USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 724 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 81 ASN : amide:sc= -0.021 X(o=-0.2,f=-0.18) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.183 X(o=-0.2,f=-0.18) USER MOD Set 2.1: A 52 SER OG : rot -66:sc= 1.19 USER MOD Set 2.2: A 78 TYR OH : rot 4:sc= 2.44 USER MOD Set 3.1: A 15 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.9!) USER MOD Set 3.2: A 17 GLN : amide:sc= -0.0514 X(o=-2.5,f=-2.5) 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 9 CYS SG : rot 180:sc= 0.0648 USER MOD Single : A 10 GLN : amide:sc= -0.0225 X(o=-0.023,f=-0.32) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 31:sc= -0.924 USER MOD Single : A 27 ASN : amide:sc= -2 K(o=-2,f=-0.088) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 71:sc= 0.704 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 54 SER OG : rot 180:sc= -0.412 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.07) USER MOD Single : A 58 CYS SG : rot 21:sc= 0.262 USER MOD Single : A 61 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.12) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00864) USER MOD Single : A 65 SER OG : rot 4:sc= 0.322 USER MOD Single : A 66 CYS SG : rot 160:sc= -0.0563 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -51:sc= 0.272 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -165:sc= 0.499 USER MOD Single : A 92 SER OG : rot -110:sc= -1.58 USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0284) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.587 40.768 -1.114 1.00 0.00 N ATOM 2 CA GLY A 1 6.611 40.807 0.337 1.00 0.00 C ATOM 3 C GLY A 1 7.519 39.747 0.930 1.00 0.00 C ATOM 4 O GLY A 1 8.614 39.504 0.424 1.00 0.00 O ATOM 0 H1 GLY A 1 5.953 41.511 -1.471 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.547 40.926 -1.481 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.244 39.839 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.944 41.792 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.599 40.669 0.718 1.00 0.00 H new ATOM 8 N SER A 2 7.063 39.116 2.008 1.00 0.00 N ATOM 9 CA SER A 2 7.844 38.081 2.674 1.00 0.00 C ATOM 10 C SER A 2 7.531 36.706 2.093 1.00 0.00 C ATOM 11 O SER A 2 6.467 36.141 2.344 1.00 0.00 O ATOM 12 CB SER A 2 7.562 38.088 4.178 1.00 0.00 C ATOM 13 OG SER A 2 8.670 37.588 4.907 1.00 0.00 O ATOM 0 H SER A 2 6.157 39.304 2.438 1.00 0.00 H new ATOM 0 HA SER A 2 8.900 38.294 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.336 39.103 4.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.681 37.482 4.389 1.00 0.00 H new ATOM 0 HG SER A 2 8.465 37.604 5.865 1.00 0.00 H new ATOM 19 N SER A 3 8.467 36.172 1.315 1.00 0.00 N ATOM 20 CA SER A 3 8.291 34.864 0.694 1.00 0.00 C ATOM 21 C SER A 3 8.819 33.757 1.601 1.00 0.00 C ATOM 22 O SER A 3 9.460 32.814 1.140 1.00 0.00 O ATOM 23 CB SER A 3 9.007 34.817 -0.657 1.00 0.00 C ATOM 24 OG SER A 3 8.464 35.769 -1.555 1.00 0.00 O ATOM 0 H SER A 3 9.355 36.625 1.100 1.00 0.00 H new ATOM 0 HA SER A 3 7.224 34.704 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.070 35.011 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.919 33.818 -1.084 1.00 0.00 H new ATOM 0 HG SER A 3 8.940 35.720 -2.410 1.00 0.00 H new ATOM 30 N GLY A 4 8.543 33.879 2.896 1.00 0.00 N ATOM 31 CA GLY A 4 8.997 32.882 3.848 1.00 0.00 C ATOM 32 C GLY A 4 7.900 31.912 4.239 1.00 0.00 C ATOM 33 O GLY A 4 7.095 32.199 5.125 1.00 0.00 O ATOM 0 H GLY A 4 8.013 34.650 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.832 32.328 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.372 33.381 4.742 1.00 0.00 H new ATOM 37 N SER A 5 7.866 30.761 3.575 1.00 0.00 N ATOM 38 CA SER A 5 6.855 29.747 3.854 1.00 0.00 C ATOM 39 C SER A 5 7.378 28.721 