319 1.00 0.00 C ATOM 314 C GLU A 20 -6.861 4.947 -13.437 1.00 0.00 C ATOM 315 O GLU A 20 -6.733 3.778 -13.801 1.00 0.00 O ATOM 316 CB GLU A 20 -9.328 5.256 -12.793 1.00 0.00 C ATOM 317 CG GLU A 20 -9.663 6.216 -13.944 1.00 0.00 C ATOM 318 CD GLU A 20 -11.159 6.176 -14.305 1.00 0.00 C ATOM 319 OE1 GLU A 20 -11.816 5.126 -14.103 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.685 7.200 -14.803 1.00 0.00 O ATOM 0 H GLU A 20 -8.236 7.284 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.753 4.490 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.567 4.240 -13.107 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.975 5.488 -11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.384 7.232 -13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.070 5.953 -14.820 1.00 0.00 H new ATOM 327 N ASN A 21 -6.078 5.922 -13.924 1.00 0.00 N ATOM 328 CA ASN A 21 -4.968 5.670 -14.854 1.00 0.00 C ATOM 329 C ASN A 21 -3.720 5.075 -14.163 1.00 0.00 C ATOM 330 O ASN A 21 -2.930 4.380 -14.807 1.00 0.00 O ATOM 331 CB ASN A 21 -4.642 6.945 -15.657 1.00 0.00 C ATOM 332 CG ASN A 21 -3.698 7.913 -14.944 1.00 0.00 C ATOM 333 OD1 ASN A 21 -2.484 7.755 -14.969 1.00 0.00 O ATOM 334 ND2 ASN A 21 -4.211 8.940 -14.295 1.00 0.00 N ATOM 0 H ASN A 21 -6.197 6.906 -13.684 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.298 4.902 -15.554 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.197 6.657 -16.609 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.573 7.465 -15.885 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.597 9.599 -13.816 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.222 9.075 -14.272 1.00 0.00 H new ATOM 341 N LEU A 22 -3.561 5.300 -12.849 1.00 0.00 N ATOM 342 CA LEU A 22 -2.492 4.716 -12.027 1.00 0.00 C ATOM 343 C LEU A 22 -2.907 3.381 -11.393 1.00 0.00 C ATOM 344 O LEU A 22 -2.044 2.620 -10.961 1.00 0.00 O ATOM 345 CB LEU A 22 -2.075 5.718 -10.931 1.00 0.00 C ATOM 346 CG LEU A 22 -1.567 7.088 -11.420 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.154 7.932 -10.206 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.389 6.982 -12.398 1.00 0.00 C ATOM 0 H LEU A 22 -4.186 5.906 -12.318 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.646 4.510 -12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.930 5.884 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.293 5.259 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.385 7.560 -11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.793 8.903 -10.544 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.014 8.072 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.361 7.421 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.079 7.981 -12.704 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.445 6.477 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.695 6.412 -13.276 1.00 0.00 H new ATOM 360 N MET A 23 -4.208 3.077 -11.353 1.00 0.00 N ATOM 361 CA MET A 23 -4.794 1.906 -10.687 1.00 0.00 C ATOM 362 C MET A 23 -4.110 0.585 -11.062 1.00 0.00 C ATOM 363 O MET A 23 -3.754 -0.186 -10.171 1.00 0.00 O ATOM 364 CB MET A 23 -6.297 1.891 -11.005 1.00 0.00 C ATOM 365 CG MET A 23 -7.140 1.078 -10.018 1.00 0.00 C ATOM 366 SD MET A 23 -7.060 1.670 -8.314 1.00 0.00 S ATOM 367 CE MET A 23 -7.692 3.351 -8.542 1.00 0.00 C ATOM 0 H MET A 23 -4.912 3.663 -11.802 1.00 0.00 H new ATOM 0 HA MET A 23 -4.635 1.994 -9.612 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.664 2.917 -11.019 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.441 1.487 -12.007 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.179 1.092 -10.347 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.811 0.039 -10.046 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.219 3.667 -7.642 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.861 4.030 -8.733 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.377 3.370 -9.389 1.00 0.00 H new ATOM 377 N ARG A 24 -3.826 0.359 -12.354 1.00 0.00 N ATOM 378 CA ARG A 24 -3.092 -0.821 -12.844 1.00 0.00 C ATOM 379 C ARG A 24 -1.721 -0.999 -12.170 1.00 0.00 C ATOM 380 O ARG A 24 -1.376 -2.110 -11.771 1.00 0.00 O ATOM 381 CB ARG A 24 -2.914 -0.742 -14.371 1.00 0.00 C ATOM 382 CG ARG A 24 -4.246 -0.682 -15.132 1.00 0.00 C ATOM 383 CD ARG A 24 -4.059 -0.732 -16.654 1.00 0.00 C ATOM 384 NE ARG A 24 -3.606 -2.061 -17.101 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.198 -2.395 -18.320 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.156 -1.522 -19.304 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.823 -3.630 -18.568 1.00 0.00 N ATOM 0 H ARG A 24 -4.103 0.999 -13.099 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.694 -1.692 -12.582 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.323 0.140 -14.616 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.348 -1.610 -14.710 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.876 -1.515 -14.820 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.772 0.234 -14.864 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.000 -0.483 -17.145 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.332 0.022 -16.957 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.606 -2.802 -16.401 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.442 -0.556 -19.142 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.837 -1.811 -20.229 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.846 -4.329 -17.825 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.509 -3.890 -19.503 1.00 0.00 H new ATOM 401 N ASN A 25 -0.959 0.086 -11.984 1.00 0.00 N ATOM 402 CA ASN A 25 0.309 0.065 -11.243 1.00 0.00 C ATOM 403 C ASN A 25 0.074 -0.203 -9.750 1.00 0.00 C ATOM 404 O ASN A 25 0.718 -1.083 -9.182 1.00 0.00 O ATOM 405 CB ASN A 25 1.075 1.387 -11.426 1.00 0.00 C ATOM 406 CG ASN A 25 1.684 1.532 -12.814 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.758 1.012 -13.085 1.00 0.00 O ATOM 408 ND2 ASN A 25 1.037 2.244 -13.719 1.00 0.00 N ATOM 0 H ASN A 25 -1.206 1.008 -12.345 1.00 0.00 H new ATOM 0 HA ASN A 25 0.912 -0.747 -11.649 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.398 2.222 -11.243 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.867 1.449 -10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.432 2.364 -14.652 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.142 2.674 -13.485 1.00 0.00 H new ATOM 415 N TRP A 26 -0.882 0.498 -9.126 1.00 0.00 N ATOM 416 CA TRP A 26 -1.182 0.366 -7.700 1.00 0.00 C ATOM 417 C TRP A 26 -1.656 -1.047 -7.327 1.00 0.00 C ATOM 418 O TRP A 26 -1.092 -1.642 -6.408 1.00 0.00 O ATOM 419 CB TRP A 26 -2.197 1.443 -7.288 1.00 0.00 C ATOM 420 CG TRP A 26 -1.632 2.817 -7.077 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.917 3.922 -7.804 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.727 3.265 -6.019 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.286 5.021 -7.248 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.578 4.681 -6.113 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.040 2.617 -4.969 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.151 5.425 -5.171 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.720 3.348 -4.036 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.803 4.750 -4.125 1.00 0.00 C ATOM 0 H TRP A 26 -1.473 1.178 -9.604 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.260 0.521 -7.140 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.970 1.501 -8.054 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.685 1.124 -6.367 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.542 3.943 -8.685 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.338 5.965 -7.630 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.099 1.542 -4.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.210 6.501 -5.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.243 2.829 -3.246 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.367 5.306 -3.391 1.00 0.00 H new ATOM 439 N VAL A 27 -2.616 -1.628 -8.058 1.00 0.00 N ATOM 440 CA VAL A 27 -3.099 -2.990 -7.745 1.00 0.00 C ATOM 441 C VAL A 27 -2.017 -4.046 -7.980 1.00 0.00 C ATOM 442 O VAL A 27 -1.906 -4.969 -7.185 1.00 0.00 O ATOM 443 CB VAL A 27 -4.411 -3.404 -8.453 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.523 -2.376 -8.212 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.245 -3.684 -9.955 1.00 0.00 C ATOM 0 H VAL A 27 -3.071 -1.189 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.339 -2.943 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.700 -4.352 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.431 -2.696 -8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.717 -2.294 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.212 -1.406 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.207 -3.968 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.878 -2.787 -10.454 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.532 -4.496 -10.097 1.00 0.00 H new ATOM 455 N CYS A 28 -1.165 -3.889 -9.002 1.00 0.00 N ATOM 456 CA CYS A 28 -0.092 -4.853 -9.292 1.00 0.00 C ATOM 457 C CYS A 28 1.034 -4.800 -8.247 1.00 0.00 C ATOM 458 O CYS A 28 1.517 -5.839 -7.796 1.00 0.00 O ATOM 459 CB CYS A 28 0.421 -4.591 -10.708 1.00 0.00 C ATOM 460 SG CYS A 28 1.353 -5.966 -11.433 1.00 0.00 S ATOM 0 H CYS A 28 -1.198 -3.099 -9.646 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.491 -5.866 -9.234 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.428 -4.364 -11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.056 -3.705 -10.693 1.00 0.00 H new ATOM 0 HG CYS A 28 1.741 -5.643 -12.631 1.00 0.00 H new ATOM 465 N LEU A 29 1.371 -3.589 -7.783 1.00 0.00 N ATOM 466 CA LEU A 29 2.257 -3.328 -6.645 1.00 0.00 C ATOM 467 C LEU A 29 1.685 -3.982 -5.378 1.00 0.00 C ATOM 468 O LEU A 29 2.346 -4.819 -4.767 1.00 0.00 O ATOM 469 CB LEU A 29 2.433 -1.793 -6.566 1.00 0.00 C ATOM 470 CG LEU A 29 3.350 -1.201 -5.476 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.537 0.296 -5.775 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.772 -1.330 -4.061 1.00 0.00 C ATOM 0 H LEU A 29 1.019 -2.732 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 29 3.246 -3.773 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.809 -1.455 -7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.443 -1.354 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 29 4.287 -1.758 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.183 0.740 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.994 0.417 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.567 0.794 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.467 -0.894 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.818 -0.805 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.620 -2.383 -3.825 1.00 0.00 H new ATOM 484 N VAL A 30 0.440 -3.663 -5.018 1.00 0.00 N ATOM 485 CA VAL A 30 -0.233 -4.194 -3.815 1.00 0.00 C ATOM 486 C VAL A 30 -0.351 -5.727 -3.845 1.00 0.00 C ATOM 487 O VAL A 30 -0.116 -6.380 -2.828 1.00 0.00 O ATOM 488 CB VAL A 30 -1.614 -3.521 -3.638 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.524 -4.248 -2.641 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.438 -2.066 -3.167 1.00 0.00 C ATOM 0 H VAL A 30 -0.142 -3.021 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 30 0.385 -3.951 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.095 -3.563 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.476 -3.722 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.699 -5.267 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.045 -4.273 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.417 -1.602 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.910 -2.054 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.863 -1.511 -3.908 1.00 0.00 H new ATOM 500 N GLU A 31 -0.652 -6.312 -5.010 1.00 0.00 N ATOM 501 CA GLU A 31 -0.722 -7.768 -5.200 1.00 0.00 C ATOM 502 C GLU A 31 0.627 -8.479 -4.985 1.00 0.00 C ATOM 503 O GLU A 31 0.634 -9.640 -4.579 1.00 0.00 O ATOM 504 CB GLU A 31 -1.240 -8.091 -6.613 1.00 0.00 C ATOM 505 CG GLU A 31 -2.763 -7.955 -6.698 1.00 0.00 C ATOM 506 CD GLU A 31 -3.323 -7.990 -8.123 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.632 -8.405 -9.080 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.523 -7.674 -8.282 1.00 0.00 O ATOM 0 H GLU A 31 -0.856 -5.783 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.409 -8.141 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.773 -7.421 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.949 -9.105 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.220 -8.759 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.059 -7.017 -6.227 1.00 0.00 H new ATOM 515 N HIS A 32 1.766 -7.809 -5.188 1.00 0.00 N ATOM 516 CA HIS A 32 3.081 -8.362 -4.859 1.00 0.00 C ATOM 517 C HIS A 32 3.473 -8.103 -3.390 1.00 0.00 C ATOM 518 O HIS A 32 4.053 -8.979 -2.745 1.00 0.00 O ATOM 519 CB HIS A 32 4.117 -7.790 -5.836 1.00 0.00 C ATOM 520 CG HIS A 32 5.499 -8.313 -5.557 1.00 0.00 C ATOM 521 ND1 HIS A 32 6.346 -7.809 -4.616 1.00 0.00 N flip ATOM 522 CD2 HIS A 32 6.078 -9.445 -6.131 1.00 0.00 C flip ATOM 523 CE1 HIS A 32 7.460 -8.617 -4.609 1.00 0.00 C flip ATOM 524 NE2 HIS A 32 7.266 -9.589 -5.520 1.00 0.00 N flip ATOM 0 H HIS A 32 1.801 -6.870 -5.584 1.00 0.00 H new ATOM 0 HA HIS A 32 3.044 -9.446 -4.967 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.832 -8.044 -6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.120 -6.702 -5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.660 -10.073 -6.904 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.333 -8.494 -3.985 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.932 -10.335 -5.720 1.00 0.00 H new ATOM 532 N GLU A 33 3.157 -6.916 -2.855 1.00 0.00 N ATOM 533 CA GLU A 33 3.606 -6.494 -1.525 1.00 0.00 C ATOM 534 C GLU A 33 2.800 -7.190 -0.415 1.00 0.00 C ATOM 535 O GLU A 33 3.379 -7.871 0.431 1.00 0.00 O ATOM 536 CB GLU A 33 3.543 -4.962 -1.383 1.00 0.00 C ATOM 537 CG GLU A 33 4.562 -4.198 -2.248 1.00 0.00 C ATOM 538 CD GLU A 33 6.036 -4.505 -1.933 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.389 -4.694 -0.746 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.850 -4.526 -2.885 1.00 0.00 O ATOM 0 H GLU A 33 2.583 -6.222 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 33 4.647 -6.798 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.539 -4.627 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.704 -4.700 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.373 -4.430 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.394 -3.128 -2.123 1.00 0.00 H new ATOM 547 N SER A 34 1.469 -7.078 -0.418 1.00 0.00 N ATOM 548 CA SER A 34 0.605 -7.662 0.622 1.00 0.00 C ATOM 549 C SER A 34 -0.285 -8.806 0.125 1.00 0.00 C ATOM 550 O SER A 34 -0.914 -9.485 0.934 1.00 0.00 O ATOM 551 CB SER A 34 -0.303 -6.577 1.203 1.00 0.00 C ATOM 552 OG SER A 34 -1.204 -6.106 0.214 1.00 0.00 O ATOM 0 H SER A 34 0.954 -6.578 -1.143 1.00 0.00 H new ATOM 0 HA SER A 34 1.281 -8.075 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.860 -6.975 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.301 -5.750 1.578 1.00 0.00 H new ATOM 0 HG SER A 34 -1.088 -5.140 0.099 1.00 0.00 H new ATOM 558 N SER A 35 -0.372 -9.007 -1.192 1.00 0.00 N ATOM 559 CA SER A 35 -1.333 -9.898 -1.860 1.00 0.00 C ATOM 560 C SER A 35 -2.788 -9.394 -1.754 1.00 0.00 C ATOM 561 O SER A 35 -3.724 -10.196 -1.818 1.00 0.00 O ATOM 562 CB SER A 35 -1.239 -11.360 -1.383 1.00 0.00 C ATOM 563 OG SER A 35 0.094 -11.832 -1.189 1.00 0.00 O ATOM 0 H SER A 35 0.248 -8.537 -1.851 1.00 0.00 H new ATOM 0 HA SER A 35 -1.045 -9.877 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.787 -11.460 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.736 -12.000 -2.112 1.00 0.00 H new ATOM 0 HG SER A 35 0.070 -12.764 -0.886 1.00 0.00 H new ATOM 569 N ARG A 36 -2.990 -8.078 -1.559 1.00 0.00 N ATOM 570 CA ARG A 36 -4.303 -7.444 -1.333 1.00 0.00 C ATOM 571 C ARG A 36 -4.904 -7.806 0.040 1.00 0.00 C ATOM 572 O ARG A 36 -6.125 -7.811 0.197 1.00 0.00 O ATOM 573 CB ARG A 36 -5.316 -7.728 -2.467 1.00 0.00 C ATOM 574 CG ARG A 36 -4.740 -7.692 -3.890 1.00 0.00 C ATOM 575 CD ARG A 36 -5.849 -7.699 -4.953 1.00 0.00 C ATOM 576 NE ARG A 36 -6.533 -9.003 -4.974 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.546 -9.919 -5.933 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.018 -9.728 -7.124 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.125 -11.075 -5.693 1.00 0.00 N ATOM 0 H ARG A 36 -2.222 -7.406 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.107 -6.372 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.759 -8.709 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.123 -6.998 -2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.126 -6.800 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.087 -8.552 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.568 -6.908 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.422 -7.489 -5.934 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.070 -9.233 -4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.570 -8.839 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.057 -10.469 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.552 -11.252 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.147 -11.794 -6.416 1.00 0.00 H new ATOM 593 N ASP A 37 -4.068 -8.104 1.037 1.00 0.00 N ATOM 594 CA ASP A 37 -4.474 -8.530 2.391 1.00 0.00 C ATOM 595 C ASP A 37 -3.979 -7.547 3.459 1.00 0.00 C ATOM 596 O ASP A 37 -2.769 -7.360 3.621 1.00 0.00 O ATOM 597 CB ASP A 37 -3.948 -9.948 2.678 1.00 0.00 C ATOM 598 CG ASP A 37 -4.228 -10.443 4.111 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.149 -9.920 4.782 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.495 -11.355 4.562 1.00 0.00 O ATOM 0 H ASP A 37 -3.055 -8.056 0.927 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.563 -8.540 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.400 -10.642 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.873 -9.968 2.501 1.00 0.00 H new ATOM 605 N THR A 38 -4.911 -6.923 4.197 1.00 0.00 N ATOM 606 CA THR A 38 -4.547 -5.948 5.242 1.00 0.00 C ATOM 607 C THR A 38 -3.844 -6.609 6.423 1.00 0.00 C ATOM 608 O THR A 38 -3.044 -5.955 7.082 1.00 0.00 O ATOM 609 CB THR A 38 -5.719 -5.110 5.768 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.727 -5.912 6.321 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.370 -4.243 4.702 1.00 0.00 C ATOM 0 H THR A 38 -5.914 -7.073 4.092 1.00 0.00 H new ATOM 0 HA THR A 38 -3.864 -5.267 4.734 1.00 0.00 H new ATOM 0 HB THR A 38 -5.271 -4.469 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.367 -5.347 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.191 -3.678 5.144 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.632 -3.552 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.755 -4.876 3.903 1.00 0.00 H new ATOM 619 N SER A 39 -4.069 -7.897 6.681 1.00 0.00 N ATOM 620 CA SER A 39 -3.456 -8.621 7.802 1.00 0.00 C ATOM 621 C SER A 39 -1.986 -9.026 7.557 1.00 0.00 C ATOM 622 O SER A 39 -1.339 -9.574 8.453 1.00 0.00 O ATOM 623 CB SER A 39 -4.283 -9.875 8.122 1.00 0.00 C ATOM 624 OG SER A 39 -5.593 -9.557 8.579 1.00 0.00 O ATOM 0 H SER A 39 -4.688 -8.476 6.114 1.00 0.00 H new ATOM 0 HA SER A 39 -3.451 -7.929 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.353 -10.498 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.768 -10.463 8.882 1.00 0.00 H new ATOM 0 HG SER A 39 -6.083 -10.384 8.769 1.00 0.00 H new ATOM 630 N LYS A 40 -1.435 -8.783 6.360 1.00 0.00 N ATOM 631 CA LYS A 40 -0.092 -9.230 5.980 1.00 0.00 C ATOM 632 C LYS A 40 1.029 -8.416 6.666 1.00 0.00 C ATOM 633 O LYS A 40 0.933 -7.190 6.809 1.00 0.00 O ATOM 634 CB LYS A 40 0.017 -9.195 4.443 1.00 0.00 C ATOM 635 CG LYS A 40 1.217 -9.979 3.877 1.00 0.00 C ATOM 636 CD LYS A 40 1.152 -11.508 4.054 1.00 0.00 C ATOM 637 CE LYS A 40 -0.122 -12.175 3.502 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.271 -12.023 2.030 1.00 0.00 N ATOM 0 H LYS A 40 -1.915 -8.266 5.623 1.00 0.00 H new ATOM 0 HA LYS A 40 0.052 -10.252 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.901 -9.599 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.090 -8.157 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.305 -9.757 2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.126 -9.614 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.018 -11.952 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.234 -11.739 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.106 -13.236 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.993 -11.744 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.036 -12.642 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.501 -11.034 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.620 -12.286 1.562 1.00 0.00 H new ATOM 652 N THR A 41 2.131 -9.093 7.006 1.00 0.00 N ATOM 653 CA THR A 41 3.327 -8.546 7.679 1.00 0.00 C ATOM 654 C THR A 41 4.597 -9.239 7.204 1.00 0.00 C ATOM 655 O THR A 41 4.572 -10.407 6.815 1.00 0.00 O ATOM 656 CB THR A 41 3.246 -8.653 9.215 1.00 0.00 C ATOM 657 OG1 THR A 41 2.676 -9.895 9.581 1.00 0.00 O ATOM 658 CG2 THR A 41 2.449 -7.530 9.882 1.00 0.00 C ATOM 0 H THR A 41 2.223 -10.090 6.811 1.00 0.00 H new ATOM 0 HA THR A 41 3.360 -7.490 7.409 1.00 0.00 H new ATOM 0 HB THR A 41 4.273 -8.565 9.570 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.629 -9.958 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.441 -7.681 10.961 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.912 -6.570 9.653 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.425 -7.538 9.507 1.00 0.00 H new ATOM 666 N ASN A 42 5.714 -8.511 7.270 1.00 0.00 N ATOM 667 CA ASN A 42 7.054 -8.967 6.871 1.00 0.00 C ATOM 668 C ASN A 42 8.143 -8.277 7.715 1.00 0.00 C ATOM 669 O ASN A 42 8.199 -7.045 7.771 1.00 0.00 O ATOM 670 CB ASN A 42 7.267 -8.677 5.375 1.00 0.00 C ATOM 671 CG ASN A 42 6.588 -9.694 4.463 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.067 -10.810 4.286 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.479 -9.339 3.840 1.00 0.00 N ATOM 0 H ASN A 42 5.714 -7.551 7.615 1.00 0.00 H new ATOM 0 HA ASN A 42 7.129 -10.040 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.885 -7.682 5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.336 -8.665 5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.017 -9.993 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.085 -8.410 3.990 1.00 0.00 H new ATOM 680 N THR A 43 9.003 -9.059 8.381 1.00 0.00 N ATOM 681 CA THR A 43 10.058 -8.571 9.296 1.00 0.00 C ATOM 682 C THR A 43 11.376 -8.390 8.546 1.00 0.00 C ATOM 683 O THR A 43 11.711 -9.183 7.665 1.00 0.00 O ATOM 684 CB THR A 43 10.222 -9.529 10.483 1.00 0.00 C ATOM 685 OG1 THR A 43 8.948 -9.770 11.042 1.00 0.00 O ATOM 686 CG2 THR A 43 11.104 -8.942 11.590 1.00 0.00 C ATOM 0 H THR A 43 8.989 -10.076 8.300 1.00 0.00 H new ATOM 0 HA THR A 43 9.759 -7.598 9.687 1.00 0.00 H new ATOM 0 HB THR A 43 10.693 -10.438 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.035 -10.383 11.802 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.188 -9.659 12.407 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.095 -8.729 11.191 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.656 -8.020 11.961 1.00 0.00 H new ATOM 694 N ASN A 44 12.126 -7.346 8.899 1.00 0.00 N ATOM 695 CA ASN A 44 13.371 -6.929 8.244 1.00 0.00 C ATOM 696 C ASN A 44 14.615 -7.263 9.089 1.00 0.00 C ATOM 697 O ASN A 44 14.543 -7.382 10.316 1.00 0.00 O ATOM 698 CB ASN A 44 13.320 -5.415 7.970 1.00 0.00 C ATOM 699 CG ASN A 44 12.132 -5.010 7.102 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.211 -4.989 5.880 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.016 -4.678 7.720 1.00 0.00 N ATOM 0 H ASN A 44 11.874 -6.741 9.681 1.00 0.00 H new ATOM 0 HA ASN A 44 13.456 -7.482 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.270 -4.880 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.244 -5.108 7.480 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.198 -4.397 7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.971 -4.702 8.739 1.00 0.00 H new ATOM 708 N ARG A 45 15.786 -7.321 8.439 1.00 0.00 N ATOM 709 CA ARG A 45 17.093 -7.570 9.085 1.00 0.00 C ATOM 710 C ARG A 45 17.503 -6.465 10.078 1.00 0.00 C ATOM 711 O ARG A 45 18.263 -6.713 11.015 1.00 0.00 O ATOM 712 CB ARG A 45 18.191 -7.747 8.021 1.00 0.00 C ATOM 713 CG ARG A 45 17.872 -8.880 7.036 1.00 0.00 C ATOM 714 CD ARG A 45 19.039 -9.130 6.072 1.00 0.00 C ATOM 715 NE ARG A 45 18.715 -10.187 5.095 1.00 0.00 N ATOM 716 CZ ARG A 45 18.828 -11.501 5.267 1.00 0.00 C ATOM 717 NH1 ARG A 45 19.260 -12.029 6.395 1.00 0.00 N ATOM 718 NH2 ARG A 45 18.502 -12.315 4.286 1.00 0.00 N ATOM 0 H ARG A 45 15.858 -7.194 7.429 1.00 0.00 H new ATOM 0 HA ARG A 45 16.979 -8.488 9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.314 -6.814 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.141 -7.954 8.514 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.653 -9.794 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.976 -8.629 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.281 -8.207 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.926 -9.416 6.638 1.00 0.00 H new ATOM 0 HE ARG A 45 18.366 -9.876 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.521 -11.424 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.333 -13.042 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.165 -11.937 3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.586 -13.324 4.411 1.00 0.00 H new ATOM 732 N ASN A 46 16.954 -5.259 9.903 1.00 0.00 N ATOM 733 CA ASN A 46 17.106 -4.110 10.808 1.00 0.00 C ATOM 734 C ASN A 46 16.347 -4.268 12.152 1.00 0.00 C ATOM 735 O ASN A 46 16.616 -3.531 13.103 1.00 0.00 O ATOM 736 CB ASN A 46 16.645 -2.859 10.035 1.00 0.00 C ATOM 737 CG ASN A 46 16.830 -1.558 10.813 1.00 0.00 C ATOM 738 OD1 ASN A 46 15.880 -0.982 11.331 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.048 -1.054 10.910 1.00 0.00 N ATOM 0 H ASN A 46 16.368 -5.046 9.096 1.00 0.00 H new ATOM 0 HA ASN A 46 18.152 -4.026 11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.200 -2.795 9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.593 -2.970 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.200 -0.182 11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.836 -1.537 10.477 1.00 0.00 H new ATOM 746 N GLY A 47 15.405 -5.220 12.244 1.00 0.00 N ATOM 747 CA GLY A 47 14.541 -5.460 13.413 1.00 0.00 C ATOM 748 C GLY A 47 13.191 -4.734 13.353 1.00 0.00 C ATOM 749 O GLY A 47 12.344 -4.945 14.219 1.00 0.00 O ATOM 0 H GLY A 47 15.217 -5.868 11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.362 -6.531 13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.070 -5.147 14.313 1.00 0.00 H new ATOM 753 N SER A 48 12.969 -3.900 12.338 1.00 0.00 N ATOM 754 CA SER A 48 11.673 -3.292 12.017 1.00 0.00 C ATOM 755 C SER A 48 10.762 -4.264 11.245 1.00 0.00 C ATOM 756 O SER A 48 11.216 -5.250 10.654 1.00 0.00 O ATOM 757 CB SER A 48 11.911 -2.005 11.213 1.00 0.00 C ATOM 758 OG SER A 48 12.665 -2.261 10.031 1.00 0.00 O ATOM 0 H SER A 48 13.708 -3.618 11.694 1.00 0.00 H new ATOM 0 HA SER A 48 11.158 -3.052 12.947 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.953 -1.559 10.946 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.438 -1.280 11.833 1.00 0.00 H new ATOM 0 HG SER A 48 12.798 -1.423 9.540 1.00 0.00 H new ATOM 764 N LYS A 49 9.461 -3.977 11.211 1.00 0.00 N ATOM 765 CA LYS A 49 8.447 -4.781 10.522 1.00 0.00 C ATOM 766 C LYS A 49 7.584 -3.912 9.595 1.00 0.00 C ATOM 767 O LYS A 49 7.379 -2.719 9.832 1.00 0.00 O ATOM 768 CB LYS A 49 7.627 -5.573 11.564 1.00 0.00 C ATOM 769 CG LYS A 49 6.766 -6.692 10.957 1.00 0.00 C ATOM 770 CD LYS A 49 6.281 -7.717 11.992 1.00 0.00 C ATOM 771 CE LYS A 49 5.435 -7.110 13.114 1.00 0.00 C ATOM 772 NZ LYS A 49 5.014 -8.137 14.103 1.00 0.00 N ATOM 0 H LYS A 49 9.071 -3.156 11.674 1.00 0.00 H new ATOM 0 HA LYS A 49 8.931 -5.507 9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.309 -6.008 12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.980 -4.882 12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.901 -6.248 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.342 -7.207 10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.697 -8.484 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.146 -8.214 12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.006 -6.331 13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.553 -6.633 12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.443 -7.688 14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.448 -8.867 13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.856 -8.575 14.529 1.00 0.00 H new ATOM 786 N ASP A 50 7.104 -4.535 8.525 1.00 0.00 N ATOM 787 CA ASP A 50 6.230 -3.959 7.510 1.00 0.00 C ATOM 788 C ASP A 50 4.788 -4.420 7.756 1.00 0.00 C ATOM 789 O ASP A 50 4.570 -5.585 8.087 1.00 0.00 O ATOM 790 CB ASP A 50 6.678 -4.437 6.122 1.00 0.00 C ATOM 791 CG ASP A 50 8.117 -4.081 5.702 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.813 -3.316 6.409 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.555 -4.598 4.646 1.00 0.00 O ATOM 0 H ASP A 50 7.327 -5.511 8.332 1.00 0.00 H new ATOM 0 HA ASP A 50 6.283 -2.872 7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.570 -5.521 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.994 -4.022 5.381 1.00 0.00 H new ATOM 798 N TYR A 51 3.808 -3.529 7.584 1.00 0.00 N ATOM 799 CA TYR A 51 2.408 -3.739 7.987 1.00 0.00 C ATOM 800 C TYR A 51 1.399 -3.224 6.948 1.00 0.00 C ATOM 801 O TYR A 51 1.638 -2.225 6.264 1.00 0.00 O ATOM 802 CB TYR A 51 2.152 -2.996 9.309 1.00 0.00 C ATOM 803 CG TYR A 51 2.970 -3.424 10.512 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.260 -2.898 10.710 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.401 -4.257 11.495 1.00 0.00 C ATOM 806 CE1 TYR A 51 4.967 -3.179 11.891 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.098 -4.530 12.688 1.00 0.00 C ATOM 808 CZ TYR A 51 4.372 -3.959 12.904 1.00 0.00 C ATOM 809 OH TYR A 51 5.030 -4.156 14.081 1.00 0.00 O ATOM 0 H TYR A 51 3.966 -2.619 7.151 1.00 0.00 H new ATOM 0 HA TYR A 51 2.264 -4.815 8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.329 -1.934 9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.097 -3.107 9.560 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.709 -2.275 9.950 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.424 -4.689 11.333 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.968 -2.797 12.023 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.660 -5.174 13.436 1.00 0.00 H new ATOM 0 HH TYR A 51 4.483 -4.715 14.672 1.00 0.00 H new ATOM 819 N GLY A 52 0.233 -3.870 6.857 1.00 0.00 N ATOM 820 CA GLY A 52 -0.904 -3.373 6.075 1.00 0.00 C ATOM 821 C GLY A 52 -0.763 -3.568 4.572 1.00 0.00 C ATOM 822 O GLY A 52 0.205 -4.146 4.079 1.00 0.00 O ATOM 0 H GLY A 52 0.050 -4.757 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.810 -3.877 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.035 -2.311 6.281 1.00 0.00 H new ATOM 826 N LEU A 53 -1.726 -3.047 3.813 1.00 0.00 N ATOM 827 CA LEU A 53 -1.855 -3.360 2.387 1.00 0.00 C ATOM 828 C LEU A 53 -0.705 -2.887 1.485 1.00 0.00 C ATOM 829 O LEU A 53 -0.489 -3.455 0.415 1.00 0.00 O ATOM 830 CB LEU A 53 -3.188 -2.780 1.881 1.00 0.00 C ATOM 831 CG LEU A 53 -3.836 -3.708 0.846 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.727 -4.720 1.552 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.698 -2.948 -0.142 1.00 0.00 C ATOM 0 H LEU A 53 -2.434 -2.402 4.163 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.819 -4.447 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.868 -2.636 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.017 -1.799 1.438 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.025 -4.197 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.186 -5.378 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.128 -5.312 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.506 -4.195 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.136 -3.646 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.493 -2.429 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.085 -2.221 -0.675 1.00 0.00 H new ATOM 845 N PHE A 54 0.055 -1.893 1.936 1.00 0.00 N ATOM 846 CA PHE A 54 1.219 -1.354 1.231 1.00 0.00 C ATOM 847 C PHE A 54 2.536 -1.745 1.926 1.00 0.00 C ATOM 848 O PHE A 54 3.582 -1.209 1.576 1.00 0.00 O ATOM 849 CB PHE A 54 1.042 0.167 1.075 1.00 0.00 C ATOM 850 CG PHE A 54 -0.206 0.580 0.312 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.444 0.658 0.976 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.138 0.880 -1.062 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.609 1.014 0.279 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.302 1.261 -1.756 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.537 1.325 -1.089 1.00 0.00 C ATOM 0 H PHE A 54 -0.125 -1.426 2.825 1.00 0.00 H new ATOM 0 HA PHE A 54 1.285 -1.792 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.014 0.621 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.916 0.571 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.498 0.442 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.806 0.818 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.558 1.049 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.245 1.505 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.428 1.613 -1.627 1.00 0.00 H new ATOM 865 N GLN A 55 2.491 -2.655 2.912 1.00 0.00 N ATOM 866 CA GLN A 55 3.644 -3.160 3.669 1.00 0.00 C ATOM 867 C GLN A 55 4.514 -2.006 4.212 1.00 0.00 C ATOM 868 O GLN A 55 5.698 -1.865 3.901 1.00 0.00 O ATOM 869 CB GLN A 55 4.430 -4.187 2.828 1.00 0.00 C ATOM 870 CG GLN A 55 3.665 -5.494 2.586 1.00 0.00 C ATOM 871 CD GLN A 55 3.306 -6.231 3.878 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.122 -6.900 4.495 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.086 -6.120 4.357 1.00 0.00 N ATOM 0 H GLN A 55 1.613 -3.076 3.215 1.00 0.00 H new ATOM 0 HA GLN A 55 3.285 -3.690 4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.683 -3.740 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.370 -4.413 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.751 -5.275 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.268 -6.149 1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.390 -5.566 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.836 -6.588 5.228 1.00 0.00 H new ATOM 882 N ILE A 56 3.885 -1.131 4.996 1.00 0.00 N ATOM 883 CA ILE A 56 4.452 0.129 5.484 1.00 0.00 C ATOM 884 C ILE A 56 5.276 -0.130 6.751 1.00 0.00 C ATOM 885 O ILE A 56 4.819 -0.833 7.651 1.00 0.00 O ATOM 886 CB ILE A 56 3.319 1.158 5.725 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.379 1.235 4.496 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.929 2.530 6.008 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.283 2.303 4.545 1.00 0.00 C ATOM 0 H ILE A 56 2.931 -1.285 5.322 1.00 0.00 H new ATOM 0 HA ILE A 56 5.123 0.550 4.735 1.00 0.00 H new ATOM 0 HB ILE A 56 2.730 0.839 6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.989 1.411 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.903 0.263 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.132 3.254 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.561 2.471 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.529 2.844 5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.691 2.259 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.637 2.123 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.739 3.289 4.635 1.00 0.00 H new ATOM 901 N ASN A 57 6.486 0.428 6.826 1.00 0.00 N ATOM 902 CA ASN A 57 7.456 0.102 7.871 1.00 0.00 C ATOM 903 C ASN A 57 7.390 1.055 9.078 1.00 0.00 C ATOM 904 O ASN A 57 7.308 2.279 8.924 1.00 0.00 O ATOM 905 CB ASN A 57 8.854 0.098 7.252 1.00 0.00 C ATOM 906 CG ASN A 57 9.916 -0.388 8.227 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.437 0.374 9.027 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.265 -1.656 8.187 1.00 0.00 N ATOM 0 H ASN A 57 6.822 1.123 6.159 1.00 0.00 H new ATOM 0 HA ASN A 57 7.211 -0.884 8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.856 -0.540 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.104 1.105 6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.976 -2.010 8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.825 -2.285 7.516 1.00 0.00 H new ATOM 915 N ASP A 58 7.484 0.482 10.280 1.00 0.00 N ATOM 916 CA ASP A 58 7.344 1.190 11.564 1.00 0.00 C ATOM 917 C ASP A 58 8.440 2.223 11.903 1.00 0.00 C ATOM 918 O ASP A 58 8.298 3.001 12.852 1.00 0.00 O ATOM 919 CB