USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 948 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 99 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.051) USER MOD Set 2.1: A 37 CYS SG : rot 146:sc= -0.785 USER MOD Set 2.2: A 41 GLN :FLIP amide:sc= -0.731 F(o=-2.4!,f=-1.5) USER MOD Set 3.1: A 30 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.47 USER MOD Single : A 38 GLN : amide:sc= -0.0857 K(o=-0.086,f=-1.3) USER MOD Single : A 39 ASN : amide:sc= 0.00317 X(o=0.0032,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0294 K(o=-0.029,f=-0.97) USER MOD Single : A 70 SER OG : rot 74:sc= 0.356 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 96:sc= 1.07 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HE2:sc= 0.00498 F(o=-0.97,f=0.005) USER MOD Single : A 84 CYS SG : rot 100:sc= -0.649 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -43:sc= 1.15 USER MOD Single : A 93 GLN : amide:sc= -0.68 K(o=-0.68,f=-1.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= -0.0282 (180deg=-0.271) USER MOD Single : A 112 SER OG : rot -45:sc= 0.78 USER MOD Single : A 117 SER OG : rot -57:sc= 0.024 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc=-0.00256 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.294 -17.656 10.110 1.00 0.00 N ATOM 2 CA GLY A 1 -15.387 -17.381 11.024 1.00 0.00 C ATOM 3 C GLY A 1 -15.945 -15.981 10.856 1.00 0.00 C ATOM 4 O GLY A 1 -17.085 -15.808 10.427 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.948 -18.624 10.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.629 -17.560 9.130 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.521 -16.981 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.183 -18.108 10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.040 -17.510 12.049 1.00 0.00 H new ATOM 8 N SER A 2 -15.139 -14.980 11.196 1.00 0.00 N ATOM 9 CA SER A 2 -15.561 -13.589 11.085 1.00 0.00 C ATOM 10 C SER A 2 -15.108 -12.988 9.758 1.00 0.00 C ATOM 11 O SER A 2 -13.942 -12.630 9.591 1.00 0.00 O ATOM 12 CB SER A 2 -14.997 -12.769 12.248 1.00 0.00 C ATOM 13 OG SER A 2 -15.846 -12.838 13.380 1.00 0.00 O ATOM 0 H SER A 2 -14.191 -15.106 11.550 1.00 0.00 H new ATOM 0 HA SER A 2 -16.650 -13.561 11.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.006 -13.138 12.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.879 -11.730 11.941 1.00 0.00 H new ATOM 0 HG SER A 2 -15.463 -12.307 14.109 1.00 0.00 H new ATOM 19 N SER A 3 -16.040 -12.880 8.816 1.00 0.00 N ATOM 20 CA SER A 3 -15.738 -12.327 7.501 1.00 0.00 C ATOM 21 C SER A 3 -17.017 -11.932 6.771 1.00 0.00 C ATOM 22 O SER A 3 -18.087 -12.485 7.025 1.00 0.00 O ATOM 23 CB SER A 3 -14.952 -13.339 6.666 1.00 0.00 C ATOM 24 OG SER A 3 -14.136 -12.687 5.709 1.00 0.00 O ATOM 0 H SER A 3 -17.011 -13.168 8.939 1.00 0.00 H new ATOM 0 HA SER A 3 -15.130 -11.433 7.641 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.332 -13.951 7.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.643 -14.013 6.160 1.00 0.00 H new ATOM 0 HG SER A 3 -13.643 -13.356 5.190 1.00 0.00 H new ATOM 30 N GLY A 4 -16.899 -10.970 5.860 1.00 0.00 N ATOM 31 CA GLY A 4 -18.053 -10.517 5.106 1.00 0.00 C ATOM 32 C GLY A 4 -17.665 -9.764 3.849 1.00 0.00 C ATOM 33 O GLY A 4 -17.992 -10.185 2.739 1.00 0.00 O ATOM 0 H GLY A 4 -16.025 -10.497 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.667 -11.376 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.666 -9.873 5.737 1.00 0.00 H new ATOM 37 N SER A 5 -16.967 -8.646 4.022 1.00 0.00 N ATOM 38 CA SER A 5 -16.538 -7.830 2.892 1.00 0.00 C ATOM 39 C SER A 5 -15.057 -8.045 2.597 1.00 0.00 C ATOM 40 O SER A 5 -14.191 -7.519 3.297 1.00 0.00 O ATOM 41 CB SER A 5 -16.804 -6.350 3.175 1.00 0.00 C ATOM 42 OG SER A 5 -16.771 -5.589 1.981 1.00 0.00 O ATOM 0 H SER A 5 -16.687 -8.285 4.934 1.00 0.00 H new ATOM 0 HA SER A 5 -17.112 -8.135 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.776 -6.237 3.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.058 -5.970 3.873 1.00 0.00 H new ATOM 0 HG SER A 5 -16.946 -4.647 2.188 1.00 0.00 H new ATOM 48 N SER A 6 -14.774 -8.822 1.556 1.00 0.00 N ATOM 49 CA SER A 6 -13.398 -9.110 1.170 1.00 0.00 C ATOM 50 C SER A 6 -12.864 -8.042 0.221 1.00 0.00 C ATOM 51 O SER A 6 -13.265 -7.971 -0.940 1.00 0.00 O ATOM 52 CB SER A 6 -13.309 -10.487 0.508 1.00 0.00 C ATOM 53 OG SER A 6 -12.028 -10.699 -0.059 1.00 0.00 O ATOM 0 H SER A 6 -15.479 -9.263 0.965 1.00 0.00 H new ATOM 0 HA SER A 6 -12.786 -9.108 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.516 -11.262 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.071 -10.571 -0.266 1.00 0.00 H new ATOM 0 HG SER A 6 -11.997 -11.586 -0.474 1.00 0.00 H new ATOM 59 N GLY A 7 -11.956 -7.211 0.724 1.00 0.00 N ATOM 60 CA GLY A 7 -11.382 -6.156 -0.091 1.00 0.00 C ATOM 61 C GLY A 7 -9.884 -6.308 -0.263 1.00 0.00 C ATOM 62 O GLY A 7 -9.182 -6.699 0.668 1.00 0.00 O ATOM 0 H GLY A 7 -11.608 -7.250 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.859 -6.157 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.596 -5.190 0.367 1.00 0.00 H new ATOM 66 N ASN A 8 -9.393 -5.997 -1.459 1.00 0.00 N ATOM 67 CA ASN A 8 -7.968 -6.103 -1.751 1.00 0.00 C ATOM 68 C ASN A 8 -7.160 -5.163 -0.862 1.00 0.00 C ATOM 69 O ASN A 8 -6.091 -5.523 -0.369 1.00 0.00 O ATOM 70 CB ASN A 8 -7.703 -5.785 -3.224 1.00 0.00 C ATOM 71 CG ASN A 8 -8.273 -6.838 -4.155 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.348 -6.659 -4.727 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.553 -7.942 -4.309 1.00 0.00 N ATOM 0 H ASN A 8 -9.961 -5.670 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.655 -7.127 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.137 -4.815 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.628 -5.703 -3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.885 -8.686 -4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.667 -8.046 -3.814 1.00 0.00 H new ATOM 80 N VAL A 9 -7.677 -3.955 -0.663 1.00 0.00 N ATOM 81 CA VAL A 9 -7.005 -2.962 0.168 1.00 0.00 C ATOM 82 C VAL A 9 -7.885 -2.538 1.338 1.00 0.00 C ATOM 83 O VAL A 9 -9.098 -2.385 1.193 1.00 0.00 O ATOM 84 CB VAL A 9 -6.620 -1.715 -0.649 1.00 0.00 C ATOM 85 CG1 VAL A 9 -5.933 -0.687 0.237 1.00 0.00 C ATOM 86 CG2 VAL A 9 -5.731 -2.100 -1.822 1.00 0.00 C ATOM 0 H VAL A 9 -8.559 -3.640 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.098 -3.431 0.551 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.531 -1.266 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.668 0.187 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.608 -0.389 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.030 -1.121 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.469 -1.206 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.822 -2.574 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.264 -2.796 -2.469 1.00 0.00 H new ATOM 96 N ARG A 10 -7.266 -2.350 2.499 1.00 0.00 N ATOM 97 CA ARG A 10 -7.993 -1.945 3.696 1.00 0.00 C ATOM 98 C ARG A 10 -7.913 -0.434 3.894 1.00 0.00 C ATOM 99 O ARG A 10 -6.922 0.200 3.530 1.00 0.00 O ATOM 100 CB ARG A 10 -7.433 -2.661 4.926 1.00 0.00 C ATOM 101 CG ARG A 10 -7.899 -4.102 5.055 1.00 0.00 C ATOM 102 CD ARG A 10 -9.217 -4.196 5.808 1.00 0.00 C ATOM 103 NE ARG A 10 -10.366 -4.116 4.911 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.576 -3.727 5.299 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.792 -3.383 6.561 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.572 -3.680 4.423 1.00 0.00 N ATOM 0 H ARG A 10 -6.263 -2.472 2.636 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.039 -2.223 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.344 -2.642 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.726 -2.112 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.014 -4.539 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.139 -4.686 5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.253 -5.135 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.273 -3.392 6.542 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.233 -4.373 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.029 -3.417 7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.722 -3.085 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.409 -3.943 3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.500 -3.381 4.722 1.00 0.00 H new ATOM 120 N VAL A 11 -8.964 0.138 4.474 1.00 0.00 N ATOM 121 CA VAL A 11 -9.013 1.574 4.721 1.00 0.00 C ATOM 122 C VAL A 11 -8.810 1.884 6.200 1.00 0.00 C ATOM 123 O VAL A 11 -9.753 1.831 6.991 1.00 0.00 O ATOM 124 CB VAL A 11 -10.353 2.178 4.260 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.406 3.664 4.578 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.563 1.934 2.774 1.00 0.00 C ATOM 0 H VAL A 11 -9.793 -0.371 4.781 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.204 2.022 4.144 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.160 1.686 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.360 4.074 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.304 3.810 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.592 4.175 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.514 2.367 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.753 2.398 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.572 0.862 2.579 1.00 0.00 H new ATOM 136 N ILE A 12 -7.575 2.209 6.567 1.00 0.00 N ATOM 137 CA ILE A 12 -7.249 2.529 7.951 1.00 0.00 C ATOM 138 C ILE A 12 -7.574 3.984 8.270 1.00 0.00 C ATOM 139 O ILE A 12 -7.324 4.880 7.462 1.00 0.00 O ATOM 140 CB ILE A 12 -5.762 2.269 8.254 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.412 0.804 7.984 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.442 2.638 9.695 1.00 0.00 C ATOM 143 CD1 ILE A 12 -6.129 -0.167 8.897 1.00 0.00 C ATOM 0 H ILE A 12 -6.784 2.258 5.925 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.858 1.877 8.577 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.158 2.895 7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.657 0.565 6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.336 0.669 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.387 2.448 9.893 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.658 3.694 9.857 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.052 2.036 10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.833 -1.186 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.865 0.045 9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.206 -0.060 8.768 1.00 0.00 H new ATOM 155 N THR A 13 -8.131 4.215 9.454 1.00 0.00 N ATOM 156 CA THR A 13 -8.490 5.562 9.881 1.00 0.00 C ATOM 157 C THR A 13 -7.688 5.982 11.108 1.00 0.00 C ATOM 158 O THR A 13 -6.789 5.265 11.548 1.00 0.00 O ATOM 159 CB THR A 13 -9.993 5.668 10.203 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.341 4.730 11.228 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.832 5.405 8.962 1.00 0.00 C ATOM 0 H THR A 13 -8.344 3.486 10.135 1.00 0.00 H new ATOM 0 HA THR A 13 -8.256 6.229 9.051 1.00 0.00 H new ATOM 0 HB THR A 13 -10.197 6.680 10.552 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.297 4.804 11.429 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.889 5.485 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.585 6.138 8.194 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.623 4.403 8.587 1.00 0.00 H new ATOM 169 N ASP A 14 -8.020 7.146 11.655 1.00 0.00 N ATOM 170 CA ASP A 14 -7.331 7.661 12.833 1.00 0.00 C ATOM 171 C ASP A 14 -7.629 6.800 14.056 1.00 0.00 C ATOM 172 O ASP A 14 -7.100 7.041 15.140 1.00 0.00 O ATOM 173 CB ASP A 14 -7.745 9.109 13.100 1.00 0.00 C ATOM 174 CG ASP A 14 -6.885 10.105 12.346 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.879 10.059 11.098 1.00 0.00 O ATOM 176 OD2 ASP A 14 -6.219 10.931 13.004 1.00 0.00 O ATOM 0 H ASP A 14 -8.762 7.751 11.302 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.259 7.628 12.640 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.788 9.244 12.814 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.679 9.312 14.169 1.00 0.00 H new ATOM 181 N GLU A 15 -8.481 5.796 13.873 1.00 0.00 N ATOM 182 CA GLU A 15 -8.851 4.901 14.963 1.00 0.00 C ATOM 183 C GLU A 15 -8.298 3.498 14.727 1.00 0.00 C ATOM 184 O GLU A 15 -7.664 2.914 15.605 1.00 0.00 O ATOM 185 CB GLU A 15 -10.373 4.842 15.111 1.00 0.00 C ATOM 186 CG GLU A 15 -10.987 6.142 15.603 1.00 0.00 C ATOM 187 CD GLU A 15 -11.256 7.123 14.478 1.00 0.00 C ATOM 188 OE1 GLU A 15 -12.074 6.800 13.592 1.00 0.00 O ATOM 189 OE2 GLU A 15 -10.648 8.214 14.485 1.00 0.00 O ATOM 0 H GLU A 15 -8.927 5.582 12.981 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.419 5.294 15.883 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.814 4.583 14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.632 4.042 15.805 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.921 5.925 16.122 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.318 6.603 16.330 1.00 0.00 H new ATOM 196 N ASN A 16 -8.544 2.964 13.535 1.00 0.00 N ATOM 197 CA ASN A 16 -8.072 1.630 13.183 1.00 0.00 C ATOM 198 C ASN A 16 -6.548 1.581 13.161 1.00 0.00 C ATOM 199 O ASN A 16 -5.950 0.511 13.277 1.00 0.00 O ATOM 200 CB ASN A 16 -8.627 1.213 11.819 1.00 0.00 C ATOM 201 CG ASN A 16 -9.918 0.426 11.936 1.00 0.00 C ATOM 202 OD1 ASN A 16 -10.702 0.632 12.862 1.00 0.00 O ATOM 203 ND2 ASN A 16 -10.143 -0.484 10.995 1.00 0.00 N ATOM 0 H ASN A 16 -9.067 3.435 12.797 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.429 0.933 13.941 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.801 2.102 11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.884 0.611 11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.994 -1.046 11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.465 -0.621 10.245 1.00 0.00 H new ATOM 210 N TRP A 17 -5.926 2.745 13.011 1.00 0.00 N ATOM 211 CA TRP A 17 -4.471 2.834 12.974 1.00 0.00 C ATOM 212 C TRP A 17 -3.840 1.848 13.950 1.00 0.00 C ATOM 213 O TRP A 17 -2.902 1.129 13.602 1.00 0.00 O ATOM 214 CB TRP A 17 -4.018 4.258 13.305 1.00 0.00 C ATOM 215 CG TRP A 17 -3.797 4.485 14.770 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.657 5.084 15.645 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.639 4.119 15.528 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.104 5.113 16.903 1.00 0.00 N ATOM 219 CE2 TRP A 17 -2.867 4.526 16.858 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.434 3.486 15.215 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -1.932 4.320 17.869 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.507 3.282 16.220 1.00 0.00 C ATOM 223 CH2 TRP A 17 -0.761 3.697 17.534 1.00 0.00 C ATOM 0 H TRP A 17 -6.406 3.640 12.913 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.142 2.580 11.966 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.094 4.472 12.768 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.767 4.963 12.944 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.629 5.477 15.387 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.543 5.507 17.735 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.230 3.162 14.