4.856 1.00 0.00 C ATOM 40 O SER A 5 8.586 28.549 5.011 1.00 0.00 O ATOM 41 CB SER A 5 6.435 29.046 2.561 1.00 0.00 C ATOM 42 OG SER A 5 5.579 29.871 1.789 1.00 0.00 O ATOM 0 H SER A 5 8.526 30.507 2.840 1.00 0.00 H new ATOM 0 HA SER A 5 5.987 30.244 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.320 28.789 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.927 28.111 2.799 1.00 0.00 H new ATOM 0 HG SER A 5 5.326 29.401 0.967 1.00 0.00 H new ATOM 48 N SER A 6 6.457 28.043 5.533 1.00 0.00 N ATOM 49 CA SER A 6 6.822 27.037 6.523 1.00 0.00 C ATOM 50 C SER A 6 6.510 25.633 6.012 1.00 0.00 C ATOM 51 O SER A 6 5.475 25.404 5.388 1.00 0.00 O ATOM 52 CB SER A 6 6.081 27.290 7.837 1.00 0.00 C ATOM 53 OG SER A 6 6.269 28.623 8.280 1.00 0.00 O ATOM 0 H SER A 6 5.452 28.172 5.414 1.00 0.00 H new ATOM 0 HA SER A 6 7.895 27.111 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.017 27.095 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.438 26.597 8.599 1.00 0.00 H new ATOM 0 HG SER A 6 5.784 28.760 9.121 1.00 0.00 H new ATOM 59 N GLY A 7 7.415 24.697 6.282 1.00 0.00 N ATOM 60 CA GLY A 7 7.219 23.328 5.842 1.00 0.00 C ATOM 61 C GLY A 7 5.785 22.865 6.008 1.00 0.00 C ATOM 62 O GLY A 7 5.085 23.305 6.920 1.00 0.00 O ATOM 0 H GLY A 7 8.280 24.862 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.506 23.242 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.878 22.670 6.408 1.00 0.00 H new ATOM 66 N GLY A 8 5.345 21.976 5.123 1.00 0.00 N ATOM 67 CA GLY A 8 3.987 21.470 5.192 1.00 0.00 C ATOM 68 C GLY A 8 3.627 20.612 3.995 1.00 0.00 C ATOM 69 O GLY A 8 2.866 21.036 3.125 1.00 0.00 O ATOM 0 H GLY A 8 5.905 21.597 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.866 20.885 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.293 22.308 5.256 1.00 0.00 H new ATOM 73 N CYS A 9 4.174 19.402 3.951 1.00 0.00 N ATOM 74 CA CYS A 9 3.908 18.483 2.850 1.00 0.00 C ATOM 75 C CYS A 9 2.409 18.266 2.673 1.00 0.00 C ATOM 76 O CYS A 9 1.632 18.444 3.611 1.00 0.00 O ATOM 77 CB CYS A 9 4.604 17.143 3.098 1.00 0.00 C ATOM 78 SG CYS A 9 6.326 17.293 3.628 1.00 0.00 S ATOM 0 H CYS A 9 4.804 19.035 4.664 1.00 0.00 H new ATOM 0 HA CYS A 9 4.303 18.926 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.048 16.592 3.857 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.567 16.552 2.183 1.00 0.00 H new ATOM 0 HG CYS A 9 6.827 16.108 3.814 1.00 0.00 H new ATOM 84 N GLN A 10 2.010 17.883 1.465 1.00 0.00 N ATOM 85 CA GLN A 10 0.603 17.644 1.165 1.00 0.00 C ATOM 86 C GLN A 10 0.316 16.151 1.052 1.00 0.00 C ATOM 87 O GLN A 10 0.455 15.546 -0.012 1.00 0.00 O ATOM 88 CB GLN A 10 0.210 18.351 -0.134 1.00 0.00 C ATOM 89 CG GLN A 10 -0.007 19.846 0.030 1.00 0.00 C ATOM 90 CD GLN A 10 -1.326 20.175 0.702 1.00 0.00 C ATOM 91 OE1 GLN A 10 -1.429 20.167 1.929 1.00 0.00 O ATOM 92 NE2 GLN A 10 -2.344 20.465 -0.100 1.00 0.00 N ATOM 0 H GLN A 10 2.641 17.731 0.678 1.00 0.00 H new ATOM 0 HA GLN A 10 0.009 18.048 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.989 18.185 -0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.703 17.900 -0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.810 20.265 0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.026 20.324 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.214 20.460 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.256 20.693 0.296 1.00 0.00 H new ATOM 101 N PRO A 11 -0.093 15.540 2.174 1.00 0.00 N ATOM 102 CA PRO A 11 -0.408 14.109 2.226 1.00 0.00 C ATOM 103 C PRO A 11 -1.681 13.768 1.459 1.00 0.00 C ATOM 104 O PRO A 11 -2.082 12.606 1.388 1.00 0.00 O ATOM 105 CB PRO A 11 -0.597 13.842 3.721 1.00 0.00 C ATOM 106 CG PRO A 11 -0.995 15.158 4.294 1.00 0.00 C ATOM 107 CD PRO A 11 -0.280 16.199 3.477 1.00 0.00 C ATOM 