ASP A 58 7.214 0.186 12.714 1.00 0.00 C ATOM 920 CG ASP A 58 8.547 -0.462 13.132 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.245 0.092 14.013 1.00 0.00 O ATOM 922 OD2 ASP A 58 8.880 -1.539 12.591 1.00 0.00 O ATOM 0 H ASP A 58 7.665 -0.515 10.395 1.00 0.00 H new ATOM 0 HA ASP A 58 6.435 1.779 11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.781 0.692 13.577 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.516 -0.599 12.421 1.00 0.00 H new ATOM 927 N ARG A 59 9.540 2.233 11.145 1.00 0.00 N ATOM 928 CA ARG A 59 10.683 3.120 11.372 1.00 0.00 C ATOM 929 C ARG A 59 10.487 4.512 10.753 1.00 0.00 C ATOM 930 O ARG A 59 11.145 5.462 11.183 1.00 0.00 O ATOM 931 CB ARG A 59 11.940 2.426 10.824 1.00 0.00 C ATOM 932 CG ARG A 59 13.237 3.056 11.338 1.00 0.00 C ATOM 933 CD ARG A 59 14.433 2.156 11.023 1.00 0.00 C ATOM 934 NE ARG A 59 15.627 2.623 11.742 1.00 0.00 N ATOM 935 CZ ARG A 59 16.705 3.214 11.238 1.00 0.00 C ATOM 936 NH1 ARG A 59 16.837 3.473 9.953 1.00 0.00 N ATOM 937 NH2 ARG A 59 17.687 3.563 12.040 1.00 0.00 N ATOM 0 H ARG A 59 9.663 1.615 10.343 1.00 0.00 H new ATOM 0 HA ARG A 59 10.789 3.297 12.442 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.918 1.372 11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.927 2.469 9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.380 4.034 10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.169 3.216 12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.208 1.128 11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.624 2.155 9.950 1.00 0.00 H new ATOM 0 HE ARG A 59 15.628 2.475 12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.094 3.218 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.682 3.929 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.618 3.380 13.041 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.518 4.017 11.661 1.00 0.00 H new ATOM 951 N TYR A 60 9.552 4.670 9.809 1.00 0.00 N ATOM 952 CA TYR A 60 9.454 5.867 8.959 1.00 0.00 C ATOM 953 C TYR A 60 8.053 6.494 8.864 1.00 0.00 C ATOM 954 O TYR A 60 7.870 7.657 9.230 1.00 0.00 O ATOM 955 CB TYR A 60 9.949 5.472 7.552 1.00 0.00 C ATOM 956 CG TYR A 60 11.331 4.836 7.508 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.449 5.512 8.038 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.492 3.542 6.971 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.718 4.899 8.034 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.757 2.926 6.959 1.00 0.00 C ATOM 961 CZ TYR A 60 13.875 3.604 7.493 1.00 0.00 C ATOM 962 OH TYR A 60 15.102 3.009 7.499 1.00 0.00 O ATOM 0 H TYR A 60 8.838 3.969 9.611 1.00 0.00 H new ATOM 0 HA TYR A 60 10.066 6.641 9.422 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.232 4.777 7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.956 6.362 6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.332 6.504 8.449 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.638 3.020 6.566 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.570 5.420 8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.873 1.936 6.542 1.00 0.00 H new ATOM 0 HH TYR A 60 15.037 2.120 7.091 1.00 0.00 H new ATOM 972 N TRP A 61 7.065 5.728 8.394 1.00 0.00 N ATOM 973 CA TRP A 61 5.759 6.253 7.977 1.00 0.00 C ATOM 974 C TRP A 61 4.650 6.010 9.012 1.00 0.00 C ATOM 975 O TRP A 61 3.969 6.953 9.418 1.00 0.00 O ATOM 976 CB TRP A 61 5.432 5.606 6.625 1.00 0.00 C ATOM 977 CG TRP A 61 6.518 5.619 5.590 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.176 4.523 5.148 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.066 6.744 4.832 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.124 4.894 4.214 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.074 6.245 3.952 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.781 8.124 4.758 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.761 7.072 3.047 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.445 8.958 3.838 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.436 8.438 2.987 1.00 0.00 C ATOM 0 H TRP A 61 7.148 4.717 8.291 1.00 0.00 H new ATOM 0 HA TRP A 61 5.812 7.338 7.889 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.146 4.570 6.804 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.560 6.110 6.209 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.989 3.511 5.476 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.779 4.248 3.774 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.040 8.548 5.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.528 6.663 2.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.191 10.006 3.786 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.946 9.086 2.290 1.00 0.00 H new ATOM 996 N CYS A 62 4.508 4.762 9.473 1.00 0.00 N ATOM 997 CA CYS A 62 3.660 4.365 10.606 1.00 0.00 C ATOM 998 C CYS A 62 4.485 4.125 11.883 1.00 0.00 C ATOM 999 O CYS A 62 5.696 3.959 11.817 1.00 0.00 O ATOM 1000 CB CYS A 62 2.859 3.111 10.229 1.00 0.00 C ATOM 1001 SG CYS A 62 3.826 1.774 9.484 1.00 0.00 S ATOM 0 H CYS A 62 4.997 3.972 9.053 1.00 0.00 H new ATOM 0 HA CYS A 62 2.972 5.182 10.823 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.370 2.729 11.125 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.070 3.399 9.534 1.00 0.00 H new ATOM 0 HG CYS A 62 3.044 0.772 9.212 1.00 0.00 H new ATOM 1006 N SER A 63 3.831 4.103 13.047 1.00 0.00 N ATOM 1007 CA SER A 63 4.432 3.858 14.372 1.00 0.00 C ATOM 1008 C SER A 63 4.000 2.512 14.972 1.00 0.00 C ATOM 1009 O SER A 63 2.815 2.169 14.947 1.00 0.00 O ATOM 1010 CB SER A 63 4.002 4.969 15.340 1.00 0.00 C ATOM 1011 OG SER A 63 4.769 4.898 16.532 1.00 0.00 O ATOM 0 H SER A 63 2.825 4.262 13.100 1.00 0.00 H new ATOM 0 HA SER A 63 5.513 3.843 14.234 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.135 5.944 14.870 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.942 4.869 15.573 1.00 0.00 H new ATOM 0 HG SER A 63 4.490 5.611 17.144 1.00 0.00 H new ATOM 1017 N LYS A 64 4.941 1.751 15.542 1.00 0.00 N ATOM 1018 CA LYS A 64 4.692 0.433 16.163 1.00 0.00 C ATOM 1019 C LYS A 64 4.085 0.477 17.580 1.00 0.00 C ATOM 1020 O LYS A 64 3.654 -0.563 18.090 1.00 0.00 O ATOM 1021 CB LYS A 64 5.994 -0.388 16.197 1.00 0.00 C ATOM 1022 CG LYS A 64 7.164 0.376 16.838 1.00 0.00 C ATOM 1023 CD LYS A 64 8.266 -0.583 17.288 1.00 0.00 C ATOM 1024 CE LYS A 64 9.506 0.225 17.675 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.621 -0.650 18.120 1.00 0.00 N ATOM 0 H LYS A 64 5.920 2.035 15.589 1.00 0.00 H new ATOM 0 HA LYS A 64 3.939 -0.037 15.531 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.822 -1.311 16.751 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.265 -0.672 15.180 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.570 1.092 16.123 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.804 0.948 17.693 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.925 -1.177 18.136 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.507 -1.281 16.486 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.831 0.822 16.823 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.251 0.922 18.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.442 -0.064 18.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.320 -1.201 18.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.882 -1.298 17.350 1.00 0.00 H new ATOM 1039 N GLY A 65 4.093 1.642 18.237 1.00 0.00 N ATOM 1040 CA GLY A 65 3.680 1.799 19.639 1.00 0.00 C ATOM 1041 C GLY A 65 2.158 1.780 19.820 1.00 0.00 C ATOM 1042 O GLY A 65 1.418 1.415 18.908 1.00 0.00 O ATOM 0 H GLY A 65 4.391 2.516 17.805 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.121 0.999 20.234 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.075 2.739 20.025 1.00 0.00 H new ATOM 1046 N ALA A 66 1.681 2.176 21.005 1.00 0.00 N ATOM 1047 CA ALA A 66 0.246 2.207 21.338 1.00 0.00 C ATOM 1048 C ALA A 66 -0.510 3.420 20.751 1.00 0.00 C ATOM 1049 O ALA A 66 -1.742 3.444 20.766 1.00 0.00 O ATOM 1050 CB ALA A 66 0.106 2.136 22.863 1.00 0.00 C ATOM 0 H ALA A 66 2.282 2.487 21.768 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.227 1.344 20.870 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.950 2.158 23.133 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.555 1.212 23.227 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.613 2.988 23.315 1.00 0.00 H new ATOM 1056 N SER A 67 0.207 4.376 20.162 1.00 0.00 N ATOM 1057 CA SER A 67 -0.319 5.630 19.596 1.00 0.00 C ATOM 1058 C SER A 67 0.381 5.974 18.262 1.00 0.00 C ATOM 1059 O SER A 67 1.553 5.611 18.084 1.00 0.00 O ATOM 1060 CB SER A 67 -0.105 6.783 20.596 1.00 0.00 C ATOM 1061 OG SER A 67 -0.857 6.592 21.788 1.00 0.00 O ATOM 0 H SER A 67 1.219 4.299 20.059 1.00 0.00 H new ATOM 0 HA SER A 67 -1.384 5.496 19.405 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.954 6.859 20.842 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.393 7.726 20.131 1.00 0.00 H new ATOM 0 HG SER A 67 -0.696 7.340 22.400 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.296 6.674 17.325 1.00 0.00 N ATOM 1068 CA PRO A 68 0.317 7.179 16.096 1.00 0.00 C ATOM 1069 C PRO A 68 1.314 8.308 16.409 1.00 0.00 C ATOM 1070 O PRO A 68 1.212 8.963 17.449 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.853 7.681 15.245 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.878 8.129 16.282 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.689 7.106 17.400 1.00 0.00 C ATOM 0 HA PRO A 68 0.889 6.412 15.574 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.553 8.503 14.595 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.249 6.895 14.602 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.689 9.146 16.626 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.892 8.111 15.883 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.908 7.547 18.372 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.366 6.261 17.273 1.00 0.00 H new ATOM 1081 N GLY A 69 2.277 8.547 15.507 1.00 0.00 N ATOM 1082 CA GLY A 69 3.335 9.548 15.747 1.00 0.00 C ATOM 1083 C GLY A 69 4.578 9.441 14.863 1.00 0.00 C ATOM 1084 O GLY A 69 5.697 9.618 15.344 1.00 0.00 O ATOM 0 H GLY A 69 2.348 8.067 14.610 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.904 10.540 15.614 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.648 9.473 16.789 1.00 0.00 H new ATOM 1088 N LYS A 70 4.379 9.161 13.574 1.00 0.00 N ATOM 1089 CA LYS A 70 5.417 9.071 12.529 1.00 0.00 C ATOM 1090 C LYS A 70 5.039 9.953 11.315 1.00 0.00 C ATOM 1091 O LYS A 70 4.064 10.703 11.394 1.00 0.00 O ATOM 1092 CB LYS A 70 5.634 7.575 12.211 1.00 0.00 C ATOM 1093 CG LYS A 70 6.561 6.897 13.238 1.00 0.00 C ATOM 1094 CD LYS A 70 8.039 7.080 12.877 1.00 0.00 C ATOM 1095 CE LYS A 70 8.937 6.425 13.936 1.00 0.00 C ATOM 1096 NZ LYS A 70 10.376 6.704 13.690 1.00 0.00 N ATOM 0 H LYS A 70 3.445 8.981 13.205 1.00 0.00 H new ATOM 0 HA LYS A 70 6.374 9.471 12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.672 7.064 12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.062 7.474 11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.374 7.314 14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.329 5.833 13.291 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.238 6.639 11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.272 8.142 12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.660 6.791 14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.771 5.348 13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.943 6.317 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.668 6.259 12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.525 7.731 13.630 1.00 0.00 H new ATOM 1110 N ASP A 71 5.785 9.903 10.204 1.00 0.00 N ATOM 1111 CA ASP A 71 5.652 10.863 9.087 1.00 0.00 C ATOM 1112 C ASP A 71 4.243 10.949 8.460 1.00 0.00 C ATOM 1113 O ASP A 71 3.853 12.004 7.957 1.00 0.00 O ATOM 1114 CB ASP A 71 6.699 10.535 8.012 1.00 0.00 C ATOM 1115 CG ASP A 71 6.716 11.591 6.897 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.332 12.666 7.094 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.098 11.356 5.833 1.00 0.00 O ATOM 0 H ASP A 71 6.502 9.195 10.048 1.00 0.00 H new ATOM 0 HA ASP A 71 5.824 11.850 9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.686 10.474 