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.124 4.641 18.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.429 2.795 15.989 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.018 3.522 18.298 1.00 0.00 H new ATOM 234 N ARG A 18 -4.359 1.817 15.173 1.00 0.00 N ATOM 235 CA ARG A 18 -3.845 0.918 16.200 1.00 0.00 C ATOM 236 C ARG A 18 -3.585 -0.471 15.625 1.00 0.00 C ATOM 237 O ARG A 18 -2.524 -1.055 15.843 1.00 0.00 O ATOM 238 CB ARG A 18 -4.831 0.824 17.365 1.00 0.00 C ATOM 239 CG ARG A 18 -4.837 2.053 18.259 1.00 0.00 C ATOM 240 CD ARG A 18 -5.209 1.700 19.690 1.00 0.00 C ATOM 241 NE ARG A 18 -5.512 2.886 20.486 1.00 0.00 N ATOM 242 CZ ARG A 18 -6.707 3.467 20.513 1.00 0.00 C ATOM 243 NH1 ARG A 18 -7.705 2.972 19.793 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.906 4.544 21.262 1.00 0.00 N ATOM 0 H ARG A 18 -5.135 2.404 15.477 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.901 1.324 16.564 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.834 0.669 16.969 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.587 -0.051 17.967 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.853 2.521 18.243 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.544 2.785 17.868 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.073 1.036 19.686 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.388 1.153 20.153 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.766 3.291 21.052 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.556 2.144 19.217 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.621 3.420 19.816 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.141 4.927 21.818 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.824 4.989 21.282 1.00 0.00 H new ATOM 258 N GLU A 19 -4.562 -0.994 14.891 1.00 0.00 N ATOM 259 CA GLU A 19 -4.439 -2.316 14.286 1.00 0.00 C ATOM 260 C GLU A 19 -3.073 -2.487 13.627 1.00 0.00 C ATOM 261 O GLU A 19 -2.493 -3.574 13.647 1.00 0.00 O ATOM 262 CB GLU A 19 -5.547 -2.534 13.254 1.00 0.00 C ATOM 263 CG GLU A 19 -6.946 -2.486 13.844 1.00 0.00 C ATOM 264 CD GLU A 19 -7.123 -3.445 15.005 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.799 -3.061 16.148 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.587 -4.581 14.769 1.00 0.00 O ATOM 0 H GLU A 19 -5.447 -0.523 14.701 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.538 -3.060 15.076 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.463 -1.774 12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.398 -3.500 12.772 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.160 -1.471 14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.672 -2.724 13.067 1.00 0.00 H new ATOM 273 N LEU A 20 -2.565 -1.408 13.043 1.00 0.00 N ATOM 274 CA LEU A 20 -1.268 -1.437 12.376 1.00 0.00 C ATOM 275 C LEU A 20 -0.185 -1.957 13.316 1.00 0.00 C ATOM 276 O LEU A 20 0.694 -2.717 12.908 1.00 0.00 O ATOM 277 CB LEU A 20 -0.897 -0.040 11.876 1.00 0.00 C ATOM 278 CG LEU A 20 -1.934 0.653 10.992 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.593 2.125 10.822 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.025 -0.035 9.637 1.00 0.00 C ATOM 0 H LEU A 20 -3.032 -0.501 13.018 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.340 -2.113 11.524 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.704 0.594 12.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.037 -0.111 11.318 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.906 0.581 11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.342 2.601 10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.580 2.610 11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.612 2.220 10.356 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.768 0.472 9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.055 0.006 9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.318 -1.076 9.776 1.00 0.00 H new ATOM 292 N LEU A 21 -0.255 -1.545 14.577 1.00 0.00 N ATOM 293 CA LEU A 21 0.719 -1.971 15.577 1.00 0.00 C ATOM 294 C LEU A 21 0.715 -3.489 15.728 1.00 0.00 C ATOM 295 O LEU A 21 1.702 -4.080 16.163 1.00 0.00 O ATOM 296 CB LEU A 21 0.417 -1.312 16.924 1.00 0.00 C ATOM 297 CG LEU A 21 0.425 0.217 16.940 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.091 0.740 18.271 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.825 0.746 16.663 1.00 0.00 C ATOM 0 H LEU A 21 -0.976 -0.916 14.932 1.00 0.00 H new ATOM 0 HA LEU A 21 1.708 -1.660 15.241 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.561 -1.654 17.262 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.147 -1.667 17.651 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.239 0.573 16.152 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.078 1.830 18.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.111 0.390 18.428 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.546 0.375 19.077 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.812 1.836 16.678 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.510 0.381 17.428 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.157 0.401 15.684 1.00 0.00 H new ATOM 311 N GLU A 22 -0.401 -4.112 15.363 1.00 0.00 N ATOM 312 CA GLU A 22 -0.531 -5.561 15.458 1.00 0.00 C ATOM 313 C GLU A 22 -0.313 -6.217 14.097 1.00 0.00 C ATOM 314 O GLU A 22 -0.888 -5.797 13.094 1.00 0.00 O ATOM 315 CB GLU A 22 -1.911 -5.937 16.002 1.00 0.00 C ATOM 316 CG GLU A 22 -2.250 -5.263 17.320 1.00 0.00 C ATOM 317 CD GLU A 22 -3.633 -5.629 17.824 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.575 -5.657 17.006 1.00 0.00 O ATOM 319 OE2 GLU A 22 -3.771 -5.888 19.038 1.00 0.00 O ATOM 0 H GLU A 22 -1.227 -3.637 14.999 1.00 0.00 H new ATOM 0 HA GLU A 22 0.234 -5.925 16.144 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.668 -5.673 15.263 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.958 -7.018 16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.509 -5.543 18.068 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.186 -4.182 17.198 1.00 0.00 H new ATOM 326 N GLY A 23 0.524 -7.250 14.072 1.00 0.00 N ATOM 327 CA GLY A 23 0.805 -7.947 12.831 1.00 0.00 C ATOM 328 C GLY A 23 1.358 -7.027 11.761 1.00 0.00 C ATOM 329 O GLY A 23 1.511 -5.825 11.985 1.00 0.00 O ATOM 0 H GLY A 23 1.012 -7.616 14.889 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.519 -8.748 13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.109 -8.415 12.466 1.00 0.00 H new ATOM 333 N ASP A 24 1.662 -7.590 10.597 1.00 0.00 N ATOM 334 CA ASP A 24 2.203 -6.812 9.489 1.00 0.00 C ATOM 335 C ASP A 24 1.112 -5.971 8.832 1.00 0.00 C ATOM 336 O ASP A 24 -0.032 -6.408 8.709 1.00 0.00 O ATOM 337 CB ASP A 24 2.844 -7.736 8.453 1.00 0.00 C ATOM 338 CG ASP A 24 3.938 -8.602 9.048 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.788 -8.060 9.784 1.00 0.00 O ATOM 340 OD2 ASP A 24 3.943 -9.821 8.778 1.00 0.00 O ATOM 0 H ASP A 24 1.543 -8.583 10.396 1.00 0.00 H new ATOM 0 HA ASP A 24 2.965 -6.141 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.077 -8.375 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.259 -7.136 7.643 1.00 0.00 H new ATOM 345 N TRP A 25 1.475 -4.764 8.414 1.00 0.00 N ATOM 346 CA TRP A 25 0.527 -3.861 7.771 1.00 0.00 C ATOM 347 C TRP A 25 1.232 -2.956 6.767 1.00 0.00 C ATOM 348 O TRP A 25 2.144 -2.210 7.124 1.00 0.00 O ATOM 349 CB TRP A 25 -0.196 -3.015 8.821 1.00 0.00 C ATOM 350 CG TRP A 25 -1.324 -3.738 9.493 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.228 -4.620 10.531 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.715 -3.641 9.172 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.478 -5.078 10.875 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.407 -4.491 10.057 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.445 -2.917 8.226 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.791 -4.637 10.020 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.819 -3.063 8.190 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.480 -3.916 9.083 1.00 0.00 C ATOM 0 H TRP A 25 2.418 -4.388 8.509 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.205 -4.465 7.235 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.522 -2.695 9.576 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.583 -2.113 8.347 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.306 -4.914 11.011 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.681 -5.746 11.618 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.944 -2.255 7.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.303 -5.296 10.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.393 -2.510 7.461 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.555 -4.006 9.031 1.00 0.00 H new ATOM 369 N MET A 26 0.804 -3.025 5.511 1.00 0.00 N ATOM 370 CA MET A 26 1.394 -2.209 4.457 1.00 0.00 C ATOM 371 C MET A 26 0.550 -0.966 4.194 1.00 0.00 C ATOM 372 O MET A 26 -0.559 -1.058 3.667 1.00 0.00 O ATOM 373 CB MET A 26 1.536 -3.025 3.170 1.00 0.00 C ATOM 374 CG MET A 26 2.785 -3.892 3.135 1.00 0.00 C ATOM 375 SD MET A 26 4.304 -2.926 3.229 1.00 0.00 S ATOM 376 CE MET A 26 4.699 -2.746 1.492 1.00 0.00 C ATOM 0 H MET A 26 0.051 -3.638 5.198 1.00 0.00 H new ATOM 0 HA MET A 26 2.383 -1.891 4.789 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.659 -3.661 3.054 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.551 -2.345 2.318 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.756 -4.598 3.965 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.789 -4.480 2.217 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.617 -2.169 1.386 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.836 -3.731 1.046 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.884 -2.229 0.985 1.00 0.00 H new ATOM 386 N ILE A 27 1.082 0.194 4.563 1.00 0.00 N ATOM 387 CA ILE A 27 0.377 1.455 4.366 1.00 0.00 C ATOM 388 C ILE A 27 0.995 2.258 3.226 1.00 0.00 C ATOM 389 O ILE A 27 2.197 2.172 2.974 1.00 0.00 O ATOM 390 CB ILE A 27 0.386 2.311 5.646 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.126 1.496 6.835 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.457 3.563 5.452 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.348 2.016 8.174 1.00 0.00 C ATOM 0 H ILE A 27 1.999 0.287 5.000 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.653 1.204 4.114 1.00 0.00 H new ATOM 0 HB ILE A 27 1.412 2.616 5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.216 1.493 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.197 0.461 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.441 4.158 6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.051 4.151 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.484 3.278 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.054 1.390 8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.437 1.993 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.003 3.041 8.309 1.00 0.00 H new ATOM 405 N GLU A 28 0.165 3.039 2.542 1.00 0.00 N ATOM 406 CA GLU A 28 0.631 3.858 1.429 1.00 0.00 C ATOM 407 C GLU A 28 -0.143 5.171 1.359 1.00 0.00 C ATOM 408 O GLU A 28 -1.306 5.198 0.955 1.00 0.00 O ATOM 409 CB GLU A 28 0.486 3.096 0.110 1.00 0.00 C ATOM 410 CG GLU A 28 -0.882 2.463 -0.080 1.00 0.00 C ATOM 411 CD GLU A 28 -1.251 2.300 -1.542 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.331 2.138 -2.371 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.459 2.335 -1.856 1.00 0.00 O ATOM 0 H GLU A 28 -0.832 3.122 2.739 1.00 0.00 H new ATOM 0 HA GLU A 28 1.684 4.085 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.679 3.779 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.247 2.317 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.897 1.487 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.634 3.077 0.415 1.00 0.00 H new ATOM 420 N PHE A 29 0.510 6.258 1.755 1.00 0.00 N ATOM 421 CA PHE A 29 -0.117 7.575 1.739 1.00 0.00 C ATOM 422 C PHE A 29 -0.272 8.086 0.309 1.00 0.00 C ATOM 423 O PHE A 29 0.714 8.282 -0.402 1.00 0.00 O ATOM 424 CB PHE A 29 0.709 8.567 2.560 1.00 0.00 C ATOM 425 CG PHE A 29 0.754 8.240 4.026 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.537 7.198 4.493 1.00 0.00 C ATOM 427 CD2 PHE A 29 0.012 8.976 4.936 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.581 6.895 5.841 1.00 0.00 C ATOM 429 CE2 PHE A 29 0.052 8.679 6.285 1.00 0.00 C ATOM 430 CZ PHE A 29 0.837 7.636 6.738 1.00 0.00 C ATOM 0 H PHE A 29 1.473 6.253 2.091 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.108 7.483 2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.726 8.591 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.295 9.567 2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.120 6.615 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.605 9.791 4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.196 6.080 6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.530 9.261 6.984 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.869 7.401 7.792 1.00 0.00 H new ATOM 440 N TYR A 30 -1.516 8.298 -0.105 1.00 0.00 N ATOM 441 CA TYR A 30 -1.801 8.783 -1.450 1.00 0.00 C ATOM 442 C TYR A 30 -2.667 10.039 -1.404 1.00 0.00 C ATOM 443 O TYR A 30 -3.153 10.432 -0.345 1.00 0.00 O ATOM 444 CB TYR A 30 -2.502 7.697 -2.268 1.00 0.00 C ATOM 445 CG TYR A 30 -3.981 7.578 -1.977 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.901 8.415 -2.596 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.458 6.628 -1.082 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.252 8.311 -2.332 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.808 6.515 -0.813 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.701 7.359 -1.440 1.00 0.00 C ATOM 451 OH TYR A 30 -8.047 7.251 -1.175 1.00 0.00 O ATOM 0 H TYR A 30 -2.343 8.142 0.471 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.854 9.034 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.365 7.908 -3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.023 6.738 -2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.553 9.160 -3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.761 5.967 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.953 8.971 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.162 5.770 -0.116 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.559 7.523 -1.965 1.00 0.00 H new ATOM 461 N ALA A 31 -2.854 10.663 -2.563 1.00 0.00 N ATOM 462 CA ALA A 31 -3.662 11.872 -2.657 1.00 0.00 C ATOM 463 C ALA A 31 -4.457 11.901 -3.958 1.00 0.00 C ATOM 464 O ALA A 31 -3.951 11.566 -5.030 1.00 0.00 O ATOM 465 CB ALA A 31 -2.780 13.106 -2.547 1.00 0.00 C ATOM 0 H ALA A 31 -2.457 10.351 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.371 11.871 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.397 14.002 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.262 13.098 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.048 13.104 -3.355 1.00 0.00 H new ATOM 471 N PRO A 32 -5.731 12.311 -3.866 1.00 0.00 N ATOM 472 CA PRO A 32 -6.622 12.393 -5.027 1.00 0.00 C ATOM 473 C PRO A 32 -6.228 13.515 -5.981 1.00 0.00 C ATOM 474 O PRO A 32 -6.773 13.628 -7.079 1.00 0.00 O ATOM 475 CB PRO A 32 -7.991 12.678 -4.403 1.00 0.00 C ATOM 476 CG PRO A 32 -7.685 13.337 -3.103 1.00 0.00 C ATOM 477 CD PRO A 32 -6.399 12.726 -2.621 1.00 0.00 C ATOM 0 HA PRO A 32 -6.593 11.485 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.591 13.325 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.559 11.759 -4.257 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.582 14.415 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.488 13.174 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.798 13.443 -2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.580 11.878 -1.960 1.00 0.00 H new ATOM 485 N TRP A 33 -5.278 14.341 -5.557 1.00 0.00 N ATOM 486 CA TRP A 33 -4.811 15.454 -6.375 1.00 0.00 C ATOM 487 C TRP A 33 -3.343 15.277 -6.748 1.00 0.00 C ATOM 488 O TRP A 33 -2.683 16.226 -7.172 1.00 0.00 O ATOM 489 CB TRP A 33 -5.006 16.777 -5.633 1.00 0.00 C ATOM 490 CG TRP A 33 -4.944 16.636 -4.142 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.977 16.784 -3.261 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.788 16.322 -3.359 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.532 16.580 -1.977 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.193 16.294 -2.010 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.450 16.059 -3.665 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.308 16.016 -0.972 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.572 15.783 -2.634 1.00 0.00 C ATOM 498 CH2 TRP A 33 -2.004 15.762 -1.301 1.00 0.00 C ATOM 0 H TRP A 33 -4.816 14.261 -4.651 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.400 15.470 -7.292 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.241 17.483 -5.956 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.970 17.203 -5.911 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.994 17.026 -3.533 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.106 16.633 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.108 16.071 -4.