0 HA PRO A 11 0.372 13.503 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.364 13.087 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.322 13.474 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.075 15.295 4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.715 15.227 5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.869 17.112 3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.673 16.478 3.927 1.00 0.00 H new ATOM 115 N SER A 12 -2.312 14.787 0.885 1.00 0.00 N ATOM 116 CA SER A 12 -3.542 14.594 0.126 1.00 0.00 C ATOM 117 C SER A 12 -3.250 14.513 -1.370 1.00 0.00 C ATOM 118 O SER A 12 -4.044 13.973 -2.140 1.00 0.00 O ATOM 119 CB SER A 12 -4.522 15.736 0.404 1.00 0.00 C ATOM 120 OG SER A 12 -4.706 15.922 1.797 1.00 0.00 O ATOM 0 H SER A 12 -1.992 15.754 0.931 1.00 0.00 H new ATOM 0 HA SER A 12 -3.992 13.653 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.148 16.657 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.481 15.519 -0.067 1.00 0.00 H new ATOM 0 HG SER A 12 -5.335 16.658 1.948 1.00 0.00 H new ATOM 126 N ARG A 13 -2.105 15.053 -1.773 1.00 0.00 N ATOM 127 CA ARG A 13 -1.707 15.043 -3.175 1.00 0.00 C ATOM 128 C ARG A 13 -1.271 13.646 -3.607 1.00 0.00 C ATOM 129 O ARG A 13 -1.160 13.360 -4.799 1.00 0.00 O ATOM 130 CB ARG A 13 -0.571 16.040 -3.412 1.00 0.00 C ATOM 131 CG ARG A 13 -0.956 17.482 -3.129 1.00 0.00 C ATOM 132 CD ARG A 13 -1.526 18.160 -4.365 1.00 0.00 C ATOM 133 NE ARG A 13 -0.493 18.450 -5.356 1.00 0.00 N ATOM 134 CZ ARG A 13 -0.751 18.921 -6.570 1.00 0.00 C ATOM 135 NH1 ARG A 13 -2.002 19.156 -6.942 1.00 0.00 N ATOM 136 NH2 ARG A 13 0.243 19.160 -7.416 1.00 0.00 N ATOM 0 H ARG A 13 -1.436 15.503 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.569 15.337 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.276 15.769 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.238 15.958 -4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.691 17.512 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.081 18.032 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.287 17.520 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.020 19.087 -4.074 1.00 0.00 H new ATOM 0 HE ARG A 13 0.480 18.281 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.769 18.975 -6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.197 19.518 -7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.207 18.982 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.043 19.522 -8.348 1.00 0.00 H new ATOM 150 N VAL A 14 -1.025 12.780 -2.629 1.00 0.00 N ATOM 151 CA VAL A 14 -0.602 11.413 -2.908 1.00 0.00 C ATOM 152 C VAL A 14 -1.798 10.522 -3.225 1.00 0.00 C ATOM 153 O VAL A 14 -2.876 10.688 -2.656 1.00 0.00 O ATOM 154 CB VAL A 14 0.171 10.812 -1.719 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.818 9.493 -2.115 1.00 0.00 C ATOM 156 CG2 VAL A 14 1.214 11.795 -1.211 1.00 0.00 C ATOM 0 H VAL A 14 -1.111 13.001 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 14 0.056 11.455 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.534 10.616 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.360 9.083 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.047 8.789 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.512 9.661 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.751 11.354 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.918 12.025 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.722 12.712 -0.886 1.00 0.00 H new ATOM 166 N GLN A 15 -1.598 9.575 -4.136 1.00 0.00 N ATOM 167 CA GLN A 15 -2.660 8.657 -4.529 1.00 0.00 C ATOM 168 C GLN A 15 -2.149 7.221 -4.577 1.00 0.00 C ATOM 169 O GLN A 15 -0.966 6.980 -4.813 1.00 0.00 O ATOM 170 CB GLN A 15 -3.228 9.054 -5.893 1.00 0.00 C ATOM 171 CG GLN A 15 -2.456 8.471 -7.066 1.00 0.00 C ATOM 172 CD GLN A 15 -2.533 9.340 -8.306 1.00 0.00 C ATOM 173 OE1 GLN A 15 -2.222 10.531 -8.263 1.00 0.00 O ATOM 174 NE2 GLN A 15 -2.950 8.749 -9.419 1.00 0.00 N ATOM 0 H GLN A 15 -0.711 9.424 -4.615 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.452 8.717 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.266 8.728 -5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.230 10.141 -5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.412 8.343 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.847 7.480 -7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.197 7.760 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.023 9.284 -10.284 1.00 0.00 H new ATOM 183 N ALA A 16 -3.050 6.270 -4.350 1.00 0.00 N ATOM 184 CA ALA A 16 -2.690 4.857 -4.369 1.00 0.00 C ATOM 185 C ALA A 16 -3.713 4.040 -5.150 1.00 0.00 C ATOM 186 O ALA A 16 -4.900 4.039 -4.823 1.00 0.00 O ATOM 187 CB ALA A 16 -2.561 4.327 -2.948 1.00 0.00 C ATOM 0 H ALA A 16 -4.034 6.452 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.727 4.759 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.292 3.271 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.787 4.885 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.512 4.445 -2.428 1.00 0.00 H new ATOM 193 N GLN A 17 -3.246 3.348 -6.184 1.00 0.00 N ATOM 194 CA GLN A 17 -4.122 2.528 -7.012 1.00 0.00 C ATOM 195 C GLN A 17 -3.383 1.302 -7.539 1.00 0.00 C ATOM 196 O GLN A 17 -2.226 1.390 -7.947 1.00 0.00 O ATOM 197 CB GLN A 17 -4.669 3.349 -8.181 1.00 0.00 C ATOM 198 CG GLN A 17 -3.589 3.885 -9.107 1.00 0.00 C ATOM 199 CD GLN A 17 -4.111 4.195 -10.495 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.690 3.334 -11.160 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.910 5.429 -10.942 1.00 0.00 N ATOM 0 H GLN A 17 -2.266 3.339 -6.468 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.953 2.190 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.356 2.731 -8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.247 4.186 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.160 4.789 -8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.784 3.154 -9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.426 6.111 -10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.240 5.695 -11.870 1.00 0.00 H new ATOM 210 N GLY A 18 -4.060 0.158 -7.525 1.00 0.00 N ATOM 211 CA GLY A 18 -3.452 -1.070 -8.003 1.00 0.00 C ATOM 212 C GLY A 18 -4.125 -2.307 -7.442 1.00 0.00 C ATOM 213 O GLY A 18 -5.155 -2.230 -6.773 1.00 0.00 O ATOM 0 H GLY A 18 -5.019 0.060 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.500 -1.096 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.397 -1.079 -7.731 1.00 0.00 H new ATOM 217 N PRO A 19 -3.537 -3.481 -7.718 1.00 0.00 N ATOM 218 CA PRO A 19 -4.070 -4.763 -7.246 1.00 0.00 C ATOM 219 C PRO A 19 -3.924 -4.932 -5.738 1.00 0.00 C ATOM 220 O PRO A 19 -4.865 -5.330 -5.054 1.00 0.00 O ATOM 221 CB PRO A 19 -3.216 -5.796 -7.986 1.00 0.00 C ATOM 222 CG PRO A 19 -1.939 -5.088 -8.283 1.00 0.00 C ATOM 223 CD PRO A 19 -2.307 -3.648 -8.510 1.00 0.00 C ATOM 0 HA PRO A 19 -5.139 -4.856 -7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.045 -6.681 -7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.705 -6.132 -8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.237 -5.185 -7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.454 -5.510 -9.163 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.519 -2.974 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.478 -3.439 -9.566 1.00 0.00 H new ATOM 231 N GLY A 20 -2.736 -4.625 -5.225 1.00 0.00 N ATOM 232 CA GLY A 20 -2.488 -4.750 -3.800 1.00 0.00 C ATOM 233 C GLY A 20 -3.500 -3.987 -2.968 1.00 0.00 C ATOM 234 O GLY A 20 -3.628 -4.222 -1.765 1.00 0.00 O ATOM 0 H GLY A 20 -1.941 -4.292 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.512 -5.803 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.486 -4.384 -3.575 1.00 0.00 H new ATOM 238 N LEU A 21 -4.219 -3.071 -3.606 1.00 0.00 N ATOM 239 CA LEU A 21 -5.224 -2.269 -2.916 1.00 0.00 C ATOM 240 C LEU A 21 -6.626 -2.807 -3.182 1.00 0.00 C ATOM 241 O LEU A 21 -7.519 -2.687 -2.342 1.00 0.00 O ATOM 242 CB LEU A 21 -5.133 -0.809 -3.361 1.00 0.00 C ATOM 243 CG LEU A 21 -3.788 -0.119 -3.130 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.783 1.266 -3.758 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.482 -0.032 -1.641 1.00 0.00 C ATOM 0 H LEU A 21 -4.125 -2.865 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.029 -2.329 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.366 -0.759 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.904 -0.242 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.010 -0.715 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.818 1.741 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.956 1.180 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.572 1.871 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.521 0.462 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.264 0.541 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.442 -1.036 -1.219 1.00 0.00 H new ATOM 257 N LYS A 22 -6.813 -3.404 -4.354 1.00 0.00 N ATOM 258 CA LYS A 22 -8.105 -3.964 -4.731 1.00 0.00 C ATOM 259 C LYS A 22 -8.290 -5.356 -4.134 1.00 0.00 C ATOM 260 O LYS A 22 -9.285 -5.625 -3.462 1.00 0.00 O ATOM 261 CB LYS A 22 -8.231 -4.031 -6.255 1.00 0.00 C ATOM 262 CG LYS A 22 -8.626 -2.710 -6.891 1.00 0.00 C ATOM 263 CD LYS A 22 -9.083 -2.897 -8.328 1.00 0.00 C ATOM 264 CE LYS A 22 -8.995 -1.599 -9.115 1.00 0.00 C ATOM 265 NZ LYS A 22 -8.787 -1.845 -10.569 1.00 0.00 N ATOM 0 H LYS A 22 -6.085 -3.513 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.884 -3.312 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.280 -4.357 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.972 -4.787 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.426 -2.251 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.779 -2.025 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.469 -3.658 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.110 -3.262 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.910 -1.024 -8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.175 -0.994 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.732 -0.936 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.901 -2.371 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.582 -2.400 -10.944 1.00 0.00 H new ATOM 279 N GLU A 23 -7.324 -6.234 -4.382 1.00 0.00 N ATOM 280 CA GLU A 23 -7.381 -7.597 -3.867 1.00 0.00 C ATOM 281 C GLU A 23 -5.990 -8.226 -3.836 1.00 0.00 C ATOM 282 O GLU A 23 -5.179 -8.008 -4.735 1.00 0.00 O ATOM 283 CB GLU A 23 -8.318 -8.451 -4.724 1.00 0.00 C ATOM 284 CG GLU A 23 -7.723 -8.853 -6.063 1.00 0.00 C ATOM 285 CD GLU A 23 -7.644 -7.694 -7.037 1.00 0.00 C ATOM 286 OE1 GLU A 23 -8.698 -7.088 -7.326 1.00 0.00 O ATOM 287 OE2 GLU A 23 -6.529 -7.392 -7.512 1.00 0.00 O ATOM 0 H GLU A 23 -6.493 -6.026 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.766 -7.557 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.584 -9.351 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.242 -7.899 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.724 -9.259 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.325 -9.649 -6.500 1.00 0.00 H new ATOM 294 N ALA A 24 -5.724 -9.006 -2.793 1.00 0.00 N ATOM 295 CA ALA A 24 -4.433 -9.667 -2.644 1.00 0.00 C ATOM 296 C ALA A 24 -4.609 -11.152 -2.345 1.00 0.00 C ATOM 