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.486 9.556 7.583 1.00 0.00 H new ATOM 1122 N CYS A 72 3.458 9.868 8.542 1.00 0.00 N ATOM 1123 CA CYS A 72 2.084 9.794 8.027 1.00 0.00 C ATOM 1124 C CYS A 72 1.003 9.830 9.124 1.00 0.00 C ATOM 1125 O CYS A 72 -0.175 9.636 8.826 1.00 0.00 O ATOM 1126 CB CYS A 72 1.981 8.564 7.126 1.00 0.00 C ATOM 1127 SG CYS A 72 3.179 8.571 5.763 1.00 0.00 S ATOM 0 H CYS A 72 3.767 9.000 8.979 1.00 0.00 H new ATOM 0 HA CYS A 72 1.880 10.693 7.445 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.131 7.668 7.728 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.973 8.507 6.715 1.00 0.00 H new ATOM 0 HG CYS A 72 4.249 9.213 6.129 1.00 0.00 H new ATOM 1132 N ASN A 73 1.386 10.071 10.387 1.00 0.00 N ATOM 1133 CA ASN A 73 0.491 10.294 11.533 1.00 0.00 C ATOM 1134 C ASN A 73 -0.499 9.127 11.748 1.00 0.00 C ATOM 1135 O ASN A 73 -1.711 9.315 11.877 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.174 11.680 11.415 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.896 12.109 12.694 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.551 11.711 13.801 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.916 12.943 12.578 1.00 0.00 N ATOM 0 H ASN A 73 2.371 10.118 10.649 1.00 0.00 H new ATOM 0 HA ASN A 73 1.083 10.304 12.448 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.586 12.421 11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.886 11.666 10.590 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.416 13.256 13.410 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.202 13.274 11.656 1.00 0.00 H new ATOM 1146 N VAL A 74 0.034 7.901 11.742 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.726 6.645 11.740 1.00 0.00 C ATOM 1148 C VAL A 74 0.069 5.530 12.432 1.00 0.00 C ATOM 1149 O VAL A 74 1.296 5.566 12.504 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.156 6.285 10.295 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.038 5.911 9.402 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.206 5.168 10.278 1.00 0.00 C ATOM 0 H VAL A 74 1.043 7.750 11.738 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.641 6.770 12.319 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.606 7.187 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.318 5.668 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.729 6.752 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.552 5.047 9.824 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.482 4.944 9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.794 4.274 10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.090 5.491 10.828 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.650 4.553 12.977 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.133 3.438 13.775 1.00 0.00 C ATOM 1164 C LYS A 75 -0.152 2.123 12.972 1.00 0.00 C ATOM 1165 O LYS A 75 -1.140 1.817 12.309 1.00 0.00 O ATOM 1166 CB LYS A 75 -1.020 3.386 15.029 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.412 2.614 16.204 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.311 2.745 17.443 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.557 1.854 17.417 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.516 2.227 18.492 1.00 0.00 N ATOM 0 H LYS A 75 -1.664 4.513 12.870 1.00 0.00 H new ATOM 0 HA LYS A 75 0.912 3.578 14.052 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.232 4.405 15.351 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.974 2.930 14.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.297 1.563 15.938 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.584 2.998 16.425 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.725 2.503 18.330 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.624 3.784 17.541 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.046 1.938 16.446 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.263 0.811 17.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.023 1.378 18.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.997 2.645 19.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.199 2.919 18.123 1.00 0.00 H new ATOM 1184 N CYS A 76 0.916 1.323 13.038 1.00 0.00 N ATOM 1185 CA CYS A 76 1.063 0.037 12.327 1.00 0.00 C ATOM 1186 C CYS A 76 -0.118 -0.930 12.535 1.00 0.00 C ATOM 1187 O CYS A 76 -0.529 -1.612 11.603 1.00 0.00 O ATOM 1188 CB CYS A 76 2.352 -0.636 12.811 1.00 0.00 C ATOM 1189 SG CYS A 76 3.853 0.305 12.493 1.00 0.00 S ATOM 0 H CYS A 76 1.732 1.555 13.605 1.00 0.00 H new ATOM 0 HA CYS A 76 1.092 0.261 11.261 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.272 -0.816 13.883 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.441 -1.610 12.330 1.00 0.00 H new ATOM 0 HG CYS A 76 3.932 0.580 11.225 1.00 0.00 H new ATOM 1194 N SER A 77 -0.702 -0.958 13.735 1.00 0.00 N ATOM 1195 CA SER A 77 -1.852 -1.822 14.056 1.00 0.00 C ATOM 1196 C SER A 77 -3.166 -1.351 13.394 1.00 0.00 C ATOM 1197 O SER A 77 -3.994 -2.171 12.995 1.00 0.00 O ATOM 1198 CB SER A 77 -2.005 -1.913 15.581 1.00 0.00 C ATOM 1199 OG SER A 77 -2.888 -2.961 15.957 1.00 0.00 O ATOM 0 H SER A 77 -0.393 -0.382 14.518 1.00 0.00 H new ATOM 0 HA SER A 77 -1.650 -2.811 13.644 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.028 -2.079 16.036 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.380 -0.965 15.967 1.00 0.00 H new ATOM 0 HG SER A 77 -2.962 -2.992 16.934 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.333 -0.040 13.163 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.448 0.522 12.391 1.00 0.00 C ATOM 1207 C ASP A 78 -4.333 0.205 10.892 1.00 0.00 C ATOM 1208 O ASP A 78 -5.323 0.313 10.175 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.539 2.043 12.620 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.477 2.398 13.779 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -5.032 2.376 14.950 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -6.653 2.727 13.493 1.00 0.00 O ATOM 0 H ASP A 78 -2.688 0.668 13.513 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.365 0.052 12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.544 2.438 12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.891 2.526 11.708 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.168 -0.247 10.411 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.003 -0.720 9.034 1.00 0.00 C ATOM 1219 C LEU A 79 -3.501 -2.164 8.845 1.00 0.00 C ATOM 1220 O LEU A 79 -3.709 -2.589 7.709 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.537 -0.580 8.582 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.827 0.748 8.908 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.539 0.744 8.216 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.615 1.978 8.452 1.00 0.00 C ATOM 0 H LEU A 79 -2.314 -0.294 10.967 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.625 -0.087 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.965 -1.390 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.500 -0.728 7.503 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.733 0.816 9.992 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.060 1.676 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.130 -0.096 8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.401 0.648 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.062 2.881 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.760 1.938 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.586 1.993 8.948 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.726 -2.902 9.944 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.189 -4.297 9.956 1.00 0.00 C ATOM 1238 C LEU A 80 -5.721 -4.424 10.100 1.00 0.00 C ATOM 1239 O LEU A 80 -6.236 -5.532 10.287 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.462 -5.083 11.069 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.922 -5.011 11.061 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.386 -5.843 12.234 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.300 -5.498 9.744 1.00 0.00 C ATOM 0 H LEU A 80 -3.585 -2.529 10.883 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.940 -4.728 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.817 -4.718 12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.756 -6.130 10.997 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.639 -3.963 11.163 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.297 -5.802 12.242 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.771 -5.441 13.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.709 -6.878 12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.214 -5.421 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.581 -6.537 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.662 -4.882 8.921 1.00 0.00 H new ATOM 1255 N THR A 81 -6.450 -3.301 10.056 1.00 0.00 N ATOM 1256 CA THR A 81 -7.912 -3.224 10.220 1.00 0.00 C ATOM 1257 C THR A 81 -8.655 -3.600 8.932 1.00 0.00 C ATOM 1258 O THR A 81 -8.050 -3.972 7.929 1.00 0.00 O ATOM 1259 CB THR A 81 -8.280 -1.854 10.810 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.593 -1.916 11.325 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.183 -0.702 9.811 1.00 0.00 C ATOM 0 H THR A 81 -6.025 -2.387 9.900 1.00 0.00 H new ATOM 0 HA THR A 81 -8.251 -3.974 10.935 1.00 0.00 H new ATOM 0 HB THR A 81 -7.551 -1.643 11.592 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.837 -1.046 11.706 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.458 0.231 10.303 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.161 -0.628 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.860 -0.886 8.977 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.983 -3.554 8.974 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.888 -4.065 7.928 1.00 0.00 C ATOM 1271 C ASP A 82 -11.280 -3.008 6.871 1.00 0.00 C ATOM 1272 O ASP A 82 -12.133 -3.252 6.017 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.119 -4.707 8.592 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.757 -5.806 9.607 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -10.917 -6.682 9.287 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.324 -5.798 10.725 1.00 0.00 O ATOM 0 H ASP A 82 -10.485 -3.147 9.763 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.345 -4.823 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.697 -3.932 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.760 -5.132 7.820 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.628 -1.843 6.907 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.667 -0.802 5.878 1.00 0.00 C ATOM 1283 C ASP A 83 -9.226 -0.359 5.596 1.00 0.00 C ATOM 1284 O ASP A 83 -8.471 0.001 6.502 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.553 0.383 6.305 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.822 1.395 5.168 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.956 1.585 4.280 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.914 2.013 5.185 1.00 0.00 O ATOM 0 H ASP A 83 -10.030 -1.588 7.693 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.114 -1.200 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.505 0.000 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.076 0.902 7.137 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.842 -0.401 4.322 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.479 -0.126 3.856 1.00 0.00 C ATOM 1295 C ILE A 84 -7.063 1.344 4.035 1.00 0.00 C ATOM 1296 O ILE A 84 -5.875 1.638 3.908 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.316 -0.601 2.387 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -8.010 0.361 1.404 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.871 -2.025 2.198 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.745 0.072 -0.071 1.00 0.00 C ATOM 0 H ILE A 84 -9.484 -0.633 3.564 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.796 -0.695 4.487 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.248 -0.608 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.085 0.324 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.686 1.378 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.743 -2.331 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.333 -2.715 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.931 -2.039 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.275 0.800 