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.639 16.001 0.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.535 15.580 -2.859 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.294 15.541 -0.518 1.00 0.00 H new ATOM 509 N CYS A 34 -2.839 14.059 -6.587 1.00 0.00 N ATOM 510 CA CYS A 34 -1.448 13.759 -6.906 1.00 0.00 C ATOM 511 C CYS A 34 -1.349 12.941 -8.190 1.00 0.00 C ATOM 512 O CYS A 34 -2.035 11.934 -8.368 1.00 0.00 O ATOM 513 CB CYS A 34 -0.790 13.001 -5.752 1.00 0.00 C ATOM 514 SG CYS A 34 0.958 12.625 -6.018 1.00 0.00 S ATOM 0 H CYS A 34 -3.373 13.263 -6.237 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.924 14.703 -7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.889 13.591 -4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.330 12.069 -5.589 1.00 0.00 H new ATOM 0 HG CYS A 34 1.426 11.985 -4.987 1.00 0.00 H new ATOM 520 N PRO A 35 -0.477 13.383 -9.108 1.00 0.00 N ATOM 521 CA PRO A 35 -0.268 12.707 -10.392 1.00 0.00 C ATOM 522 C PRO A 35 0.432 11.362 -10.232 1.00 0.00 C ATOM 523 O PRO A 35 0.233 10.449 -11.033 1.00 0.00 O ATOM 524 CB PRO A 35 0.621 13.684 -11.166 1.00 0.00 C ATOM 525 CG PRO A 35 1.333 14.463 -10.115 1.00 0.00 C ATOM 526 CD PRO A 35 0.374 14.576 -8.963 1.00 0.00 C ATOM 0 HA PRO A 35 -1.210 12.479 -10.891 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.323 13.155 -11.810 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.028 14.335 -11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.251 13.960 -9.811 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.617 15.448 -10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.895 14.584 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.210 15.495 -9.015 1.00 0.00 H new ATOM 534 N ALA A 36 1.252 11.247 -9.192 1.00 0.00 N ATOM 535 CA ALA A 36 1.979 10.012 -8.927 1.00 0.00 C ATOM 536 C ALA A 36 1.046 8.927 -8.400 1.00 0.00 C ATOM 537 O ALA A 36 1.131 7.769 -8.811 1.00 0.00 O ATOM 538 CB ALA A 36 3.107 10.266 -7.937 1.00 0.00 C ATOM 0 H ALA A 36 1.429 11.994 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 36 2.406 9.662 -9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.642 9.335 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.796 11.002 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.692 10.643 -7.002 1.00 0.00 H new ATOM 544 N CYS A 37 0.157 9.309 -7.490 1.00 0.00 N ATOM 545 CA CYS A 37 -0.792 8.368 -6.906 1.00 0.00 C ATOM 546 C CYS A 37 -1.598 7.664 -7.993 1.00 0.00 C ATOM 547 O CYS A 37 -1.735 6.441 -7.983 1.00 0.00 O ATOM 548 CB CYS A 37 -1.735 9.092 -5.944 1.00 0.00 C ATOM 549 SG CYS A 37 -3.337 8.283 -5.730 1.00 0.00 S ATOM 0 H CYS A 37 0.073 10.264 -7.141 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.227 7.617 -6.353 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.250 9.176 -4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.898 10.107 -6.307 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.754 8.462 -4.512 1.00 0.00 H new ATOM 555 N GLN A 38 -2.131 8.445 -8.927 1.00 0.00 N ATOM 556 CA GLN A 38 -2.926 7.896 -10.019 1.00 0.00 C ATOM 557 C GLN A 38 -2.189 6.751 -10.706 1.00 0.00 C ATOM 558 O GLN A 38 -2.810 5.858 -11.282 1.00 0.00 O ATOM 559 CB GLN A 38 -3.257 8.989 -11.037 1.00 0.00 C ATOM 560 CG GLN A 38 -3.594 10.329 -10.403 1.00 0.00 C ATOM 561 CD GLN A 38 -4.567 11.140 -11.235 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.844 10.807 -12.388 1.00 0.00 O ATOM 563 NE2 GLN A 38 -5.093 12.213 -10.655 1.00 0.00 N ATOM 0 H GLN A 38 -2.027 9.459 -8.949 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.854 7.507 -9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.408 9.117 -11.709 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.100 8.663 -11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.020 10.162 -9.414 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.677 10.901 -10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.836 12.453 -9.697 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.754 12.797 -11.167 1.00 0.00 H new ATOM 572 N ASN A 39 -0.862 6.785 -10.643 1.00 0.00 N ATOM 573 CA ASN A 39 -0.041 5.750 -11.260 1.00 0.00 C ATOM 574 C ASN A 39 0.148 4.568 -10.313 1.00 0.00 C ATOM 575 O ASN A 39 0.290 3.426 -10.750 1.00 0.00 O ATOM 576 CB ASN A 39 1.322 6.321 -11.658 1.00 0.00 C ATOM 577 CG ASN A 39 1.305 6.948 -13.039 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.215 6.250 -14.049 1.00 0.00 O ATOM 579 ND2 ASN A 39 1.391 8.273 -13.088 1.00 0.00 N ATOM 0 H ASN A 39 -0.332 7.518 -10.171 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.556 5.398 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.627 7.069 -10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.068 5.526 -11.632 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.384 8.752 -13.989 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.464 8.812 -12.225 1.00 0.00 H new ATOM 586 N LEU A 40 0.147 4.851 -9.015 1.00 0.00 N ATOM 587 CA LEU A 40 0.317 3.812 -8.006 1.00 0.00 C ATOM 588 C LEU A 40 -1.008 3.117 -7.712 1.00 0.00 C ATOM 589 O LEU A 40 -1.032 1.998 -7.199 1.00 0.00 O ATOM 590 CB LEU A 40 0.888 4.412 -6.719 1.00 0.00 C ATOM 591 CG LEU A 40 1.202 3.421 -5.598 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.454 2.622 -5.927 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.365 4.149 -4.272 1.00 0.00 C ATOM 0 H LEU A 40 0.030 5.791 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 40 1.016 3.072 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.803 4.950 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.179 5.147 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 40 0.366 2.727 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.662 1.922 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.300 2.070 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.298 3.301 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.588 3.428 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.182 4.866 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.442 4.675 -4.030 1.00 0.00 H new ATOM 605 N GLN A 41 -2.108 3.786 -8.042 1.00 0.00 N ATOM 606 CA GLN A 41 -3.437 3.230 -7.815 1.00 0.00 C ATOM 607 C GLN A 41 -3.478 1.750 -8.181 1.00 0.00 C ATOM 608 O GLN A 41 -3.820 0.893 -7.366 1.00 0.00 O ATOM 609 CB GLN A 41 -4.480 3.999 -8.628 1.00 0.00 C ATOM 610 CG GLN A 41 -5.093 5.170 -7.878 1.00 0.00 C ATOM 611 CD GLN A 41 -5.413 4.837 -6.435 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.446 5.049 -5.550 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.517 4.393 -6.118 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.105 4.713 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.669 3.329 -6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.016 4.367 -9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.274 3.314 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.405 6.015 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.005 5.483 -8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.231 4.245 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.717 4.173 -5.142 1.00 0.00 H new ATOM 622 N PRO A 42 -3.123 1.441 -9.437 1.00 0.00 N ATOM 623 CA PRO A 42 -3.111 0.064 -9.940 1.00 0.00 C ATOM 624 C PRO A 42 -2.000 -0.772 -9.315 1.00 0.00 C ATOM 625 O PRO A 42 -2.219 -1.917 -8.922 1.00 0.00 O ATOM 626 CB PRO A 42 -2.871 0.237 -11.442 1.00 0.00 C ATOM 627 CG PRO A 42 -2.163 1.543 -11.564 1.00 0.00 C ATOM 628 CD PRO A 42 -2.704 2.412 -10.462 1.00 0.00 C ATOM 0 HA PRO A 42 -4.033 -0.466 -9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.269 -0.579 -11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.810 0.243 -11.995 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.085 1.413 -11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.342 1.994 -12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.946 3.097 -10.081 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.541 3.021 -10.804 1.00 0.00 H new ATOM 636 N GLU A 43 -0.807 -0.191 -9.227 1.00 0.00 N ATOM 637 CA GLU A 43 0.338 -0.885 -8.649 1.00 0.00 C ATOM 638 C GLU A 43 -0.014 -1.478 -7.288 1.00 0.00 C ATOM 639 O GLU A 43 0.490 -2.535 -6.911 1.00 0.00 O ATOM 640 CB GLU A 43 1.525 0.072 -8.510 1.00 0.00 C ATOM 641 CG GLU A 43 2.436 0.093 -9.726 1.00 0.00 C ATOM 642 CD GLU A 43 3.200 -1.205 -9.905 1.00 0.00 C ATOM 643 OE1 GLU A 43 2.739 -2.241 -9.381 1.00 0.00 O ATOM 644 OE2 GLU A 43 4.257 -1.185 -10.569 1.00 0.00 O ATOM 0 H GLU A 43 -0.609 0.757 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 43 0.613 -1.699 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.149 1.079 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.109 -0.211 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.840 0.286 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.144 0.917 -9.631 1.00 0.00 H new ATOM 651 N TRP A 44 -0.881 -0.788 -6.556 1.00 0.00 N ATOM 652 CA TRP A 44 -1.301 -1.245 -5.236 1.00 0.00 C ATOM 653 C TRP A 44 -2.331 -2.364 -5.350 1.00 0.00 C ATOM 654 O TRP A 44 -2.135 -3.456 -4.818 1.00 0.00 O ATOM 655 CB TRP A 44 -1.881 -0.081 -4.431 1.00 0.00 C ATOM 656 CG TRP A 44 -1.742 -0.257 -2.949 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.750 -0.267 -2.027 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.526 -0.446 -2.218 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.233 -0.451 -0.768 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.871 -0.565 -0.858 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.821 -0.530 -2.581 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.082 -0.760 0.138 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.766 -0.724 -1.592 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.394 -0.838 -0.246 1.00 0.00 C ATOM 0 H TRP A 44 -1.307 0.090 -6.854 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.425 -1.634 -4.718 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.382 0.841 -4.729 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.936 0.033 -4.679 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.799 -0.148 -2.255 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.776 -0.496 0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.118 -0.445 -3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.203 -0.847 1.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.810 -0.789 -1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.157 -0.990 0.503 1.00 0.00 H new ATOM 675 N GLU A 45 -3.428 -2.084 -6.046 1.00 0.00 N ATOM 676 CA GLU A 45 -4.489 -3.068 -6.227 1.00 0.00 C ATOM 677 C GLU A 45 -3.914 -4.414 -6.660 1.00 0.00 C ATOM 678 O GLU A 45 -4.326 -5.464 -6.167 1.00 0.00 O ATOM 679 CB GLU A 45 -5.500 -2.576 -7.265 1.00 0.00 C ATOM 680 CG GLU A 45 -6.491 -1.563 -6.717 1.00 0.00 C ATOM 681 CD GLU A 45 -7.766 -1.494 -7.535 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.605 -2.410 -7.406 1.00 0.00 O ATOM 683 OE2 GLU A 45 -7.925 -0.522 -8.304 1.00 0.00 O ATOM 0 H GLU A 45 -3.605 -1.185 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.995 -3.199 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.962 -2.129 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.048 -3.431 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.738 -1.822 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.024 -0.578 -6.695 1.00 0.00 H new ATOM 690 N SER A 46 -2.960 -4.374 -7.585 1.00 0.00 N ATOM 691 CA SER A 46 -2.332 -5.589 -8.087 1.00 0.00 C ATOM 692 C SER A 46 -1.487 -6.252 -7.003 1.00 0.00 C ATOM 693 O SER A 46 -1.234 -7.456 -7.046 1.00 0.00 O ATOM 694 CB SER A 46 -1.462 -5.273 -9.305 1.00 0.00 C ATOM 695 OG SER A 46 -2.259 -4.977 -10.439 1.00 0.00 O ATOM 0 H SER A 46 -2.606 -3.513 -8.001 1.00 0.00 H new ATOM 0 HA SER A 46 -3.121 -6.281 -8.382 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.813 -4.426 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.815 -6.122 -9.523 1.00 0.00 H new ATOM 0 HG SER A 46 -1.679 -4.777 -11.203 1.00 0.00 H new ATOM 701 N PHE A 47 -1.053 -5.457 -6.031 1.00 0.00 N ATOM 702 CA PHE A 47 -0.235 -5.964 -4.935 1.00 0.00 C ATOM 703 C PHE A 47 -1.098 -6.676 -3.898 1.00 0.00 C ATOM 704 O PHE A 47 -0.864 -7.839 -3.572 1.00 0.00 O ATOM 705 CB PHE A 47 0.537 -4.821 -4.275 1.00 0.00 C ATOM 706 CG PHE A 47 0.869 -5.076 -2.833 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.171 -6.354 -2.393 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.879 -4.036 -1.916 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.477 -6.592 -1.066 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.184 -4.268 -0.588 1.00 0.00 C ATOM 711 CZ PHE A 47 1.483 -5.548 -0.163 1.00 0.00 C ATOM 0 H PHE A 47 -1.254 -4.458 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 47 0.475 -6.682 -5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.461 -4.651 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.051 -3.906 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.167 -7.175 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.646 -3.033 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.711 -7.593 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.189 -3.450 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.721 -5.732 0.874 1.00 0.00 H new ATOM 721 N ALA A 48 -2.097 -5.967 -3.381 1.00 0.00 N ATOM 722 CA ALA A 48 -2.996 -6.530 -2.382 1.00 0.00 C ATOM 723 C ALA A 48 -3.478 -7.917 -2.795 1.00 0.00 C ATOM 724 O ALA A 48 -3.922 -8.704 -1.960 1.00 0.00 O ATOM 725 CB ALA A 48 -4.181 -5.603 -2.156 1.00 0.00 C ATOM 0 H ALA A 48 -2.303 -5.002 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.443 -6.630 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.844 -6.036 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.824 -4.634 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.725 -5.474 -3.091 1.00 0.00 H new ATOM 731 N GLU A 49 -3.389 -8.208 -4.090 1.00 0.00 N ATOM 732 CA GLU A 49 -3.818 -9.499 -4.613 1.00 0.00 C ATOM 733 C GLU A 49 -3.073 -10.639 -3.925 1.00 0.00 C ATOM 734 O GLU A 49 -3.685 -11.511 -3.308 1.00 0.00 O ATOM 735 CB GLU A 49 -3.588 -9.564 -6.124 1.00 0.00 C ATOM 736 CG GLU A 49 -4.489 -8.632 -6.917 1.00 0.00 C ATOM 737 CD GLU A 49 -4.189 -8.655 -8.403 1.00 0.00 C ATOM 738 OE1 GLU A 49 -3.004 -8.516 -8.771 1.00 0.00 O ATOM 739 OE2 GLU A 49 -5.139 -8.812 -9.199 1.00 0.00 O ATOM 0 H GLU A 49 -3.024 -7.567 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.883 -9.609 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.548 -9.317 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.748 -10.587 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.529 -8.914 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.373 -7.615 -6.542 1.00 0.00 H new ATOM 746 N TRP A 50 -1.750 -10.626 -4.037 1.00 0.00 N ATOM 747 CA TRP A 50 -0.920 -11.659 -3.426 1.00 0.00 C ATOM 748 C TRP A 50 -0.519 -11.268 -2.009 1.00 0.00 C ATOM 749 O TRP A 50 -0.137 -12.117 -1.205 1.00 0.00 O ATOM 750 CB TRP A 50 0.328 -11.906 -4.274 1.00 0.00 C ATOM 751 CG TRP A 50 1.040 -10.647 -4.666 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.015 -10.037 -5.888 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.882 -9.844 -3.832 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.791 -8.904 -5.864 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.334 -8.763 -4.614 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.298 -9.932 -2.501 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.180 -7.780 -4.107 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.138 -8.956 -2.000 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.571 -7.891 -2.801 1.00 0.00 C ATOM 0 H TRP A 50 -1.228 -9.912 -4.545 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.504 -12.578 -3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.015 -12.545 -3.719 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.044 -12.450 -5.175 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.466 -10.393 -6.747 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.939 -8.270 -6.649 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.969 -10.748 -1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.516 -6.959 -4.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.467 -9.015 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.226 -7.143 -2.379 1.00 0.00 H new ATOM 770 N GLY A 51 -0.607 -9.975 -1.709 1.00 0.00 N ATOM 771 CA GLY A 51 -0.249 -9.495 -0.387 1.00 0.00 C ATOM 772 C GLY A 51 -0.648 -10.462 0.710 1.00 0.00 C ATOM 773 O GLY A 51 0.204 -11.128 1.298 1.00 0.00 O ATOM 0 H GLY A 51 -0.920 -9.252 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.827 -9.326 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.730 -8.533 -0.211 1.00 0.00 H new ATOM 777 N GLU A 52 -1.946 -10.538 0.986 1.00 0.00 N ATOM 778 CA GLU A 52 -2.454 -11.430 2.022 1.00 0.00 C ATOM 779 C GLU A 52 -1.905 -12.842 1.842 1.00 0.00 C ATOM 780 O GLU A 52 -1.766 -13.594 2.807 1.00 0.00 O ATOM 781 CB GLU A 52 -3.984 -11.459 1.995 1.00 0.00 C ATOM 782 CG GLU A 52 -4.560 -11.981 0.689 1.00 0.00 C ATOM 783 CD GLU A 52 -6.041 -12.290 0.787 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.476 -12.773 1.853 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.765 -12.049 -0.202 1.00 0.00 O ATOM 0 H GLU A 52 -2.664 -9.994 0.508 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.121 -11.050 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.342 -12.082 2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.361 -10.452 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.398 -11.242 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.023 -12.883 0.394 1.00 0.00 H new ATOM 792 N ASP A 53 -1.594 -13.196 0.600 1.00 0.00 N ATOM 793 CA ASP A 53 -1.059 -14.517 0.292 1.00 0.00 C ATOM 794 C ASP A 53 0.273 -14.742 1.000 1.00 0.00 C ATOM 795 O ASP A 53 0.552 -15.839 1.486 1.00 0.00 O ATOM 796 CB ASP A 53 -0.882 -14.680 -1.219 1.00 0.00 C ATOM 797 CG ASP A 53 -1.045 -16.118 -1.669 1.00 0.00 C ATOM 798 OD1 ASP A 53 -1.879 -16.834 -1.076 1.00 0.00 O ATOM 799 OD2 ASP A 53 -0.339 -16.528 -2.614 1.00 0.00 O ATOM 0 H ASP A 53 -1.703 -12.586 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.770 -15.262 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.610 -14.056 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.107 -14.322 -1.507 1.00 0.00 H new ATOM 804 N LEU A 54 1.093 -13.698 1.054 1.00 0.00 N ATOM 805 CA LEU A 54 2.397 -13.782 1.702 1.00 0.00 C ATOM 806 C LEU A 54 2.287 -13.466 3.190 1.00 0.00 C ATOM 807 O LEU A 54 3.281 -13.147 3.841 1.00 0.00 O ATOM 808 CB LEU A 54 3.382 -12.819 1.036 1.00 0.00 C ATOM 809 CG LEU A 54 3.472 -12.899 -0.488 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.246 -11.711 -1.040 1.00 0.00 C ATOM 811 CD2 LEU A 54 4.122 -14.207 -0.917 1.00 0.00 C ATOM 0 H LEU A 54 0.878 -12.783 0.657 1.00 0.00 H new ATOM 0 HA LEU A 54 2.765 -14.802 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.106 -11.801 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.374 -13.003 1.449 1.00 0.00 H new ATOM 0 HG LEU A 54 2.461 -12.869 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.300 -11.785 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.739 -10.786 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.254 -11.710 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.177 -14.246 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.127 -14.268 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.527 -15.045 -0.554 1.00 0.00 H new ATOM 823 N GLU A 55 1.072 -13.560 3.721 1.00 0.00 N ATOM 824 CA GLU A 55 0.834 -13.286 5.133 1.00 0.00 C ATOM 825 C GLU A 55 1.145 -11.829 5.465 1.00 0.00 C ATOM 826 O GLU A 55 1.937 -11.540 6.362 1.00 0.00 O ATOM 827 CB GLU A 55 1.684 -14.212 6.006 1.00 0.00 C ATOM 828 CG GLU A 55 1.235 -14.261 7.457 1.00 0.00 C ATOM 829 CD GLU A 55 -0.249 -14.535 7.601 1.00 0.00 C ATOM 830 OE1 GLU A 55 -0.678 -15.664 7.281 1.00 0.00 O ATOM 831 OE2 GLU A 55 -0.982 -13.621 8.033 1.00 0.00 O ATOM 0 H GLU A 55 0.238 -13.823 3.195 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.220 -13.471 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.653 -15.219 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.722 -13.883 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.796 -15.035 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.474 -13.313 7.939 1.00 0.00 H new ATOM 838 N VAL A 56 0.515 -10.915 4.734 1.00 0.00 N ATOM 839 CA VAL A 56 0.723 -9.488 4.949 1.00 0.00 C ATOM 840 C VAL A 56 -0.522 -8.689 4.582 1.00 0.00 C ATOM 841 O VAL A 56 -1.100 -8.878 3.512 1.00 0.00 O ATOM 842 CB VAL A 56 1.916 -8.964 4.128 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.467 -8.559 2.732 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.583 -7.798 4.842 1.00 0.00 C ATOM 0 H VAL A 56 -0.144 -11.137 3.988 1.00 0.00 H new ATOM 0 HA VAL A 56 0.936 -9.356 6.010 1.00 0.00 H new ATOM 0 HB VAL A 56 2.647 -9.766 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.323 -8.191 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.040 -9.423 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.716 -7.772 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.424 -7.440 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.862 -6.991 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.942 -8.126 5.818 1.00 0.00 H new ATOM 854 N ASN A 57 -0.931 -7.795 5.477 1.00 0.00 N ATOM 855 CA ASN A 57 -2.109 -6.967 5.247 1.00 0.00 C ATOM 856 C ASN A 57 -1.743 -5.704 4.472 1.00 0.00 C ATOM 857 O ASN A 57 -0.635 -5.183 4.602 1.00 0.00 O ATOM 858 CB ASN A 57 -2.761 -6.590 6.578 1.00 0.00 C ATOM 859 CG ASN A 57 -3.118 -7.806 7.411 1.00 0.00 C ATOM 860 OD1 ASN A 57 -4.165 -8.422 7.213 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.247 -8.156 8.350 1.00 0.00 N ATOM 0 H ASN A 57 -0.464 -7.626 6.368 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.818 -7.544 4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.083 -5.952 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.662 -6.007 6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.433 -8.965 8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.391 -7.616 8.479 1.00 0.00 H new ATOM 868 N ILE A 58 -2.681 -5.218 3.667 1.00 0.00 N ATOM 869 CA ILE A 58 -2.459 -4.016 2.873 1.00 0.00 C ATOM 870 C ILE A 58 -3.590 -3.012 3.065 1.00 0.00 C ATOM 871 O ILE A 58 -4.766 -3.356 2.947 1.00 0.00 O ATOM 872 CB ILE A 58 -2.331 -4.347 1.374 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.189 -5.340 1.144 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.106 -3.077 0.568 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.591 -6.783 1.352 1.00 0.00 C ATOM 0 H ILE A 58 -3.603 -5.638 3.547 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.524 -3.577 3.222 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.260 -4.807 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.813 -5.219 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.368 -5.099 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.018 -3.328 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.949 -2.401 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.190 -2.591 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.732 -7.430 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.940 -6.920 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.391 -7.041 0.659 1.00 0.00 H new ATOM 887 N ALA A 59 -3.226 -1.769 3.361 1.00 0.00 N ATOM 888 CA ALA A 59 -4.210 -0.713 3.567 1.00 0.00 C ATOM 889 C ALA A 59 -3.792 0.572 2.861 1.00 0.00 C ATOM 890 O ALA A 59 -2.682 0.672 2.337 1.00 0.00 O ATOM 891 CB ALA A 59 -4.411 -0.461 5.054 1.00 0.00 C ATOM 0 H ALA A 59 -2.257 -1.468 3.464 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.155 -1.042 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.148 0.330 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.764 -1.374 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.465 -0.158 5.503 1.00 0.00 H new ATOM 897 N LYS A 60 -4.686 1.555 2.852 1.00 0.00 N ATOM 898 CA LYS A 60 -4.410 2.835 2.212 1.00 0.00 C ATOM 899 C LYS A 60 -4.870 3.993 3.091 1.00 0.00 C ATOM 900 O LYS A 60 -6.001 4.005 3.578 1.00 0.00 O ATOM 901 CB LYS A 60 -5.105 2.908 0.850 1.00 0.00 C ATOM 902 CG LYS A 60 -6.609 3.099 0.943 1.00 0.00 C ATOM 903 CD LYS A 60 -7.316 2.573 -0.294 1.00 0.00 C ATOM 904 CE LYS A 60 -8.785 2.967 -0.307 1.00 0.00 C ATOM 905 NZ LYS A 60 -8.978 4.376 -0.749 1.00 0.00 N ATOM 0 H LYS A 60 -5.609 1.489 3.281 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.333 2.916 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.678 3.731 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.897 1.993 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.988 2.584 1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.835 4.158 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.826 2.961 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.229 1.487 -0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.334 2.300 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.204 2.839 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.992 4.606 -0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.475 5.015 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.601 4.493 -1.711 1.00 0.00 H new ATOM 919 N VAL A 61 -3.987 4.967 3.289 1.00 0.00 N ATOM 920 CA VAL A 61 -4.304 6.131 4.108 1.00 0.00 C ATOM 921 C VAL A 61 -4.493 7.374 3.245 1.00 0.00 C ATOM 922 O VAL A 61 -3.925 7.481 2.158 1.00 0.00 O ATOM 923 CB VAL A 61 -3.200 6.404 5.147 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.274 7.841 5.640 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.309 5.427 6.307 1.00 0.00 C ATOM 0 H VAL A 61 -3.047 4.973 2.893 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.235 5.908 4.629 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.231 6.259 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.486 8.015 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.143 8.522 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.245 8.018 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.522 5.634 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.282 5.538 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.202 4.408 5.936 1.00 0.00 H new ATOM 935 N ASP A 62 -5.294 8.313 3.738 1.00 0.00 N ATOM 936 CA ASP A 62 -5.557 9.551 3.013 1.00 0.00 C ATOM 937 C ASP A 62 -4.833 10.725 3.663 1.00 0.00 C ATOM 938 O ASP A 62 -4.760 10.823 4.888 1.00 0.00 O ATOM 939 CB ASP A 62 -7.061 9.827 2.963 1.00 0.00 C ATOM 940 CG ASP A 62 -7.471 10.569 1.706 1.00 0.00 C ATOM 941 OD1 ASP A 62 -6.746 11.503 1.304 1.00 0.00 O ATOM 942 OD2 ASP A 62 -8.518 10.215 1.124 1.00 0.00 O ATOM 0 H ASP A 62 -5.772 8.240 4.636 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.183 9.435 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.603 8.883 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.350 10.411 3.837 1.00 0.00 H new ATOM 947 N VAL A 63 -4.297 11.616 2.834 1.00 0.00 N ATOM 948 CA VAL A 63 -3.578 12.784 3.327 1.00 0.00 C ATOM 949 C VAL A 63 -4.488 14.006 3.382 1.00 0.00 C ATOM 950 O VAL A 63 -4.234 14.950 4.132 1.00 0.00 O ATOM 951 CB VAL A 63 -2.357 13.106 2.445 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.352 11.965 2.488 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.793 13.390 1.016 1.00 0.00 C ATOM 0 H VAL A 63 -4.348 11.550 1.817 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.236 12.543 4.333 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.872 14.000 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.496 12.210 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.017 11.814 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.822 11.052 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.918 13.616 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.302 12.516 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.472 14.243 1.005 1.00 0.00 H new ATOM 963 N THR A 64 -5.550 13.983 2.584 1.00 0.00 N ATOM 964 CA THR A 64 -6.498 15.089 2.541 1.00 0.00 C ATOM 965 C THR A 64 -7.723 14.797 3.401 1.00 0.00 C ATOM 966 O THR A 64 -8.283 15.698 4.023 1.00 0.00 O ATOM 967 CB THR A 64 -6.955 15.381 1.099 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.240 16.014 1.111 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.024 14.099 0.283 1.00 0.00 C ATOM 0 H THR A 64 -5.776 13.210 1.958 1.00 0.00 H new ATOM 0 