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.675 0.140 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.096 -0.931 -0.314 1.00 0.00 H new ATOM 1312 N THR A 85 -8.008 2.262 4.300 1.00 0.00 N ATOM 1313 CA THR A 85 -7.813 3.727 4.286 1.00 0.00 C ATOM 1314 C THR A 85 -6.653 4.213 5.148 1.00 0.00 C ATOM 1315 O THR A 85 -5.894 5.078 4.717 1.00 0.00 O ATOM 1316 CB THR A 85 -9.127 4.445 4.617 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.970 5.827 4.387 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.603 4.235 6.054 1.00 0.00 C ATOM 0 H THR A 85 -8.964 1.998 4.539 1.00 0.00 H new ATOM 0 HA THR A 85 -7.520 3.990 3.270 1.00 0.00 H new ATOM 0 HB THR A 85 -9.887 4.011 3.967 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.808 6.291 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.537 4.774 6.210 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.763 3.172 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.848 4.609 6.746 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.423 3.604 6.315 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.295 3.961 7.188 1.00 0.00 C ATOM 1328 C LYS A 86 -3.931 3.726 6.504 1.00 0.00 C ATOM 1329 O LYS A 86 -2.988 4.491 6.716 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.403 3.176 8.510 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.725 3.347 9.286 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.044 4.807 9.643 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.297 4.914 10.526 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.013 4.680 11.967 1.00 0.00 N ATOM 0 H LYS A 86 -7.008 2.854 6.682 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.350 5.029 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.265 2.117 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.581 3.479 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.542 2.941 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.677 2.760 10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.194 5.249 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.193 5.381 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.738 5.904 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.038 4.191 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.908 4.563 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.437 3.820 12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.494 5.493 12.355 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.840 2.713 5.636 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.665 2.418 4.817 1.00 0.00 C ATOM 1350 C ALA A 87 -2.689 3.190 3.489 1.00 0.00 C ATOM 1351 O ALA A 87 -1.661 3.710 3.063 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.605 0.897 4.607 1.00 0.00 C ATOM 0 H ALA A 87 -4.606 2.058 5.481 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.761 2.749 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.736 0.648 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.526 0.399 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.511 0.564 4.101 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.860 3.325 2.864 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.031 3.952 1.556 1.00 0.00 C ATOM 1360 C ALA A 88 -3.773 5.468 1.567 1.00 0.00 C ATOM 1361 O ALA A 88 -3.111 5.983 0.672 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.435 3.596 1.054 1.00 0.00 C ATOM 0 H ALA A 88 -4.737 2.992 3.265 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.278 3.565 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.598 4.049 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.528 2.513 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.179 3.972 1.756 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.206 6.191 2.603 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.887 7.619 2.768 1.00 0.00 C ATOM 1370 C LYS A 89 -2.401 7.852 3.098 1.00 0.00 C ATOM 1371 O LYS A 89 -1.799 8.824 2.638 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.790 8.213 3.861 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.295 8.210 3.535 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.660 9.067 2.314 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.186 9.153 2.186 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.590 9.973 1.015 1.00 0.00 N ATOM 0 H LYS A 89 -4.785 5.809 3.350 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.075 8.123 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.632 7.655 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.477 9.240 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.618 7.184 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.847 8.573 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.236 10.066 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.233 8.632 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.601 8.150 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.604 9.585 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.592 10.237 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.007 10.833 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.454 9.423 0.143 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.783 6.923 3.832 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.340 6.908 4.102 1.00 0.00 C ATOM 1392 C CYS A 90 0.469 6.602 2.828 1.00 0.00 C ATOM 1393 O CYS A 90 1.498 7.232 2.582 1.00 0.00 O ATOM 1394 CB CYS A 90 -0.096 5.918 5.249 1.00 0.00 C ATOM 1395 SG CYS A 90 1.625 5.593 5.689 1.00 0.00 S ATOM 0 H CYS A 90 -2.280 6.144 4.264 1.00 0.00 H new ATOM 0 HA CYS A 90 0.012 7.891 4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.609 6.291 6.135 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.564 4.970 4.985 1.00 0.00 H new ATOM 0 HG CYS A 90 2.346 6.643 5.427 1.00 0.00 H new ATOM 1400 N ALA A 91 -0.051 5.746 1.944 1.00 0.00 N ATOM 1401 CA ALA A 91 0.505 5.501 0.616 1.00 0.00 C ATOM 1402 C ALA A 91 0.521 6.769 -0.256 1.00 0.00 C ATOM 1403 O ALA A 91 1.539 7.034 -0.891 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.260 4.344 -0.032 1.00 0.00 C ATOM 0 H ALA A 91 -0.887 5.194 2.138 1.00 0.00 H new ATOM 0 HA ALA A 91 1.553 5.217 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.146 4.151 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.156 3.450 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.315 4.607 -0.116 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.520 7.621 -0.222 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.465 8.941 -0.880 1.00 0.00 C ATOM 1412 C LYS A 92 0.645 9.843 -0.304 1.00 0.00 C ATOM 1413 O LYS A 92 1.374 10.478 -1.065 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.813 9.686 -0.819 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.080 8.879 -1.119 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.090 8.017 -2.389 1.00 0.00 C ATOM 1417 CE LYS A 92 -3.407 8.766 -3.690 1.00 0.00 C ATOM 1418 NZ LYS A 92 -2.293 9.616 -4.189 1.00 0.00 N ATOM 0 H LYS A 92 -1.402 7.422 0.249 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.232 8.730 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.915 10.115 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.770 10.518 -1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.271 8.225 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.916 9.576 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.115 7.541 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.822 7.220 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.669 8.040 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.285 9.393 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.450 9.841 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.256 10.498 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.393 9.105 -4.086 1.00 0.00 H new ATOM 1432 N LYS A 93 0.818 9.871 1.024 1.00 0.00 N ATOM 1433 CA LYS A 93 1.867 10.654 1.703 1.00 0.00 C ATOM 1434 C LYS A 93 3.294 10.158 1.381 1.00 0.00 C ATOM 1435 O LYS A 93 4.237 10.948 1.402 1.00 0.00 O ATOM 1436 CB LYS A 93 1.561 10.674 3.214 1.00 0.00 C ATOM 1437 CG LYS A 93 2.517 11.510 4.087 1.00 0.00 C ATOM 1438 CD LYS A 93 2.568 12.998 3.707 1.00 0.00 C ATOM 1439 CE LYS A 93 3.327 13.830 4.753 1.00 0.00 C ATOM 1440 NZ LYS A 93 4.786 13.552 4.762 1.00 0.00 N ATOM 0 H LYS A 93 0.227 9.345 1.668 1.00 0.00 H new ATOM 0 HA LYS A 93 1.850 11.676 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.548 11.052 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.571 9.647 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.212 11.422 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.521 11.092 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.050 13.108 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.553 13.382 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.165 14.890 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.917 13.624 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.281 14.310 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.963 12.642 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.137 13.509 3.784 1.00 0.00 H new ATOM 1454 N ILE A 94 3.453 8.885 1.009 1.00 0.00 N ATOM 1455 CA ILE A 94 4.705 8.340 0.447 1.00 0.00 C ATOM 1456 C ILE A 94 4.858 8.754 -1.026 1.00 0.00 C ATOM 1457 O ILE A 94 5.910 9.250 -1.424 1.00 0.00 O ATOM 1458 CB ILE A 94 4.745 6.804 0.623 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.784 6.417 2.118 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.984 6.245 -0.097 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.467 4.942 2.397 1.00 0.00 C ATOM 0 H ILE A 94 2.710 8.190 1.088 1.00 0.00 H new ATOM 0 HA ILE A 94 5.553 8.756 0.991 1.00 0.00 H new ATOM 0 HB ILE A 94 3.840 6.378 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.773 6.645 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.072 7.039 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.017 5.162 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.930 6.490 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.884 6.686 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.516 4.756 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.466 4.710 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.194 4.311 1.886 1.00 0.00 H new ATOM 1473 N TYR A 95 3.798 8.617 -1.825 1.00 0.00 N ATOM 1474 CA TYR A 95 3.753 8.968 -3.253 1.00 0.00 C ATOM 1475 C TYR A 95 4.119 10.439 -3.548 1.00 0.00 C ATOM 1476 O TYR A 95 4.668 10.736 -4.609 1.00 0.00 O ATOM 1477 CB TYR A 95 2.385 8.531 -3.816 1.00 0.00 C ATOM 1478 CG TYR A 95 1.819 9.285 -5.007 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.262 10.568 -4.829 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.766 8.674 -6.275 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.700 11.258 -5.920 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.206 9.357 -7.371 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.675 10.655 -7.199 1.00 0.00 C ATOM 1484 OH TYR A 95 0.131 11.310 -8.262 1.00 0.00 O ATOM 0 H TYR A 95 2.911 8.244 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 95 4.537 8.423 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.461 7.480 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.657 8.595 -3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.266 11.024 -3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.157 7.676 -6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.288 12.247 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.182 8.889 -8.344 1.00 0.00 H new ATOM 0 HH TYR A 95 0.200 10.749 -9.062 1.00 0.00 H new ATOM 1494 N LYS A 96 3.919 11.339 -2.578 1.00 0.00 N ATOM 1495 CA LYS A 96 4.406 12.730 -2.590 1.00 0.00 C ATOM 1496 C LYS A 96 5.931 12.871 -2.794 1.00 0.00 C ATOM 1497 O LYS A 96 6.380 13.896 -3.310 1.00 0.00 O ATOM 1498 CB LYS A 96 4.017 13.376 -1.246 1.00 0.00 C ATOM 1499 CG LYS A 96 2.535 13.776 -1.117 1.00 0.00 C ATOM 1500 CD LYS A 96 2.069 14.906 -2.051 1.00 0.00 C ATOM 1501 CE LYS A 96 2.839 16.216 -1.819 1.00 0.00 C ATOM 1502 NZ LYS A 96 2.311 17.324 -2.658 1.00 0.00 N ATOM 0 H LYS A 96 3.396 11.114 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 96 3.944 13.225 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.261 12.681 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.631 14.264 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.921 