HA THR A 64 -5.981 15.964 2.935 1.00 0.00 H new ATOM 0 HB THR A 64 -6.226 16.048 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.523 16.198 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.349 14.330 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.038 13.634 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.734 13.412 0.744 1.00 0.00 H new ATOM 977 N GLU A 65 -8.132 13.533 3.431 1.00 0.00 N ATOM 978 CA GLU A 65 -9.291 13.124 4.215 1.00 0.00 C ATOM 979 C GLU A 65 -8.910 12.908 5.677 1.00 0.00 C ATOM 980 O GLU A 65 -9.713 13.144 6.579 1.00 0.00 O ATOM 981 CB GLU A 65 -9.897 11.842 3.640 1.00 0.00 C ATOM 982 CG GLU A 65 -10.825 12.083 2.462 1.00 0.00 C ATOM 983 CD GLU A 65 -12.172 12.638 2.883 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.692 12.202 3.931 1.00 0.00 O ATOM 985 OE2 GLU A 65 -12.705 13.510 2.164 1.00 0.00 O ATOM 0 H GLU A 65 -7.678 12.775 2.922 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.032 13.922 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.091 11.178 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.448 11.326 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.351 12.777 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.974 11.147 1.925 1.00 0.00 H new ATOM 992 N GLN A 66 -7.680 12.458 5.901 1.00 0.00 N ATOM 993 CA GLN A 66 -7.192 12.209 7.253 1.00 0.00 C ATOM 994 C GLN A 66 -6.038 13.145 7.596 1.00 0.00 C ATOM 995 O GLN A 66 -4.864 12.788 7.486 1.00 0.00 O ATOM 996 CB GLN A 66 -6.745 10.754 7.397 1.00 0.00 C ATOM 997 CG GLN A 66 -7.832 9.747 7.056 1.00 0.00 C ATOM 998 CD GLN A 66 -9.009 9.813 8.009 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.891 10.319 9.126 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.154 9.302 7.573 1.00 0.00 N ATOM 0 H GLN A 66 -7.003 12.258 5.165 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.009 12.400 7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.885 10.581 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.412 10.584 8.421 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.182 9.926 6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.410 8.742 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.207 8.892 6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.980 9.319 8.171 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.375 14.371 8.022 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.380 15.383 8.391 1.00 0.00 C ATOM 1011 C PRO A 67 -4.645 15.030 9.679 1.00 0.00 C ATOM 1012 O PRO A 67 -3.614 15.621 9.998 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.217 16.650 8.582 1.00 0.00 C ATOM 1014 CG PRO A 67 -7.579 16.156 8.928 1.00 0.00 C ATOM 1015 CD PRO A 67 -7.754 14.864 8.178 1.00 0.00 C ATOM 0 HA PRO A 67 -4.599 15.482 7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.810 17.277 9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.234 17.254 7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.676 16.000 10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.341 16.880 8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.373 14.158 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.236 15.021 7.213 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.182 14.063 10.416 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.563 13.649 11.662 1.00 0.00 C ATOM 1025 C GLY A 68 -3.484 12.604 11.454 1.00 0.00 C ATOM 1026 O GLY A 68 -2.425 12.660 12.080 1.00 0.00 O ATOM 0 H GLY A 68 -6.035 13.559 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.131 14.519 12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.327 13.250 12.329 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.753 11.646 10.573 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.798 10.582 10.285 1.00 0.00 C ATOM 1032 C LEU A 69 -1.561 11.135 9.585 1.00 0.00 C ATOM 1033 O LEU A 69 -0.436 10.729 9.877 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.451 9.505 9.417 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.210 8.409 10.165 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.086 7.617 9.206 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.239 7.486 10.888 1.00 0.00 C ATOM 0 H LEU A 69 -4.624 11.585 10.046 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.489 10.139 11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.141 9.991 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.676 9.034 8.813 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.853 8.881 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.619 6.841 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.805 8.286 8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.462 7.156 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.797 6.712 11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.570 7.022 10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.654 8.063 11.604 1.00 0.00 H new ATOM 1049 N SER A 70 -1.777 12.066 8.661 1.00 0.00 N ATOM 1050 CA SER A 70 -0.680 12.674 7.918 1.00 0.00 C ATOM 1051 C SER A 70 0.451 13.084 8.857 1.00 0.00 C ATOM 1052 O SER A 70 1.619 12.787 8.607 1.00 0.00 O ATOM 1053 CB SER A 70 -1.177 13.893 7.139 1.00 0.00 C ATOM 1054 OG SER A 70 -2.325 13.574 6.371 1.00 0.00 O ATOM 0 H SER A 70 -2.702 12.415 8.409 1.00 0.00 H new ATOM 0 HA SER A 70 -0.296 11.934 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.412 14.700 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.386 14.257 6.483 1.00 0.00 H new ATOM 0 HG SER A 70 -3.102 13.492 6.963 1.00 0.00 H new ATOM 1060 N GLY A 71 0.095 13.769 9.939 1.00 0.00 N ATOM 1061 CA GLY A 71 1.090 14.209 10.900 1.00 0.00 C ATOM 1062 C GLY A 71 1.599 13.075 11.767 1.00 0.00 C ATOM 1063 O GLY A 71 2.797 12.977 12.033 1.00 0.00 O ATOM 0 H GLY A 71 -0.865 14.027 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.928 14.661 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.660 14.983 11.535 1.00 0.00 H new ATOM 1067 N ARG A 72 0.687 12.216 12.212 1.00 0.00 N ATOM 1068 CA ARG A 72 1.051 11.085 13.057 1.00 0.00 C ATOM 1069 C ARG A 72 2.266 10.354 12.494 1.00 0.00 C ATOM 1070 O ARG A 72 2.959 9.634 13.214 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.127 10.116 13.183 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.154 9.359 14.501 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.570 8.955 14.881 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.423 10.114 15.127 1.00 0.00 N ATOM 1075 CZ ARG A 72 -3.748 10.083 15.042 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -4.369 8.956 14.721 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -4.456 11.180 15.280 1.00 0.00 N ATOM 0 H ARG A 72 -0.309 12.282 12.001 1.00 0.00 H new ATOM 0 HA ARG A 72 1.305 11.469 14.045 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.058 10.673 13.074 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.086 9.399 12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.471 8.470 14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.272 9.981 15.288 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.001 8.351 14.083 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.541 8.330 15.774 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.977 10.996 15.378 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.829 8.110 14.539 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.387 8.935 14.656 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.983 12.049 15.529 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.474 11.155 15.214 1.00 0.00 H new ATOM 1091 N PHE A 73 2.520 10.544 11.204 1.00 0.00 N ATOM 1092 CA PHE A 73 3.651 9.902 10.544 1.00 0.00 C ATOM 1093 C PHE A 73 4.659 10.941 10.061 1.00 0.00 C ATOM 1094 O PHE A 73 5.828 10.627 9.835 1.00 0.00 O ATOM 1095 CB PHE A 73 3.167 9.057 9.364 1.00 0.00 C ATOM 1096 CG PHE A 73 2.511 7.770 9.778 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.176 7.746 10.148 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.230 6.586 9.796 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.571 6.563 10.529 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.629 5.400 10.177 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.298 5.389 10.543 1.00 0.00 C ATOM 0 H PHE A 73 1.958 11.138 10.594 1.00 0.00 H new ATOM 0 HA PHE A 73 4.143 9.253 11.269 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.462 9.642 8.774 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.015 8.832 8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.602 8.661 10.139 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.271 6.589 9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.470 6.557 10.816 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.200 4.484 10.188 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.826 4.464 10.840 1.00 0.00 H new ATOM 1111 N ILE A 74 4.198 12.177 9.904 1.00 0.00 N ATOM 1112 CA ILE A 74 5.059 13.261 9.448 1.00 0.00 C ATOM 1113 C ILE A 74 5.473 13.059 7.994 1.00 0.00 C ATOM 1114 O ILE A 74 6.649 13.185 7.651 1.00 0.00 O ATOM 1115 CB ILE A 74 6.323 13.380 10.319 1.00 0.00 C ATOM 1116 CG1 ILE A 74 5.953 13.326 11.803 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.067 14.668 9.999 1.00 0.00 C ATOM 1118 CD1 ILE A 74 5.931 11.924 12.370 1.00 0.00 C ATOM 0 H ILE A 74 3.233 12.453 10.086 1.00 0.00 H new ATOM 0 HA ILE A 74 4.481 14.181 9.534 1.00 0.00 H new ATOM 0 HB ILE A 74 6.980 12.539 10.097 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.665 13.927 12.369 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.972 13.780 11.941 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.958 14.738 10.623 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.358 14.669 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.418 15.521 10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.661 11.963 13.425 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.198 11.325 11.830 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.918 11.473 12.264 1.00 0.00 H new ATOM 1130 N ILE A 75 4.500 12.748 7.145 1.00 0.00 N ATOM 1131 CA ILE A 75 4.764 12.533 5.728 1.00 0.00 C ATOM 1132 C ILE A 75 5.342 13.786 5.079 1.00 0.00 C ATOM 1133 O ILE A 75 4.746 14.860 5.141 1.00 0.00 O ATOM 1134 CB ILE A 75 3.486 12.121 4.973 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.908 10.835 5.569 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.780 11.939 3.492 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.864 9.663 5.519 1.00 0.00 C ATOM 0 H ILE A 75 3.522 12.639 7.413 1.00 0.00 H new ATOM 0 HA ILE A 75 5.492 11.724 5.663 1.00 0.00 H new ATOM 0 HB ILE A 75 2.746 12.914 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.626 11.019 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.996 10.573 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.867 11.648 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.151 12.876 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.534 11.162 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.388 8.786 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.127 9.452 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.766 9.905 6.080 1.00 0.00 H new ATOM 1149 N ASN A 76 6.506 13.639 4.455 1.00 0.00 N ATOM 1150 CA ASN A 76 7.165 14.760 3.793 1.00 0.00 C ATOM 1151 C ASN A 76 6.767 14.833 2.323 1.00 0.00 C ATOM 1152 O ASN A 76 6.525 15.914 1.788 1.00 0.00 O ATOM 1153 CB ASN A 76 8.685 14.630 3.916 1.00 0.00 C ATOM 1154 CG ASN A 76 9.131 14.393 5.346 1.00 0.00 C ATOM 1155 OD1 ASN A 76 8.841 15.189 6.239 1.00 0.00 O ATOM 1156 ND2 ASN A 76 9.842 13.293 5.569 1.00 0.00 N ATOM 0 H ASN A 76 7.012 12.756 4.394 1.00 0.00 H new ATOM 0 HA ASN A 76 6.845 15.679 4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.028 13.806 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.156 15.537 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.171 13.080 6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.059 12.661 4.798 1.00 0.00 H new ATOM 1163 N ALA A 77 6.700 13.674 1.675 1.00 0.00 N ATOM 1164 CA ALA A 77 6.329 13.606 0.267 1.00 0.00 C ATOM 1165 C ALA A 77 5.349 12.466 0.012 1.00 0.00 C ATOM 1166 O ALA A 77 5.136 11.612 0.874 1.00 0.00 O ATOM 1167 CB ALA A 77 7.569 13.443 -0.599 1.00 0.00 C ATOM 0 H ALA A 77 6.898 12.770 2.103 1.00 0.00 H new ATOM 0 HA ALA A 77 5.835 14.541 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.276 13.394 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.233 14.294 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.087 12.525 -0.323 1.00 0.00 H new ATOM 1173 N LEU A 78 4.755 12.457 -1.176 1.00 0.00 N ATOM 1174 CA LEU A 78 3.796 11.421 -1.544 1.00 0.00 C ATOM 1175 C LEU A 78 3.929 11.056 -3.020 1.00 0.00 C ATOM 1176 O LEU A 78 4.328 11.871 -3.852 1.00 0.00 O ATOM 1177 CB LEU A 78 2.370 11.890 -1.250 1.00 0.00 C ATOM 1178 CG LEU A 78 2.069 12.247 0.206 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.999 13.326 0.280 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.636 11.011 0.981 1.00 0.00 C ATOM 0 H LEU A 78 4.920 13.155 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 78 4.010 10.534 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.161 12.763 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.679 11.106 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 78 2.981 12.635 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.797 13.568 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.347 14.219 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.085 12.965 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.426 11.285 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.738 10.593 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.434 10.269 0.957 1.00 0.00 H new ATOM 1192 N PRO A 79 3.586 9.803 -3.353 1.00 0.00 N ATOM 1193 CA PRO A 79 3.111 8.825 -2.370 1.00 0.00 C ATOM 1194 C PRO A 79 4.215 8.374 -1.420 1.00 0.00 C ATOM 1195 O PRO A 79 5.393 8.664 -1.637 1.00 0.00 O ATOM 1196 CB PRO A 79 2.639 7.653 -3.235 1.00 0.00 C ATOM 1197 CG PRO A 79 3.425 7.772 -4.495 1.00 0.00 C ATOM 1198 CD PRO A 79 3.636 9.245 -4.714 1.00 0.00 C ATOM 0 HA PRO A 79 2.334 9.239 -1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.823 6.698 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.568 7.711 -3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.378 7.249 -4.411 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.889 7.326 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.593 9.447 -5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 79 2.862 9.671 -5.352 1.00 0.00 H new ATOM 1206 N THR A 80 3.829 7.663 -0.365 1.00 0.00 N ATOM 1207 CA THR A 80 4.787 7.172 0.618 1.00 0.00 C ATOM 1208 C THR A 80 4.278 5.906 1.297 1.00 0.00 C ATOM 1209 O THR A 80 3.215 5.907 1.919 1.00 0.00 O ATOM 1210 CB THR A 80 5.080 8.235 1.694 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.881 9.285 1.140 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.799 7.616 2.884 1.00 0.00 C ATOM 0 H THR A 80 2.859 7.414 -0.169 1.00 0.00 H new ATOM 0 HA THR A 80 5.707 6.947 0.079 1.00 0.00 H new ATOM 0 HB THR A 80 4.130 8.645 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.302 10.023 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.995 8.385 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.175 6.837 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.743 7.182 2.553 1.00 0.00 H new ATOM 1220 N ILE A 81 5.043 4.826 1.173 1.00 0.00 N ATOM 1221 CA ILE A 81 4.670 3.553 1.777 1.00 0.00 C ATOM 1222 C ILE A 81 5.357 3.361 3.124 1.00 0.00 C ATOM 1223 O ILE A 81 6.460 3.862 3.347 1.00 0.00 O ATOM 1224 CB ILE A 81 5.025 2.369 0.858 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.160 2.397 -0.404 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.848 1.052 1.599 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.833 1.782 -1.611 1.00 0.00 C ATOM 0 H ILE A 81 5.924 4.808 0.660 1.00 0.00 H new ATOM 0 HA ILE A 81 3.590 3.578 1.924 1.00 0.00 H new ATOM 0 HB ILE A 81 6.070 2.459 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.228 1.867 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.897 3.430 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.103 0.225 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.503 1.034 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.812 0.953 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.162 1.836 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.751 2.327 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.072 0.739 -1.403 1.00 0.00 H new ATOM 1239 N TYR A 82 4.700 2.630 4.018 1.00 0.00 N ATOM 1240 CA TYR A 82 5.248 2.372 5.345 1.00 0.00 C ATOM 1241 C TYR A 82 4.981 0.932 5.773 1.00 0.00 C ATOM 1242 O TYR A 82 3.839 0.472 5.771 1.00 0.00 O ATOM 1243 CB TYR A 82 4.645 3.339 6.365 1.00 0.00 C ATOM 1244 CG TYR A 82 5.432 4.621 6.523 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.552 4.676 7.343 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.055 5.777 5.850 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.272 5.845 7.490 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.770 6.950 5.990 1.00 0.00 C ATOM 1249 CZ TYR A 82 6.878 6.979 6.811 1.00 0.00 C ATOM 1250 OH TYR A 82 7.594 8.146 6.954 1.00 0.00 O ATOM 0 H TYR A 82 3.788 2.206 3.848 1.00 0.00 H new ATOM 0 HA TYR A 82 6.326 2.526 5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.626 3.583 6.064 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.581 2.840 7.332 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.865 3.789 7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.188 5.758 5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.139 5.871 8.133 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.463 7.840 5.460 1.00 0.00 H new ATOM 0 HH TYR A 82 7.185 8.850 6.408 1.00 0.00 H new ATOM 1260 N HIS A 83 6.045 0.224 6.140 1.00 0.00 N ATOM 1261 CA HIS A 83 5.928 -1.164 6.572 1.00 0.00 C ATOM 1262 C HIS A 83 5.821 -1.253 8.091 1.00 0.00 C ATOM 1263 O HIS A 83 6.778 -0.960 8.809 1.00 0.00 O ATOM 1264 CB HIS A 83 7.129 -1.975 6.085 1.00 0.00 C ATOM 1265 CG HIS A 83 7.041 -3.433 6.416 1.00 0.00 C ATOM 1266 ND1 HIS A 83 6.291 -4.420 5.873 1.00 0.00 N flip ATOM 1267 CD2 HIS A 83 7.784 -4.024 7.416 1.00 0.00 C flip ATOM 1268 CE1 HIS A 83 6.591 -5.578 6.548 1.00 0.00 C flip ATOM 1269 NE2 HIS A 83 7.495 -5.312 7.473 1.00 0.00 N flip ATOM 0 H HIS A 83 6.997 0.589 6.147 1.00 0.00 H new ATOM 0 HA HIS A 83 5.019 -1.579 6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.220 -1.861 5.005 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.037 -1.565 6.527 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.627 -4.322 5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.491 -3.514 8.053 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.158 -6.548 6.354 1.00 0.00 H new ATOM 1278 N CYS A 84 4.651 -1.657 8.574 1.00 0.00 N ATOM 1279 CA CYS A 84 4.419 -1.783 10.009 1.00 0.00 C ATOM 1280 C CYS A 84 4.471 -3.244 10.442 1.00 0.00 C ATOM 1281 O CYS A 84 3.610 -4.043 10.074 1.00 0.00 O ATOM 1282 CB CYS A 84 3.066 -1.175 10.382 1.00 0.00 C ATOM 1283 SG CYS A 84 2.795 -1.016 12.163 1.00 0.00 S ATOM 0 H CYS A 84 3.849 -1.903 7.994 1.00 0.00 H new ATOM 0 HA CYS A 84 5.209 -1.241 10.529 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.983 -0.190 9.923 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.273 -1.791 9.958 1.00 0.00 H new ATOM 0 HG CYS A 84 3.024 0.210 12.529 1.00 0.00 H new ATOM 1289 N LYS A 85 5.488 -3.588 11.225 1.00 0.00 N ATOM 1290 CA LYS A 85 5.654 -4.953 11.709 1.00 0.00 C ATOM 1291 C LYS A 85 5.649 -4.994 13.234 1.00 0.00 C ATOM 1292 O LYS A 85 6.571 -4.496 13.881 1.00 0.00 O ATOM 1293 CB LYS A 85 6.959 -5.549 11.176 1.00 0.00 C ATOM 1294 CG LYS A 85 7.266 -6.930 11.729 1.00 0.00 C ATOM 1295 CD LYS A 85 8.521 -7.515 11.101 1.00 0.00 C ATOM 1296 CE LYS A 85 8.892 -8.847 11.736 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.634 -8.664 13.014 1.00 0.00 N ATOM 0 H LYS A 85 6.210 -2.939 11.538 1.00 0.00 H new ATOM 0 HA LYS A 85 4.815 -5.546 11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.906 -5.606 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.782 -4.877 11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.393 -6.870 12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.422 -7.594 11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.364 -7.652 10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.347 -6.813 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.987 -9.426 11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.502 -9.423 11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.869 -9.594 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.510 -8.134 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.042 -8.136 13.687 1.00 0.00 H new ATOM 1311 N ASP A 86 4.607 -5.591 13.802 1.00 0.00 N ATOM 1312 CA ASP A 86 4.484 -5.699 15.251 1.00 0.00 C ATOM 1313 C ASP A 86 4.848 -4.381 15.927 1.00 0.00 C ATOM 1314 O ASP A 86 5.473 -4.366 16.986 1.00 0.00 O ATOM 1315 CB ASP A 86 5.381 -6.821 15.778 1.00 0.00 C ATOM 1316 CG ASP A 86 4.702 -8.176 15.730 1.00 0.00 C ATOM 1317 OD1 ASP A 86 3.454 -8.214 15.755 1.00 0.00 O ATOM 1318 OD2 ASP A 86 5.418 -9.197 15.668 1.00 0.00 O ATOM 0 H ASP A 86 3.835 -6.008 13.281 1.00 0.00 H new ATOM 0 HA ASP A 86 3.446 -5.933 15.486 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.298 -6.856 15.189 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.670 -6.599 16.805 1.00 0.00 H new ATOM 1323 N GLY A 87 4.451 -3.274 15.306 1.00 0.00 N ATOM 1324 CA GLY A 87 4.745 -1.966 15.862 1.00 0.00 C ATOM 1325 C GLY A 87 5.848 -1.250 15.108 1.00 0.00 C ATOM 1326 O GLY A 87 5.732 -0.064 14.804 1.00 0.00 O ATOM 0 H GLY A 87 3.931 -3.260 14.428 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.842 -1.356 15.844 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.035 -2.076 16.907 1.00 0.00 H new ATOM 1330 N GLU A 88 6.923 -1.973 14.807 1.00 0.00 N ATOM 1331 CA GLU A 88 8.052 -1.398 14.086 1.00 0.00 C ATOM 1332 C GLU A 88 7.578 -0.626 12.859 1.00 0.00 C ATOM 1333 O GLU A 88 6.417 -0.722 12.461 1.00 0.00 O ATOM 1334 CB GLU A 88 9.030 -2.497 13.665 1.00 0.00 C ATOM 1335 CG GLU A 88 9.699 -3.197 14.835 1.00 0.00 C ATOM 1336 CD GLU A 88 10.979 -3.906 14.437 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.961 -4.643 13.429 1.00 0.00 O ATOM 1338 OE2 GLU A 88 12.000 -3.722 15.133 1.00 0.00 O ATOM 0 H GLU A 88 7.035 -2.957 15.051 1.00 0.00 H new ATOM 0 HA GLU A 88 8.562 -0.705 14.755 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.497 -3.236 13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.798 -2.063 13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.920 -2.466 15.613 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.006 -3.920 15.265 1.00 0.00 H new ATOM 1345 N PHE A 89 8.485 0.141 12.262 1.00 0.00 N ATOM 1346 CA PHE A 89 8.160 0.931 11.080 1.00 0.00 C ATOM 1347 C PHE A 89 9.404 1.178 10.232 1.00 0.00 C ATOM 1348 O PHE A 89 10.428 1.642 10.733 1.00 0.00 O ATOM 1349 CB PHE A 89 7.535 2.267 11.490 1.00 0.00 C ATOM 1350 CG PHE A 89 6.041 2.211 11.632 1.00 0.00 C ATOM 1351 CD1 PHE A 89 5.228 2.126 10.513 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.449 2.245 12.885 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.853 2.074 10.641 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.075 2.193 13.018 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.275 2.108 11.895 1.00 0.00 C ATOM 0 H PHE A 89 9.451 0.232 12.578 1.00 0.00 H new ATOM 0 HA PHE A 89 7.441 0.369 10.484 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.970 2.587 12.437 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.793 3.023 10.748 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.674 2.100 9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.069 2.313 13.767 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.231 2.007 9.761 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.626 2.219 14.000 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.201 2.068 11.997 1.00 0.00 H new ATOM 1365 N ARG A 90 9.307 0.862 8.945 1.00 0.00 N ATOM 1366 CA ARG A 90 10.424 1.047 8.026 1.00 0.00 C ATOM 1367 C ARG A 90 9.982 1.806 6.778 1.00 0.00 C ATOM 1368 O ARG A 90 9.105 1.353 6.043 1.00 0.00 O ATOM 1369 CB ARG A 90 11.016 -0.306 7.630 1.00 0.00 C ATOM 1370 CG ARG A 90 11.604 -1.080 8.800 1.00 0.00 C ATOM 1371 CD ARG A 90 13.091 -0.805 8.957 1.00 0.00 C ATOM 1372 NE ARG A 90 13.832 -2.005 9.336 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.605 -2.688 10.452 1.00 0.00 C ATOM 1374 NH1 ARG A 90 12.662 -2.291 11.295 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.321 -3.771 10.727 1.00 0.00 N ATOM 0 H ARG A 90 8.466 0.477 8.515 1.00 0.00 H new ATOM 0 HA ARG A 90 11.187 1.634 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.239 -0.909 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.793 -0.148 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.083 -0.806 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.444 -2.148 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.488 -0.414 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.239 -0.034 9.713 1.00 0.00 H new ATOM 0 HE ARG A 90 14.565 -2.337 8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.109 -1.459 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.489 -2.817 12.152 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.047 -4.080 10.081 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.145 -4.294 11.585 1.00 0.00 H new ATOM 1389 N ARG A 91 10.595 2.962 6.547 1.00 0.00 N ATOM 1390 CA ARG A 91 10.264 3.784 5.389 1.00 0.00 C ATOM 1391 C ARG A 91 10.574 3.045 4.091 1.00 0.00 C ATOM 1392 O ARG A 91 11.707 2.619 3.863 1.00 0.00 O ATOM 1393 CB ARG A 91 11.037 5.103 5.436 1.00 0.00 C ATOM 1394 CG ARG A 91 10.726 6.033 4.274 1.00 0.00 C ATOM 1395 CD ARG A 91 11.124 7.467 4.586 1.00 0.00 C ATOM 1396 NE ARG A 91 12.566 7.607 4.771 1.00 0.00 N ATOM 1397 CZ ARG A 91 13.442 7.565 3.774 1.00 0.00 C ATOM 1398 NH1 ARG A 91 13.026 7.389 2.528 1.00 0.00 N ATOM 1399 NH2 ARG A 91 14.739 7.700 4.023 1.00 0.00 N ATOM 0 H ARG A 91 11.323 3.351 7.146 1.00 0.00 H new ATOM 0 HA ARG A 91 9.195 3.996 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.809 5.615 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.106 4.888 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.254 5.693 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.661 5.991 4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.798 8.118 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.609 7.798 5.488 1.00 0.00 H new ATOM 0 HE ARG A 91 12.919 7.745 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.030 7.285 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.702 7.357 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.063 7.836 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.411 7.668 3.257 1.00 0.00 H new ATOM 1413 N TYR A 92 9.562 2.898 3.243 1.00 0.00 N ATOM 1414 CA TYR A 92 9.726 2.208 1.969 1.00 0.00 C ATOM 1415 C TYR A 92 10.675 2.975 1.053 1.00 0.00 C ATOM 1416 O TYR A 92 10.477 4.161 0.790 1.00 0.00 O ATOM 1417 CB TYR A 92 8.371 2.029 1.284 1.00 0.00 C ATOM 1418 CG TYR A 92 8.409 1.085 0.103 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.453 -0.291 0.290 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.400 1.569 -1.199 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.488 -1.157 -0.785 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.434 0.711 -2.281 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.479 -0.651 -2.069 1.00 0.00 C ATOM 1424 OH TYR A 92 8.513 -1.511 -3.143 1.00 0.00 O ATOM 0 H TYR A 92 8.619 3.248 3.415 1.00 0.00 H new ATOM 0 HA TYR A 92 10.157 1.227 2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.651 1.657 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.011 3.002 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.460 -0.690 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.366 2.635 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.522 -2.224 -0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.425 1.104 -3.287 1.00 0.00 H new ATOM 0 HH TYR A 92 9.161 -2.226 -2.969 1.00 0.00 H new ATOM 1434 N GLN A 93 11.705 2.287 0.570 1.00 0.00 N ATOM 1435 CA GLN A 93 12.685 2.903 -0.317 1.00 0.00 C ATOM 1436 C GLN A 93 12.809 2.119 -1.619 1.00 0.00 C ATOM 1437 O GLN A 93 13.790 1.408 -1.836 1.00 0.00 O ATOM 1438 CB GLN A 93 14.047 2.988 0.373 1.00 0.00 C ATOM 1439 CG GLN A 93 14.060 3.908 1.583 1.00 0.00 C ATOM 1440 CD GLN A 93 15.328 3.777 2.403 1.00 0.00 C ATOM 1441 OE1 GLN A 93 16.104 2.837 2.222 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.546 4.720 3.312 1.00 0.00 N ATOM 0 H GLN A 93 11.882 1.304 0.778 1.00 0.00 H new ATOM 0 HA GLN A 93 12.342 3.911 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.350 1.988 0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.788 3.337 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.952 4.940 1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.199 3.685 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.877 5.481 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.383 4.684 3.894 1.00 0.00 H new ATOM 1451 N GLY A 94 11.807 2.252 -2.483 1.00 0.00 N ATOM 1452 CA GLY A 94 11.824 1.550 -3.753 1.00 0.00 C ATOM 1453 C GLY A 94 11.053 2.284 -4.832 1.00 0.00 C ATOM 1454 O GLY A 94 10.483 3.351 -4.601 1.00 0.00 O ATOM 0 H GLY A 94 10.984 2.833 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.856 1.415 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.399 0.555 -3.620 1.00 0.00 H new ATOM 1458 N PRO A 95 11.028 1.708 -6.043 1.00 0.00 N ATOM 1459 CA PRO A 95 10.326 2.298 -7.186 1.00 0.00 C ATOM 1460 C PRO A 95 8.810 2.248 -7.024 1.00 0.00 C ATOM 1461 O PRO A 95 8.070 2.785 -7.848 1.00 0.00 O ATOM 1462 CB PRO A 95 10.767 1.424 -8.363 1.00 0.00 C ATOM 1463 CG PRO A 95 11.128 0.116 -7.749 1.00 0.00 C ATOM 1464 CD PRO A 95 11.685 0.436 -6.390 1.00 0.00 C ATOM 0 HA PRO A 95 10.564 3.355 -7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.966 1.311 -9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.616 1.864 -8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.255 -0.532 -7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.863 -0.411 -8.358 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.454 -0.346 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.770 0.538 -6.414 1.00 0.00 H new ATOM 1472 N ARG A 96 8.355 1.599 -5.956 1.00 0.00 N ATOM 1473 CA ARG A 96 6.928 1.479 -5.687 1.00 0.00 C ATOM 1474 C ARG A 96 6.231 0.690 -6.792 1.00 0.00 C ATOM 1475 O ARG A 96 5.224 1.134 -7.347 1.00 0.00 O ATOM 1476 CB ARG A 96 6.293 2.864 -5.556 1.00 0.00 C ATOM 1477 CG ARG A 96 6.922 3.722 -4.470 1.00 0.00 C ATOM 1478 CD ARG A 96 5.979 4.825 -4.015 1.00 0.00 C ATOM 1479 NE ARG A 96 6.680 5.879 -3.287 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.380 6.840 -3.880 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.471 6.879 -5.202 1.00 0.00 N ATOM 1482 NH2 ARG A 96 7.990 7.764 -3.149 1.00 0.00 N ATOM 0 H ARG A 96 8.954 1.149 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 96 6.805 0.941 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.375 3.384 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.230 2.749 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.189 3.096 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.846 4.163 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.479 5.255 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.203 4.399 -3.379 1.00 0.00 H new ATOM 0 HE ARG A 96 6.630 5.877 -2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.003 6.170 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.009 7.618 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.922 7.737 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.527 8.502 -3.604 1.00 0.00 H new ATOM 1496 N THR A 97 6.773 -0.482 -7.108 1.00 0.00 N ATOM 1497 CA THR A 97 6.205 -1.331 -8.147 1.00 0.00 C ATOM 1498 C THR A 97 5.770 -2.678 -7.580 1.00 0.00 C ATOM 1499 O THR A 97 6.305 -3.141 -6.573 1.00 0.00 O ATOM 1500 CB THR A 97 7.210 -1.569 -9.290 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.411 -2.151 -8.773 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.538 -0.265 -10.002 1.00 0.00 C ATOM 0 H THR A 97 7.605 -0.865 -6.659 1.00 0.00 H new ATOM 0 HA THR A 97 5.334 -0.807 -8.542 1.00 0.00 H new ATOM 0 HB THR A 97 6.756 -2.252 -10.007 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.044 -2.301 -9.506 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.249 -0.458 -10.805 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.626 0.161 -10.420 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.974 0.438 -9.292 1.00 0.00 H new ATOM 1510 N LYS A 98 4.796 -3.302 -8.233 1.00 0.00 N ATOM 1511 CA LYS A 98 4.289 -4.598 -7.795 1.00 0.00 C ATOM 1512 C LYS A 98 5.435 -5.533 -7.424 1.00 0.00 C ATOM 1513 O LYS A 98 5.629 -5.861 -6.253 1.00 0.00 O ATOM 1514 CB LYS A 98 3.435 -5.232 -8.895 1.00 0.00 C ATOM 1515 CG LYS A 98 2.326 -6.125 -8.366 1.00 0.00 C ATOM 1516 CD LYS A 98 1.860 -7.119 -9.416 1.00 0.00 C ATOM 1517 CE LYS A 98 2.643 -8.420 -9.338 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.023 -9.492 -10.166 1.00 0.00 N ATOM 0 H LYS A 98 4.341 -2.932 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 98 3.672 -4.439 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.995 -4.441 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.079 -5.817 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.680 -6.663 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.484 -5.510 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.798 -7.323 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.975 -6.683 -10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.666 -8.249 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.698 -8.749 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.587 -10.362 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.055 -9.674 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.993 -9.189 -11.161 1.00 0.00 H new ATOM 1532 N LYS A 99 6.195 -5.959 -8.428 1.00 0.00 N ATOM 1533 CA LYS A 99 7.324 -6.854 -8.208 1.00 0.00 C ATOM 1534 C LYS A 99 8.036 -6.521 -6.900 1.00 0.00 C ATOM 1535 O LYS A 99 8.029 -7.314 -5.959 1.00 0.00 O ATOM 1536 CB LYS A 99 8.310 -6.762 -9.375 1.00 0.00 C ATOM 1537 CG LYS A 99 9.618 -7.493 -9.126 1.00 0.00 C ATOM 1538 CD LYS A 99 10.778 -6.819 -9.839 1.00 0.00 C ATOM 1539 CE LYS A 99 11.450 -5.781 -8.954 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.551 -6.372 -8.144 1.00 0.00 N ATOM 0 H LYS A 99 6.049 -5.698 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 99 6.940 -7.872 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.840 -7.170 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.523 -5.712 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.818 -7.527 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.530 -8.525 -9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.508 -7.571 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.418 -6.343 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.847 -4.977 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.709 -5.336 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.893 -5.669 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.198 -7.208 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.332 -6.652 -8.771 1.00 0.00 H new ATOM 1554 N ASP A 100 8.647 -5.342 -6.848 1.00 0.00 N ATOM 1555 CA ASP A 100 9.361 -4.903 -5.655 1.00 0.00 C ATOM 1556 C ASP A 100 8.629 -5.344 -4.391 1.00 0.00 C ATOM 1557 O ASP A 100 9.162 -6.112 -3.590 1.00 0.00 O ATOM 1558 CB ASP A 100 9.521 -3.382 -5.662 1.00 0.00 C ATOM 1559 CG ASP A 100 10.689 -2.919 -4.814 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.577 -2.970 -3.571 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.716 -2.505 -5.392 1.00 0.00 O ATOM 0 H ASP A 100 8.662 -4.674 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 100 10.348 -5.365 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.662 -3.039 -6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.604 -2.921 -5.295 1.00 0.00 H new ATOM 1566 N PHE A 101 7.407 -4.852 -4.219 1.00 0.00 N ATOM 1567 CA PHE A 101 6.603 -5.194 -3.051 1.00 0.00 C ATOM 1568 C PHE A 101 6.793 -6.659 -2.670 1.00 0.00 C ATOM 1569 O PHE A 101 7.291 -6.970 -1.588 1.00 0.00 O ATOM 1570 CB PHE A 101 5.124 -4.914 -3.324 1.00 0.00 C ATOM 1571 CG PHE A 101 4.836 -3.475 -3.644 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.548 -2.458 -3.029 1.00 0.00 C ATOM 1573 CD2 PHE A 101 3.852 -3.139 -4.561 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.284 -1.133 -3.322 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.584 -1.816 -4.858 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.302 -0.812 -4.238 1.00 0.00 C ATOM 0 H PHE A 101 6.952 -4.215 -4.873 1.00 0.00 H new ATOM 0 HA PHE A 101 6.935 -4.574 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.792 -5.536 -4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.540 -5.208 -2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.318 -2.703 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.288 -3.920 -5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.845 -0.350 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.814 -1.568 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.096 0.223 -4.469 1.00 0.00 H new ATOM 1586 N ILE A 102 6.392 -7.554 -3.567 1.00 0.00 N ATOM 1587 CA ILE A 102 6.518 -8.986 -3.325 1.00 0.00 C ATOM 1588 C ILE A 102 7.759 -9.296 -2.495 1.00 0.00 C ATOM 1589 O ILE A 102 7.659 -9.780 -1.368 1.00 0.00 O ATOM 1590 CB ILE A 102 6.587 -9.776 -4.646 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.190 -9.912 -5.257 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.205 -11.146 -4.412 1.00 0.00 C ATOM 1593 CD1 ILE A 102 4.867 -8.837 -6.270 1.00 0.00 C ATOM 0 H ILE A 102 5.977 -7.313 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 102 5.629 -9.293 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 102 7.218 -9.230 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.105 -10.888 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.449 -9.882 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.247 -11.692 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.214 -11.027 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.598 -11.702 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.862 -8.996 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.920 -7.859 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.586 -8.880 -7.088 1.00 0.00 H new ATOM 1605 N ASN A 103 8.928 -9.012 -3.060 1.00 0.00 N ATOM 1606 CA ASN A 103 10.189 -9.260 -2.371 1.00 0.00 C ATOM 1607 C ASN A 103 10.205 -8.583 -1.004 1.00 0.00 C ATOM 1608 O ASN A 103 10.336 -9.243 0.027 1.00 0.00 O ATOM 1609 CB ASN A 103 11.362 -8.758 -3.215 1.00 0.00 C ATOM 1610 CG ASN A 103 11.380 -9.369 -4.603 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.407 -10.591 -4.755 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.364 -8.520 -5.624 1.00 0.00 N ATOM 0 H ASN A 103 9.028 -8.610 -3.992 1.00 0.00 H new ATOM 0 HA ASN A 103 10.289 -10.336 -2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.307 -7.673 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.298 -8.991 -2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.374 -8.873 -6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.342 -7.515 -5.451 1.00 0.00 H new ATOM 1619 N PHE A 104 10.071 -7.260 -1.004 1.00 0.00 N ATOM 1620 CA PHE A 104 10.070 -6.493 0.236 1.00 0.00 C ATOM 1621 C PHE A 104 9.319 -7.237 1.336 1.00 0.00 C ATOM 1622 O PHE A 104 9.580 -7.040 2.523 1.00 0.00 O ATOM 1623 CB PHE A 104 9.435 -5.119 0.009 1.00 0.00 C ATOM 1624 CG PHE A 104 9.352 -4.284 1.255 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.430 -3.516 1.663 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.195 -4.268 2.018 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.357 -2.746 2.809 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.116 -3.500 3.164 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.199 -2.739 3.561 1.00 0.00 C ATOM 0 H PHE A 104 9.962 -6.698 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 104 11.104 -6.361 0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.013 -4.580 -0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.432 -5.253 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.338 -3.519 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.346 -4.862 1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.204 -2.151 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.208 -3.494 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.140 -2.140 4.458 1.00 0.00 H new ATOM 1639 N ILE A 105 8.385 -8.092 0.933 1.00 0.00 N ATOM 1640 CA ILE A 105 7.597 -8.866 1.884 1.00 0.00 C ATOM 1641 C ILE A 105 8.241 -10.220 2.158 1.00 0.00 C ATOM 1642 O ILE A 105 8.644 -10.511 3.285 1.00 0.00 O ATOM 1643 CB ILE A 105 6.160 -9.087 1.375 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.444 -7.746 1.204 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.392 -9.986 2.333 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.317 -6.960 2.490 1.00 0.00 C ATOM 0 H ILE A 105 8.156 -8.266 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 105 7.562 -8.290 2.808 1.00 0.00 H new ATOM 0 HB ILE A 105 6.206 -9.579 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.985 -7.145 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.449 -7.924 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.378 -10.133 1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.894 -10.950 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.352 -9.519 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.799 -6.021 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.750 -7.541 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.310 -6.750 2.888 1.00 0.00 H new ATOM 1658 N SER A 106 8.338 -11.045 1.120 1.00 0.00 N ATOM 1659 CA SER A 106 8.932 -12.370 1.249 1.00 0.00 C ATOM 1660 C SER A 106 10.393 -12.271 1.679 1.00 0.00 C ATOM 1661 O SER A 106 10.799 -12.866 2.677 1.00 0.00 O ATOM 1662 CB SER A 106 8.829 -13.130 -0.075 1.00 0.00 C ATOM 1663 OG SER A 106 9.518 -14.366 -0.008 1.00 0.00 O ATOM 0 H SER A 106 8.013 -10.819 0.180 1.00 0.00 H new ATOM 0 HA SER A 106 8.381 -12.915 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.781 -13.307 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.243 -12.522 -0.880 1.00 0.00 H new ATOM 0 HG SER A 106 9.436 -14.833 -0.866 1.00 0.00 H new ATOM 1669 N ASP A 107 11.177 -11.515 0.918 1.00 0.00 N ATOM 1670 CA ASP A 107 12.592 -11.336 1.219 1.00 0.00 C ATOM 1671 C ASP A 107 12.779 -10.440 2.439 1.00 0.00 C ATOM 1672 O ASP A 107 13.864 -10.379 3.019 1.00 0.00 O ATOM 1673 CB ASP A 107 13.320 -10.737 0.015 1.00 0.00 C ATOM 1674 CG ASP A 107 13.860 -11.799 -0.923 1.00 0.00 C ATOM 1675 OD1 ASP A 107 13.198 -12.846 -1.078 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.945 -11.582 -1.501 1.00 0.00 O ATOM 0 H ASP A 107 10.856 -11.016 0.088 1.00 0.00 H new ATOM 0 HA ASP A 107 13.017 -12.315 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.637 -10.087 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.143 -10.113 0.365 1.00 0.00 H new ATOM 1681 N LYS A 108 11.714 -9.745 2.825 1.00 0.00 N ATOM 1682 CA LYS A 108 11.759 -8.851 3.976 1.00 0.00 C ATOM 1683 C LYS A 108 12.878 -7.826 3.826 1.00 0.00 C ATOM 1684 O LYS A 108 13.674 -7.623 4.743 1.00 0.00 O ATOM 1685 CB LYS A 108 11.959 -9.655 5.264 1.00 0.00 C ATOM 1686 CG LYS A 108 10.916 -10.739 5.472 1.00 0.00 C ATOM 1687 CD LYS A 108 11.386 -11.781 6.473 1.00 0.00 C ATOM 1688 CE LYS A 108 10.570 -13.060 6.371 1.00 0.00 C ATOM 1689 NZ LYS A 108 10.922 -14.030 7.445 1.00 0.00 N ATOM 0 H LYS A 108 10.809 -9.784 2.357 1.00 0.00 H new ATOM 0 HA LYS A 108 10.809 -8.320 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.948 -10.113 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.938 -8.974 6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.987 -10.289 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.696 -11.221 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.439 -12.005 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.308 -11.378 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.509 -12.819 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.737 -13.520 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.344 -14.888 7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.929 -14.279 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.739 -13.600 8.374 1.00 0.00 H new ATOM 1703 N GLU A 109 12.932 -7.181 2.665 1.00 0.00 N ATOM 1704 CA GLU A 109 13.954 -6.176 2.396 1.00 0.00 C ATOM 1705 C GLU A 109 13.993 -5.130 3.507 1.00 0.00 C ATOM 1706 O GLU A 109 15.041 -4.549 3.789 1.00 0.00 O ATOM 1707 CB GLU A 109 13.692 -5.497 1.050 1.00 0.00 C ATOM 1708 CG GLU A 109 13.799 -6.439 -0.137 1.00 0.00 C ATOM 1709 CD GLU A 109 13.636 -5.725 -1.465 1.00 0.00 C ATOM 1710 OE1 GLU A 109 13.857 -4.496 -1.510 1.00 0.00 O ATOM 1711 OE2 GLU A 109 13.287 -6.395 -2.459 1.00 0.00 O ATOM 0 H GLU A 109 12.280 -7.336 1.896 1.00 0.00 H new ATOM 0 HA GLU A 109 14.921 -6.678 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.696 -5.055 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.402 -4.680 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.768 -6.938 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.038 -7.215 -0.050 1.00 0.00 H new ATOM 1718 N TRP A 110 12.845 -4.896 4.131 1.00 0.00 N ATOM 1719 CA TRP A 110 12.748 -3.920 5.211 1.00 0.00 C ATOM 1720 C TRP A 110 13.846 -4.140 6.244 1.00 0.00 C ATOM 1721 O TRP A 110 14.322 -3.192 6.871 1.00 0.00 O ATOM 1722 CB TRP A 110 11.375 -4.005 5.881 1.00 0.00 C ATOM 1723 CG TRP A 110 11.011 -5.393 6.314 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.337 -6.330 5.583 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.300 -6.000 7.578 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.189 -7.482 6.317 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.772 -7.305 7.544 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.954 -5.568 8.735 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 10.879 -8.179 8.623 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.059 -6.436 9.805 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.524 -7.730 9.743 1.00 0.00 C ATOM 0 H TRP A 110 11.969 -5.368 3.909 1.00 0.00 H new ATOM 0 HA TRP A 110 12.874 -2.926 4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.361 -3.346 6.749 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.617 -3.637 5.189 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.974 -6.186 4.576 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.721 -8.331 6.000 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.370 -4.573 8.