12.895 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.347 14.079 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.196 14.592 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.004 15.082 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.774 16.494 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.894 16.062 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.856 18.190 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.396 17.070 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.311 17.489 -2.426 1.00 0.00 H new ATOM 1516 N ARG A 97 6.717 11.860 -2.396 1.00 0.00 N ATOM 1517 CA ARG A 97 8.183 11.805 -2.543 1.00 0.00 C ATOM 1518 C ARG A 97 8.633 10.674 -3.480 1.00 0.00 C ATOM 1519 O ARG A 97 9.588 10.850 -4.236 1.00 0.00 O ATOM 1520 CB ARG A 97 8.840 11.634 -1.161 1.00 0.00 C ATOM 1521 CG ARG A 97 8.541 12.760 -0.154 1.00 0.00 C ATOM 1522 CD ARG A 97 9.015 14.139 -0.633 1.00 0.00 C ATOM 1523 NE ARG A 97 8.802 15.166 0.402 1.00 0.00 N ATOM 1524 CZ ARG A 97 9.013 16.471 0.269 1.00 0.00 C ATOM 1525 NH1 ARG A 97 9.447 16.998 -0.857 1.00 0.00 N ATOM 1526 NH2 ARG A 97 8.787 17.276 1.285 1.00 0.00 N ATOM 0 H ARG A 97 6.338 11.027 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 97 8.502 12.745 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.510 10.687 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.919 11.564 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.468 12.796 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.022 12.527 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.073 14.093 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.478 14.416 -1.540 1.00 0.00 H new ATOM 0 HE ARG A 97 8.460 14.844 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.632 16.400 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.598 18.005 -0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.451 16.898 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.948 18.278 1.187 1.00 0.00 H new ATOM 1540 N HIS A 98 7.926 9.540 -3.470 1.00 0.00 N ATOM 1541 CA HIS A 98 8.257 8.321 -4.217 1.00 0.00 C ATOM 1542 C HIS A 98 6.975 7.626 -4.726 1.00 0.00 C ATOM 1543 O HIS A 98 6.420 6.757 -4.049 1.00 0.00 O ATOM 1544 CB HIS A 98 9.082 7.393 -3.304 1.00 0.00 C ATOM 1545 CG HIS A 98 10.397 7.965 -2.849 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.538 8.103 -3.642 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.668 8.429 -1.594 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.468 8.654 -2.842 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.975 8.860 -1.608 1.00 0.00 N ATOM 0 H HIS A 98 7.073 9.441 -2.919 1.00 0.00 H new ATOM 0 HA HIS A 98 8.850 8.573 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.486 7.146 -2.426 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.271 6.459 -3.834 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.989 8.453 -0.754 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.474 8.898 -3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.481 9.265 -0.820 1.00 0.00 H new ATOM 1557 N ARG A 99 6.499 8.007 -5.922 1.00 0.00 N ATOM 1558 CA ARG A 99 5.190 7.593 -6.467 1.00 0.00 C ATOM 1559 C ARG A 99 4.963 6.073 -6.514 1.00 0.00 C ATOM 1560 O ARG A 99 3.875 5.612 -6.175 1.00 0.00 O ATOM 1561 CB ARG A 99 4.921 8.258 -7.806 1.00 0.00 C ATOM 1562 CG ARG A 99 5.915 7.924 -8.918 1.00 0.00 C ATOM 1563 CD ARG A 99 5.438 8.728 -10.116 1.00 0.00 C ATOM 1564 NE ARG A 99 6.268 8.484 -11.309 1.00 0.00 N ATOM 1565 CZ ARG A 99 6.058 8.974 -12.526 1.00 0.00 C ATOM 1566 NH1 ARG A 99 5.040 9.766 -12.795 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.882 8.667 -13.504 1.00 0.00 N ATOM 0 H ARG A 99 7.018 8.621 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 99 4.450 7.950 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.922 7.975 -8.138 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.915 9.338 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.931 8.199 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.922 6.856 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.402 8.471 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.458 9.790 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 99 7.082 7.881 -11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.383 10.021 -12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.909 10.124 -13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.678 8.055 -13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.725 9.041 -14.440 1.00 0.00 H new ATOM 1581 N PHE A 100 6.012 5.313 -6.850 1.00 0.00 N ATOM 1582 CA PHE A 100 6.042 3.845 -6.812 1.00 0.00 C ATOM 1583 C PHE A 100 7.399 3.272 -6.339 1.00 0.00 C ATOM 1584 O PHE A 100 7.500 2.079 -6.065 1.00 0.00 O ATOM 1585 CB PHE A 100 5.702 3.289 -8.201 1.00 0.00 C ATOM 1586 CG PHE A 100 4.368 3.705 -8.791 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.173 3.288 -8.177 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.314 4.483 -9.964 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.933 3.658 -8.720 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.071 4.855 -10.507 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.881 4.444 -9.884 1.00 0.00 C ATOM 0 H PHE A 100 6.894 5.716 -7.167 1.00 0.00 H new ATOM 0 HA PHE A 100 5.298 3.533 -6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.489 3.592 -8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.726 2.201 -8.148 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.210 2.681 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.228 4.794 -10.447 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.018 3.339 -8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.031 5.457 -11.403 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.926 4.732 -10.299 1.00 0.00 H new ATOM 1601 N ASP A 101 8.443 4.106 -6.222 1.00 0.00 N ATOM 1602 CA ASP A 101 9.829 3.679 -5.960 1.00 0.00 C ATOM 1603 C ASP A 101 10.099 3.268 -4.497 1.00 0.00 C ATOM 1604 O ASP A 101 11.115 2.633 -4.209 1.00 0.00 O ATOM 1605 CB ASP A 101 10.773 4.807 -6.412 1.00 0.00 C ATOM 1606 CG ASP A 101 12.259 4.417 -6.340 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.640 3.393 -6.956 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.044 5.137 -5.681 1.00 0.00 O ATOM 0 H ASP A 101 8.347 5.118 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 101 10.012 2.770 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.527 5.090 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.604 5.685 -5.789 1.00 0.00 H new ATOM 1613 N ALA A 102 9.175 3.572 -3.577 1.00 0.00 N ATOM 1614 CA ALA A 102 9.229 3.131 -2.179 1.00 0.00 C ATOM 1615 C ALA A 102 8.894 1.633 -1.988 1.00 0.00 C ATOM 1616 O ALA A 102 9.023 1.112 -0.878 1.00 0.00 O ATOM 1617 CB ALA A 102 8.298 4.029 -1.357 1.00 0.00 C ATOM 0 H ALA A 102 8.355 4.141 -3.788 1.00 0.00 H new ATOM 0 HA ALA A 102 10.257 3.229 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.322 3.719 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.628 5.065 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.280 3.943 -1.737 1.00 0.00 H new ATOM 1623 N TRP A 103 8.496 0.942 -3.062 1.00 0.00 N ATOM 1624 CA TRP A 103 8.089 -0.466 -3.070 1.00 0.00 C ATOM 1625 C TRP A 103 8.881 -1.280 -4.096 1.00 0.00 C ATOM 1626 O TRP A 103 9.234 -0.793 -5.172 1.00 0.00 O ATOM 1627 CB TRP A 103 6.583 -0.536 -3.340 1.00 0.00 C ATOM 1628 CG TRP A 103 5.734 0.139 -2.308 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.354 -0.417 -1.140 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.155 1.485 -2.312 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.569 0.471 -0.437 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.390 1.654 -1.119 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.191 2.578 -3.203 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.666 2.825 -0.844 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.478 3.762 -2.938 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.703 3.882 -1.769 1.00 0.00 C ATOM 0 H TRP A 103 8.447 1.367 -3.988 1.00 0.00 H new ATOM 0 HA TRP A 103 8.306 -0.909 -2.098 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.380 -0.085 -4.311 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.287 -1.583 -3.407 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.624 -1.408 -0.806 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.168 0.275 0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.778 2.505 -4.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.089 2.912 0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.526 4.584 -3.636 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.138 4.784 -1.584 1.00 0.00 H new ATOM 1647 N TYR A 104 9.181 -2.531 -3.748 1.00 0.00 N ATOM 1648 CA TYR A 104 10.107 -3.375 -4.502 1.00 0.00 C ATOM 1649 C TYR A 104 9.436 -4.143 -5.648 1.00 0.00 C ATOM 1650 O TYR A 104 10.013 -4.242 -6.732 1.00 0.00 O ATOM 1651 CB TYR A 104 10.812 -4.321 -3.522 1.00 0.00 C ATOM 1652 CG TYR A 104 12.000 -5.033 -4.135 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.135 -4.286 -4.498 1.00 0.00 C ATOM 1654 CD2 TYR A 104 11.970 -6.422 -4.353 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.241 -4.923 -5.091 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.079 -7.069 -4.932 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.218 -6.319 -5.310 1.00 0.00 C ATOM 1658 OH TYR A 104 15.291 -6.935 -5.879 1.00 0.00 O ATOM 0 H TYR A 104 8.785 -2.991 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 104 10.837 -2.729 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.145 -3.753 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.097 -5.062 -3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.158 -3.221 -4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.096 -6.993 -4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.107 -4.345 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.060 -8.138 -5.088 1.00 0.00 H new ATOM 0 HH TYR A 104 15.113 -7.895 -5.958 1.00 0.00 H new ATOM 1668 N GLY A 105 8.200 -4.620 -5.460 1.00 0.00 N ATOM 1669 CA GLY A 105 7.456 -5.381 -6.475 1.00 0.00 C ATOM 1670 C GLY A 105 7.185 -4.587 -7.745 1.00 0.00 C ATOM 1671 O GLY A 105 7.234 -5.144 -8.844 1.00 0.00 O ATOM 0 H GLY A 105 7.682 -4.488 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.018 -6.279 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.507 -5.708 -6.050 1.00 0.00 H new ATOM 1675 N TRP A 106 6.966 -3.276 -7.614 1.00 0.00 N ATOM 1676 CA TRP A 106 6.706 -2.404 -8.756 1.00 0.00 C ATOM 1677 C TRP A 106 7.876 -2.355 -9.754 1.00 0.00 C ATOM 1678 O TRP A 106 7.666 -2.418 -10.966 1.00 0.00 O ATOM 1679 CB TRP A 106 6.314 -1.008 -8.278 1.00 0.00 C ATOM 1680 CG TRP A 106 5.994 -0.098 -9.420 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.824 -0.050 -10.093 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.884 0.842 -10.094 1.00 0.00 C ATOM 1683 NE1 TRP A 106 4.928 0.849 -11.137 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.174 1.439 -11.178 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.222 1.243 -9.895 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.767 2.388 -12.025 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.827 2.192 -10.738 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.102 2.766 -11.801 1.00 0.00 C ATOM 0 H TRP A 106 6.964 -2.793 -6.715 1.00 0.00 H new ATOM 0 HA TRP A 106 5.868 -2.833 -9.305 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.450 -1.080 -7.618 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.129 -0.583 -7.692 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.943 -0.626 -9.852 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.176 1.051 -11.796 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.790 0.814 -9.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.205 2.822 -12.