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.467 -9.176 8.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.562 -6.112 10.704 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.623 -8.385 10.596 1.00 0.00 H new ATOM 1742 N LYS A 111 14.246 -5.395 6.419 1.00 0.00 N ATOM 1743 CA LYS A 111 15.290 -5.740 7.376 1.00 0.00 C ATOM 1744 C LYS A 111 16.531 -4.878 7.162 1.00 0.00 C ATOM 1745 O LYS A 111 17.172 -4.447 8.120 1.00 0.00 O ATOM 1746 CB LYS A 111 15.657 -7.220 7.252 1.00 0.00 C ATOM 1747 CG LYS A 111 14.640 -8.154 7.885 1.00 0.00 C ATOM 1748 CD LYS A 111 14.866 -8.294 9.381 1.00 0.00 C ATOM 1749 CE LYS A 111 14.230 -9.563 9.925 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.946 -10.785 9.464 1.00 0.00 N ATOM 0 H LYS A 111 13.862 -6.191 5.910 1.00 0.00 H new ATOM 0 HA LYS A 111 14.905 -5.551 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.762 -7.472 6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.629 -7.385 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.634 -7.776 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.703 -9.135 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.936 -8.304 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.450 -7.428 9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.231 -9.531 11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.188 -9.611 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.719 -11.579 10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.648 -11.017 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.972 -10.613 9.479 1.00 0.00 H new ATOM 1764 N SER A 112 16.862 -4.630 5.899 1.00 0.00 N ATOM 1765 CA SER A 112 18.027 -3.822 5.559 1.00 0.00 C ATOM 1766 C SER A 112 17.648 -2.349 5.430 1.00 0.00 C ATOM 1767 O SER A 112 18.349 -1.571 4.782 1.00 0.00 O ATOM 1768 CB SER A 112 18.654 -4.315 4.253 1.00 0.00 C ATOM 1769 OG SER A 112 19.875 -3.647 3.989 1.00 0.00 O ATOM 0 H SER A 112 16.340 -4.977 5.094 1.00 0.00 H new ATOM 0 HA SER A 112 18.755 -3.923 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.829 -5.389 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.960 -4.151 3.428 1.00 0.00 H new ATOM 0 HG SER A 112 19.761 -2.686 4.141 1.00 0.00 H new ATOM 1775 N ILE A 113 16.535 -1.975 6.050 1.00 0.00 N ATOM 1776 CA ILE A 113 16.062 -0.597 6.006 1.00 0.00 C ATOM 1777 C ILE A 113 16.027 0.017 7.401 1.00 0.00 C ATOM 1778 O ILE A 113 15.623 -0.632 8.365 1.00 0.00 O ATOM 1779 CB ILE A 113 14.659 -0.503 5.380 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.677 -1.046 3.949 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.165 0.936 5.399 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.324 -1.015 3.274 1.00 0.00 C ATOM 0 H ILE A 113 15.943 -2.607 6.589 1.00 0.00 H new ATOM 0 HA ILE A 113 16.765 -0.042 5.385 1.00 0.00 H new ATOM 0 HB ILE A 113 13.973 -1.110 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.383 -0.464 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.044 -2.072 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.172 0.986 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.119 1.291 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.850 1.564 4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.412 -1.414 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.619 -1.621 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.964 0.013 3.228 1.00 0.00 H new ATOM 1794 N GLU A 114 16.450 1.273 7.500 1.00 0.00 N ATOM 1795 CA GLU A 114 16.465 1.975 8.778 1.00 0.00 C ATOM 1796 C GLU A 114 15.046 2.285 9.246 1.00 0.00 C ATOM 1797 O GLU A 114 14.285 2.987 8.580 1.00 0.00 O ATOM 1798 CB GLU A 114 17.270 3.271 8.664 1.00 0.00 C ATOM 1799 CG GLU A 114 18.770 3.049 8.564 1.00 0.00 C ATOM 1800 CD GLU A 114 19.570 4.259 9.007 1.00 0.00 C ATOM 1801 OE1 GLU A 114 19.113 4.968 9.928 1.00 0.00 O ATOM 1802 OE2 GLU A 114 20.653 4.496 8.432 1.00 0.00 O ATOM 0 H GLU A 114 16.787 1.825 6.711 1.00 0.00 H new ATOM 0 HA GLU A 114 16.938 1.325 9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.933 3.822 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.061 3.896 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.048 2.191 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.029 2.804 7.534 1.00 0.00 H new ATOM 1809 N PRO A 115 14.680 1.747 10.419 1.00 0.00 N ATOM 1810 CA PRO A 115 13.350 1.951 11.002 1.00 0.00 C ATOM 1811 C PRO A 115 13.142 3.384 11.482 1.00 0.00 C ATOM 1812 O PRO A 115 14.085 4.173 11.540 1.00 0.00 O ATOM 1813 CB PRO A 115 13.331 0.983 12.187 1.00 0.00 C ATOM 1814 CG PRO A 115 14.763 0.802 12.553 1.00 0.00 C ATOM 1815 CD PRO A 115 15.535 0.899 11.266 1.00 0.00 C ATOM 0 HA PRO A 115 12.555 1.775 10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.758 1.389 13.020 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.869 0.034 11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.085 1.567 13.260 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.924 -0.163 13.033 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.518 1.345 11.419 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.697 -0.082 10.819 1.00 0.00 H new ATOM 1823 N VAL A 116 11.901 3.713 11.825 1.00 0.00 N ATOM 1824 CA VAL A 116 11.568 5.051 12.301 1.00 0.00 C ATOM 1825 C VAL A 116 10.947 5.000 13.692 1.00 0.00 C ATOM 1826 O VAL A 116 9.972 4.284 13.922 1.00 0.00 O ATOM 1827 CB VAL A 116 10.596 5.763 11.342 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.341 6.302 10.130 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.481 4.819 10.917 1.00 0.00 C ATOM 0 H VAL A 116 11.109 3.072 11.782 1.00 0.00 H new ATOM 0 HA VAL A 116 12.501 5.613 12.343 1.00 0.00 H new ATOM 0 HB VAL A 116 10.147 6.606 11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.638 6.802 9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.100 7.013 10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.819 5.478 9.601 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.803 5.338 10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.910 3.955 10.410 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.930 4.487 11.797 1.00 0.00 H new ATOM 1839 N SER A 117 11.517 5.766 14.617 1.00 0.00 N ATOM 1840 CA SER A 117 11.021 5.806 15.988 1.00 0.00 C ATOM 1841 C SER A 117 10.430 7.175 16.312 1.00 0.00 C ATOM 1842 O SER A 117 10.764 7.782 17.329 1.00 0.00 O ATOM 1843 CB SER A 117 12.147 5.479 16.970 1.00 0.00 C ATOM 1844 OG SER A 117 11.629 5.126 18.241 1.00 0.00 O ATOM 0 H SER A 117 12.322 6.367 14.442 1.00 0.00 H new ATOM 0 HA SER A 117 10.235 5.057 16.086 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.748 4.659 16.578 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.808 6.340 17.070 1.00 0.00 H new ATOM 0 HG SER A 117 11.069 5.855 18.580 1.00 0.00 H new ATOM 1850 N SER A 118 9.550 7.654 15.439 1.00 0.00 N ATOM 1851 CA SER A 118 8.914 8.953 15.628 1.00 0.00 C ATOM 1852 C SER A 118 7.395 8.816 15.649 1.00 0.00 C ATOM 1853 O SER A 118 6.714 9.203 14.699 1.00 0.00 O ATOM 1854 CB SER A 118 9.337 9.918 14.519 1.00 0.00 C ATOM 1855 OG SER A 118 9.251 11.264 14.953 1.00 0.00 O ATOM 0 H SER A 118 9.261 7.162 14.593 1.00 0.00 H new ATOM 0 HA SER A 118 9.238 9.353 16.589 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.359 9.697 14.211 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.702 9.773 13.645 1.00 0.00 H new ATOM 0 HG SER A 118 9.528 11.860 14.226 1.00 0.00 H new ATOM 1861 N TRP A 119 6.872 8.264 16.737 1.00 0.00 N ATOM 1862 CA TRP A 119 5.433 8.076 16.882 1.00 0.00 C ATOM 1863 C TRP A 119 4.923 8.739 18.157 1.00 0.00 C ATOM 1864 O TRP A 119 5.314 8.364 19.263 1.00 0.00 O ATOM 1865 CB TRP A 119 5.091 6.585 16.896 1.00 0.00 C ATOM 1866 CG TRP A 119 3.619 6.314 16.963 1.00 0.00 C ATOM 1867 CD1 TRP A 119 2.879 6.082 18.087 1.00 0.00 C ATOM 1868 CD2 TRP A 119 2.709 6.244 15.860 1.00 0.00 C ATOM 1869 NE1 TRP A 119 1.563 5.872 17.749 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.433 5.967 16.389 1.00 0.00 C ATOM 1871 CE3 TRP A 119 2.848 6.389 14.477 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.306 5.833 15.582 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 1.728 6.256 13.678 1.00 0.00 C ATOM 1874 CH2 TRP A 119 0.471 5.980 14.232 1.00 0.00 C ATOM 0 H TRP A 119 7.422 7.939 17.532 1.00 0.00 H new ATOM 0 HA TRP A 119 4.943 8.546 16.029 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.499 6.118 16.000 1.00 0.00 H new ATOM 0 HB3 TRP A 119 5.579 6.116 17.750 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.270 6.066 19.094 1.00 0.00 H new ATOM 0 HE1 TRP A 119 0.806 5.677 18.405 1.00 0.00 H new ATOM 0 HE3 TRP A 119 3.813 6.601 14.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.664 5.621 16.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.823 6.367 12.608 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.385 5.881 13.580 1.00 0.00 H new ATOM 1885 N PHE A 120 4.047 9.726 17.997 1.00 0.00 N ATOM 1886 CA PHE A 120 3.484 10.441 19.136 1.00 0.00 C ATOM 1887 C PHE A 120 1.961 10.466 19.064 1.00 0.00 C ATOM 1888 O PHE A 120 1.365 11.450 18.627 1.00 0.00 O ATOM 1889 CB PHE A 120 4.027 11.871 19.186 1.00 0.00 C ATOM 1890 CG PHE A 120 3.419 12.705 20.277 1.00 0.00 C ATOM 1891 CD1 PHE A 120 3.470 12.286 21.597 1.00 0.00 C ATOM 1892 CD2 PHE A 120 2.797 13.908 19.984 1.00 0.00 C ATOM 1893 CE1 PHE A 120 2.912 13.051 22.604 1.00 0.00 C ATOM 1894 CE2 PHE A 120 2.238 14.677 20.986 1.00 0.00 C ATOM 1895 CZ PHE A 120 2.295 14.248 22.298 1.00 0.00 C ATOM 0 H PHE A 120 3.712 10.049 17.089 1.00 0.00 H new ATOM 0 HA PHE A 120 3.778 9.915 20.044 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.107 11.836 19.326 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.845 12.354 18.226 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.951 11.351 21.842 1.00 0.00 H new ATOM 0 HD2 PHE A 120 2.749 14.248 18.960 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.958 12.713 23.629 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.757 15.613 20.744 1.00 0.00 H new ATOM 0 HZ PHE A 120 1.858 14.848 23.083 1.00 0.00 H new ATOM 1905 N SER A 121 1.336 9.374 19.494 1.00 0.00 N ATOM 1906 CA SER A 121 -0.118 9.268 19.475 1.00 0.00 C ATOM 1907 C SER A 121 -0.639 8.698 20.791 1.00 0.00 C ATOM 1908 O SER A 121 -0.422 7.528 21.103 1.00 0.00 O ATOM 1909 CB SER A 121 -0.570 8.385 18.310 1.00 0.00 C ATOM 1910 OG SER A 121 -1.925 7.997 18.460 1.00 0.00 O ATOM 0 H SER A 121 1.814 8.551 19.860 1.00 0.00 H new ATOM 0 HA SER A 121 -0.529 10.269 19.345 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.445 8.924 17.371 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.062 7.498 18.255 1.00 0.00 H new ATOM 0 HG SER A 121 -2.190 7.435 17.702 1.00 0.00 H new ATOM 1916 N GLY A 122 -1.327 9.536 21.560 1.00 0.00 N ATOM 1917 CA GLY A 122 -1.868 9.099 22.834 1.00 0.00 C ATOM 1918 C GLY A 122 -0.790 8.643 23.796 1.00 0.00 C ATOM 1919 O GLY A 122 0.348 8.380 23.407 1.00 0.00 O ATOM 0 H GLY A 122 -1.519 10.509 21.324 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.431 9.916 23.285 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.570 8.282 22.666 1.00 0.00 H new ATOM 1923 N PRO A 123 -1.145 8.545 25.086 1.00 0.00 N ATOM 1924 CA PRO A 123 -0.212 8.119 26.134 1.00 0.00 C ATOM 1925 C PRO A 123 0.151 6.642 26.021 1.00 0.00 C ATOM 1926 O PRO A 123 -0.713 5.797 25.786 1.00 0.00 O ATOM 1927 CB PRO A 123 -0.987 8.381 27.427 1.00 0.00 C ATOM 1928 CG PRO A 123 -2.422 8.318 27.029 1.00 0.00 C ATOM 1929 CD PRO A 123 -2.484 8.844 25.621 1.00 0.00 C ATOM 0 HA PRO A 123 0.738 8.651 26.075 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.754 7.635 28.186 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.736 9.354 27.849 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.797 7.296 27.081 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.039 8.918 27.698 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.267 8.353 25.043 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.696 9.913 25.600 1.00 0.00 H new ATOM 1937 N SER A 124 1.434 6.338 26.190 1.00 0.00 N ATOM 1938 CA SER A 124 1.912 4.963 26.103 1.00 0.00 C ATOM 1939 C SER A 124 1.460 4.154 27.315 1.00 0.00 C ATOM 1940 O SER A 124 1.012 4.712 28.317 1.00 0.00 O ATOM 1941 CB SER A 124 3.438 4.937 25.998 1.00 0.00 C ATOM 1942 OG SER A 124 4.038 5.515 27.145 1.00 0.00 O ATOM 0 H SER A 124 2.161 7.025 26.388 1.00 0.00 H new ATOM 0 HA SER A 124 1.486 4.512 25.207 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.780 3.908 25.884 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.754 5.479 25.106 1.00 0.00 H new ATOM 0 HG SER A 124 5.013 5.485 27.054 1.00 0.00 H new ATOM 1948 N SER A 125 1.580 2.834 27.215 1.00 0.00 N ATOM 1949 CA SER A 125 1.180 1.946 28.301 1.00 0.00 C ATOM 1950 C SER A 125 2.061 2.158 29.528 1.00 0.00 C ATOM 1951 O SER A 125 1.567 2.254 30.651 1.00 0.00 O ATOM 1952 CB SER A 125 1.259 0.486 27.849 1.00 0.00 C ATOM 1953 OG SER A 125 2.557 0.168 27.376 1.00 0.00 O ATOM 0 H SER A 125 1.951 2.356 26.394 1.00 0.00 H new ATOM 0 HA SER A 125 0.150 2.181 28.569 1.00 0.00 H new ATOM 0 HB2 SER A 125 1.001 -0.170 28.680 1.00 0.00 H new ATOM 0 HB3 SER A 125 0.527 0.306 27.062 1.00 0.00 H new ATOM 0 HG SER A 125 2.582 -0.770 27.095 1.00 0.00 H new ATOM 1959 N GLY A 126 3.370 2.231 29.305 1.00 0.00 N ATOM 1960 CA GLY A 126 4.299 2.431 30.401 1.00 0.00 C ATOM 1961 C GLY A 126 5.106 1.186 30.712 1.00 0.00 C ATOM 1962 O GLY A 126 5.874 1.160 31.673 1.00 0.00 O ATOM 0 H GLY A 126 3.803 2.155 28.385 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.977 3.248 30.154 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.747 2.734 31.291 1.00 0.00 H new TER 1966 GLY A 126