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.853 2.483 -10.570 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.572 3.496 -12.443 1.00 0.00 H new ATOM 1699 N LYS A 107 9.113 -2.298 -9.253 1.00 0.00 N ATOM 1700 CA LYS A 107 10.339 -2.232 -10.066 1.00 0.00 C ATOM 1701 C LYS A 107 11.002 -3.602 -10.325 1.00 0.00 C ATOM 1702 O LYS A 107 11.770 -3.725 -11.281 1.00 0.00 O ATOM 1703 CB LYS A 107 11.307 -1.180 -9.487 1.00 0.00 C ATOM 1704 CG LYS A 107 11.491 -1.223 -7.961 1.00 0.00 C ATOM 1705 CD LYS A 107 12.486 -0.149 -7.509 1.00 0.00 C ATOM 1706 CE LYS A 107 12.490 -0.034 -5.980 1.00 0.00 C ATOM 1707 NZ LYS A 107 13.374 1.070 -5.529 1.00 0.00 N ATOM 0 H LYS A 107 9.298 -2.296 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 107 10.044 -1.904 -11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.282 -1.310 -9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.948 -0.189 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.531 -1.068 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.848 -2.208 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.486 -0.398 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.221 0.811 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.475 0.140 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.825 -0.974 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.206 1.259 -4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.368 0.798 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.168 1.927 -6.081 1.00 0.00 H new ATOM 1721 N ASN A 108 10.668 -4.638 -9.547 1.00 0.00 N ATOM 1722 CA ASN A 108 11.200 -5.998 -9.712 1.00 0.00 C ATOM 1723 C ASN A 108 10.302 -6.922 -10.571 1.00 0.00 C ATOM 1724 O ASN A 108 10.800 -7.896 -11.137 1.00 0.00 O ATOM 1725 CB ASN A 108 11.462 -6.595 -8.319 1.00 0.00 C ATOM 1726 CG ASN A 108 12.290 -7.880 -8.363 1.00 0.00 C ATOM 1727 OD1 ASN A 108 13.282 -7.987 -9.075 1.00 0.00 O ATOM 1728 ND2 ASN A 108 11.921 -8.885 -7.589 1.00 0.00 N ATOM 0 H ASN A 108 10.010 -4.555 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 108 12.132 -5.926 -10.272 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.979 -5.857 -7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.508 -6.801 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 108 12.462 -9.750 -7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 108 11.096 -8.796 -6.996 1.00 0.00 H new ATOM 1735 N HIS A 109 9.005 -6.610 -10.719 1.00 0.00 N ATOM 1736 CA HIS A 109 8.036 -7.427 -11.477 1.00 0.00 C ATOM 1737 C HIS A 109 7.049 -6.619 -12.346 1.00 0.00 C ATOM 1738 O HIS A 109 6.841 -6.961 -13.512 1.00 0.00 O ATOM 1739 CB HIS A 109 7.264 -8.331 -10.500 1.00 0.00 C ATOM 1740 CG HIS A 109 8.093 -9.448 -9.928 1.00 0.00 C ATOM 1741 ND1 HIS A 109 8.421 -10.630 -10.598 1.00 0.00 N ATOM 1742 CD2 HIS A 109 8.626 -9.484 -8.673 1.00 0.00 C ATOM 1743 CE1 HIS A 109 9.147 -11.349 -9.726 1.00 0.00 C ATOM 1744 NE2 HIS A 109 9.285 -10.690 -8.561 1.00 0.00 N ATOM 0 H HIS A 109 8.591 -5.772 -10.311 1.00 0.00 H new ATOM 0 HA HIS A 109 8.621 -8.017 -12.183 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.878 -7.722 -9.683 1.00 0.00 H new ATOM 0 HB3 HIS A 109 6.403 -8.756 -11.015 1.00 0.00 H new ATOM 0 HD2 HIS A 109 8.547 -8.718 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.564 -12.324 -9.932 1.00 0.00 H new ATOM 0 HE2 HIS A 109 9.789 -11.024 -7.739 1.00 0.00 H new ATOM 1752 N CYS A 110 6.467 -5.525 -11.833 1.00 0.00 N ATOM 1753 CA CYS A 110 5.389 -4.790 -12.531 1.00 0.00 C ATOM 1754 C CYS A 110 5.842 -4.007 -13.783 1.00 0.00 C ATOM 1755 O CYS A 110 5.000 -3.502 -14.527 1.00 0.00 O ATOM 1756 CB CYS A 110 4.652 -3.876 -11.544 1.00 0.00 C ATOM 1757 SG CYS A 110 4.131 -4.671 -9.998 1.00 0.00 S ATOM 0 H CYS A 110 6.724 -5.124 -10.931 1.00 0.00 H new ATOM 0 HA CYS A 110 4.709 -5.551 -12.914 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.299 -3.033 -11.301 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.771 -3.468 -12.039 1.00 0.00 H new ATOM 0 HG CYS A 110 2.993 -5.271 -10.181 1.00 0.00 H new ATOM 1762 N GLN A 111 7.151 -3.931 -14.054 1.00 0.00 N ATOM 1763 CA GLN A 111 7.704 -3.345 -15.284 1.00 0.00 C ATOM 1764 C GLN A 111 7.485 -4.233 -16.524 1.00 0.00 C ATOM 1765 O GLN A 111 7.496 -3.719 -17.644 1.00 0.00 O ATOM 1766 CB GLN A 111 9.215 -3.089 -15.117 1.00 0.00 C ATOM 1767 CG GLN A 111 9.598 -2.194 -13.927 1.00 0.00 C ATOM 1768 CD GLN A 111 8.966 -0.801 -13.985 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.234 0.001 -14.870 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.102 -0.461 -13.052 1.00 0.00 N ATOM 0 H GLN A 111 7.867 -4.280 -13.417 1.00 0.00 H new ATOM 0 HA GLN A 111 7.169 -2.409 -15.446 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.720 -4.049 -15.007 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.593 -2.632 -16.032 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.295 -2.684 -13.001 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.683 -2.092 -13.893 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.869 -1.119 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.665 0.461 -13.073 1.00 0.00 H new ATOM 1779 N GLY A 112 7.284 -5.549 -16.348 1.00 0.00 N ATOM 1780 CA GLY A 112 7.152 -6.508 -17.456 1.00 0.00 C ATOM 1781 C GLY A 112 5.755 -6.531 -18.082 1.00 0.00 C ATOM 1782 O GLY A 112 5.629 -6.700 -19.293 1.00 0.00 O ATOM 0 H GLY A 112 7.208 -5.980 -15.427 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.883 -6.263 -18.227 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.395 -7.506 -17.092 1.00 0.00 H new ATOM 1786 N SER A 113 4.716 -6.344 -17.267 1.00 0.00 N ATOM 1787 CA SER A 113 3.289 -6.317 -17.630 1.00 0.00 C ATOM 1788 C SER A 113 2.436 -5.906 -16.418 1.00 0.00 C ATOM 1789 O SER A 113 2.752 -6.268 -15.280 1.00 0.00 O ATOM 1790 CB SER A 113 2.812 -7.700 -18.114 1.00 0.00 C ATOM 1791 OG SER A 113 3.074 -7.914 -19.494 1.00 0.00 O ATOM 0 H SER A 113 4.853 -6.197 -16.267 1.00 0.00 H new ATOM 0 HA SER A 113 3.172 -5.592 -18.435 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.306 -8.476 -17.529 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.742 -7.796 -17.932 1.00 0.00 H new ATOM 0 HG SER A 113 3.961 -7.562 -19.717 1.00 0.00 H new ATOM 1797 N LEU A 114 1.338 -5.176 -16.659 1.00 0.00 N ATOM 1798 CA LEU A 114 0.325 -4.824 -15.657 1.00 0.00 C ATOM 1799 C LEU A 114 -1.007 -5.554 -15.931 1.00 0.00 C ATOM 1800 O LEU A 114 -1.341 -5.775 -17.101 1.00 0.00 O ATOM 1801 CB LEU A 114 0.116 -3.300 -15.680 1.00 0.00 C ATOM 1802 CG LEU A 114 1.347 -2.461 -15.284 1.00 0.00 C ATOM 1803 CD1 LEU A 114 1.020 -0.980 -15.500 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.755 -2.696 -13.824 1.00 0.00 C ATOM 0 H LEU A 114 1.125 -4.804 -17.584 1.00 0.00 H new ATOM 0 HA LEU A 114 0.672 -5.137 -14.672 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.195 -3.007 -16.683 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.704 -3.052 -15.006 1.00 0.00 H new ATOM 0 HG LEU A 114 2.188 -2.764 -15.908 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.882 -0.373 -15.224 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.778 -0.810 -16.549 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.167 -0.702 -14.881 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.626 -2.085 -13.587 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.930 -2.421 -13.167 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.999 -3.748 -13.679 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.799 -5.885 -14.891 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.098 -6.530 -15.035 1.00 0.00 C ATOM 1818 C PRO A 115 -4.127 -5.566 -15.626 1.00 0.00 C ATOM 1819 O PRO A 115 -4.030 -4.351 -15.453 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.498 -6.954 -13.621 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.834 -5.905 -12.737 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.534 -5.621 -13.486 1.00 0.00 C ATOM 0 HA PRO A 115 -3.052 -7.380 -15.715 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.581 -6.959 -13.494 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.145 -7.958 -13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.449 -5.010 -12.636 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.649 -6.280 -11.730 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.219 -4.588 -13.338 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.728 -6.255 -13.118 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.137 -6.115 -16.302 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.308 -5.362 -16.753 1.00 0.00 C ATOM 1832 C ASP A 116 -7.297 -5.101 -15.597 1.00 0.00 C ATOM 1833 O ASP A 116 -7.457 -5.903 -14.673 1.00 0.00 O ATOM 1834 CB ASP A 116 -6.979 -6.096 -17.927 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.189 -5.345 -18.515 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.207 -4.088 -18.489 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.130 -6.019 -18.990 1.00 0.00 O ATOM 0 H ASP A 116 -5.166 -7.103 -16.554 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.979 -4.384 -17.103 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.242 -6.253 -18.715 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.302 -7.081 -17.591 1.00 0.00 H new ATOM 1842 N ILE A 117 -7.978 -3.959 -15.689 1.00 0.00 N ATOM 1843 CA ILE A 117 -8.978 -3.445 -14.739 1.00 0.00 C ATOM 1844 C ILE A 117 -10.285 -3.013 -15.430 1.00 0.00 C ATOM 1845 O ILE A 117 -11.207 -2.551 -14.769 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.383 -2.266 -13.933 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.967 -1.121 -14.887 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.223 -2.741 -13.036 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.652 0.178 -14.160 1.00 0.00 C ATOM 0 H ILE A 117 -7.841 -3.325 -16.476 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.232 -4.262 -14.064 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.148 -1.869 -13.266 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.092 -1.432 -15.458 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.769 -0.944 -15.604 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.822 -1.893 -12.480 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.588 -3.493 -12.337 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.437 -3.173 -13.656 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.367 0.941 -14.885 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.533 0.510 -13.611 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.830 0.015 -13.463 1.00 0.00 H new ATOM 1861 N SER A 118 -10.379 -3.138 -16.754 1.00 0.00 N ATOM 1862 CA SER A 118 -11.506 -2.631 -17.561 1.00 0.00 C ATOM 1863 C SER A 118 -12.870 -3.280 -17.236 1.00 0.00 C ATOM 1864 O SER A 118 -13.919 -2.728 -17.569 1.00 0.00 O ATOM 1865 CB SER A 118 -11.208 -2.804 -19.060 1.00 0.00 C ATOM 1866 OG SER A 118 -9.969 -2.217 -19.441 1.00 0.00 O ATOM 0 H SER A 118 -9.664 -3.603 -17.313 1.00 0.00 H new ATOM 0 HA SER A 118 -11.596 -1.577 -17.299 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.193 -3.866 -19.304 1.00 0.00 H new ATOM 0 HB3 SER A 118 -12.013 -2.355 -19.641 1.00 0.00 H new ATOM 0 HG SER A 118 -9.230 -2.770 -19.112 1.00 0.00 H new ATOM 1872 N SER A 119 -12.880 -4.430 -16.555 1.00 0.00 N ATOM 1873 CA SER A 119 -14.087 -5.106 -16.057 1.00 0.00 C ATOM 1874 C SER A 119 -14.593 -4.563 -14.702 1.00 0.00 C ATOM 1875 O SER A 119 -15.661 -4.978 -14.237 1.00 0.00 O ATOM 1876 CB SER A 119 -13.806 -6.613 -15.930 1.00 0.00 C ATOM 1877 OG SER A 119 -13.392 -7.181 -17.167 1.00 0.00 O ATOM 0 H SER A 119 -12.023 -4.934 -16.327 1.00 0.00 H new ATOM 0 HA SER A 119 -14.877 -4.909 -16.782 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.033 -6.776 -15.179 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.704 -7.122 -15.579 1.00 0.00 H new ATOM 0 HG SER A 119 -13.221 -8.138 -17.046 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.847 -3.653 -14.057 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.122 -3.105 -12.724 1.00 0.00 C ATOM 1885 C CYS A 120 -14.846 -1.741 -12.795 1.00 0.00 C ATOM 1886 O CYS A 120 -14.308 -0.783 -13.397 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.799 -3.003 -11.947 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.819 -4.527 -11.852 1.00 0.00 S ATOM 1889 OXT CYS A 120 -15.933 -1.620 -12.189 1.00 0.00 O ATOM 0 H CYS A 120 -13.000 -3.264 -14.470 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.800 -3.778 -12.199 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.187 -2.228 -12.409 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.020 -2.672 -10.932 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.530 -5.467 -11.303 1.00 0.00 H new