297 O ALA A 24 -5.729 -11.660 -2.308 1.00 0.00 O ATOM 298 CB ALA A 24 -3.621 -8.998 -1.546 1.00 0.00 C ATOM 0 H ALA A 24 -6.385 -9.195 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.894 -9.574 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.660 -9.502 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.457 -7.951 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.163 -9.061 -0.603 1.00 0.00 H new ATOM 304 N PHE A 25 -3.494 -11.844 -2.133 1.00 0.00 N ATOM 305 CA PHE A 25 -3.525 -13.271 -1.838 1.00 0.00 C ATOM 306 C PHE A 25 -2.458 -13.638 -0.811 1.00 0.00 C ATOM 307 O PHE A 25 -1.576 -12.836 -0.500 1.00 0.00 O ATOM 308 CB PHE A 25 -3.315 -14.082 -3.119 1.00 0.00 C ATOM 309 CG PHE A 25 -4.594 -14.415 -3.833 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.326 -13.424 -4.468 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.063 -15.718 -3.872 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.503 -13.727 -5.125 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.240 -16.027 -4.528 1.00 0.00 C ATOM 314 CZ PHE A 25 -6.960 -15.030 -5.157 1.00 0.00 C ATOM 0 H PHE A 25 -2.558 -11.439 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.503 -13.509 -1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.667 -13.521 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.794 -15.007 -2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.972 -12.404 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.502 -16.502 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.066 -12.945 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.596 -17.046 -4.549 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.878 -15.269 -5.673 1.00 0.00 H new ATOM 324 N THR A 26 -2.544 -14.857 -0.286 1.00 0.00 N ATOM 325 CA THR A 26 -1.588 -15.330 0.708 1.00 0.00 C ATOM 326 C THR A 26 -0.304 -15.818 0.046 1.00 0.00 C ATOM 327 O THR A 26 -0.342 -16.602 -0.901 1.00 0.00 O ATOM 328 CB THR A 26 -2.180 -16.470 1.558 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.735 -17.479 0.706 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.256 -15.943 2.496 1.00 0.00 C ATOM 0 H THR A 26 -3.266 -15.534 -0.533 1.00 0.00 H new ATOM 0 HA THR A 26 -1.360 -14.484 1.357 1.00 0.00 H new ATOM 0 HB THR A 26 -1.378 -16.902 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.234 -17.509 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.659 -16.766 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.824 -15.196 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.057 -15.488 1.912 1.00 0.00 H new ATOM 338 N ASN A 27 0.832 -15.350 0.554 1.00 0.00 N ATOM 339 CA ASN A 27 2.128 -15.740 0.012 1.00 0.00 C ATOM 340 C ASN A 27 2.250 -15.334 -1.454 1.00 0.00 C ATOM 341 O ASN A 27 2.962 -15.972 -2.230 1.00 0.00 O ATOM 342 CB ASN A 27 2.330 -17.250 0.152 1.00 0.00 C ATOM 343 CG ASN A 27 2.435 -17.687 1.601 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.468 -18.198 2.033 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.363 -17.488 2.358 1.00 0.00 N ATOM 0 H ASN A 27 0.881 -14.701 1.339 1.00 0.00 H new ATOM 0 HA ASN A 27 2.901 -15.222 0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.498 -17.771 -0.322 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.235 -17.544 -0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.374 -17.762 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.528 -17.061 1.957 1.00 0.00 H new ATOM 352 N LYS A 28 1.549 -14.268 -1.827 1.00 0.00 N ATOM 353 CA LYS A 28 1.579 -13.774 -3.198 1.00 0.00 C ATOM 354 C LYS A 28 2.048 -12.323 -3.244 1.00 0.00 C ATOM 355 O LYS A 28 1.750 -11.521 -2.358 1.00 0.00 O ATOM 356 CB LYS A 28 0.193 -13.893 -3.835 1.00 0.00 C ATOM 357 CG LYS A 28 -0.129 -15.291 -4.334 1.00 0.00 C ATOM 358 CD LYS A 28 -1.081 -15.255 -5.519 1.00 0.00 C ATOM 359 CE LYS A 28 -1.611 -16.641 -5.850 1.00 0.00 C ATOM 360 NZ LYS A 28 -0.557 -17.512 -6.440 1.00 0.00 N ATOM 0 H LYS A 28 0.953 -13.730 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 28 2.285 -14.384 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.560 -13.594 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.124 -13.194 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.793 -15.797 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.573 -15.873 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.915 -14.589 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.567 -14.844 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.002 -17.106 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.443 -16.554 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.958 -18.448 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.202 -17.081 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.226 -17.616 -5.764 1.00 0.00 H new ATOM 374 N PRO A 29 2.798 -11.976 -4.300 1.00 0.00 N ATOM 375 CA PRO A 29 3.322 -10.619 -4.487 1.00 0.00 C ATOM 376 C PRO A 29 2.223 -9.613 -4.812 1.00 0.00 C ATOM 377 O PRO A 29 1.575 -9.703 -5.854 1.00 0.00 O ATOM 378 CB PRO A 29 4.278 -10.769 -5.673 1.00 0.00 C ATOM 379 CG PRO A 29 3.768 -11.949 -6.425 1.00 0.00 C ATOM 380 CD PRO A 29 3.192 -12.880 -5.393 1.00 0.00 C ATOM 0 HA PRO A 29 3.798 -10.237 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.280 -9.874 -6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.303 -10.926 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.010 -11.652 -7.149 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.570 -12.433 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.338 -13.434 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.925 -13.616 -5.062 1.00 0.00 H new ATOM 388 N ASN A 30 2.019 -8.656 -3.913 1.00 0.00 N ATOM 389 CA ASN A 30 0.998 -7.632 -4.105 1.00 0.00 C ATOM 390 C ASN A 30 1.619 -6.239 -4.115 1.00 0.00 C ATOM 391 O ASN A 30 2.176 -5.789 -3.114 1.00 0.00 O ATOM 392 CB ASN A 30 -0.060 -7.724 -3.003 1.00 0.00 C ATOM 393 CG ASN A 30 -0.332 -9.155 -2.581 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.073 -9.879 -3.244 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.269 -9.568 -1.471 1.00 0.00 N ATOM 0 H ASN A 30 2.547 -8.568 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 30 0.523 -7.805 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.270 -7.149 -2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.986 -7.269 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.124 -10.521 -1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.876 -8.932 -0.953 1.00 0.00 H new ATOM 402 N VAL A 31 1.519 -5.560 -5.253 1.00 0.00 N ATOM 403 CA VAL A 31 2.069 -4.217 -5.394 1.00 0.00 C ATOM 404 C VAL A 31 1.008 -3.236 -5.879 1.00 0.00 C ATOM 405 O VAL A 31 -0.063 -3.638 -6.334 1.00 0.00 O ATOM 406 CB VAL A 31 3.257 -4.197 -6.374 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.197 -5.361 -6.098 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.762 -4.229 -7.811 1.00 0.00 C ATOM 0 H VAL A 31 1.062 -5.918 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 31 2.417 -3.913 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 31 3.812 -3.271 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.030 -5.330 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.578 -5.287 -5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.657 -6.301 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.615 -4.214 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.182 -5.137 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.134 -3.358 -7.999 1.00 0.00 H new ATOM 418 N PHE A 32 1.312 -1.946 -5.778 1.00 0.00 N ATOM 419 CA PHE A 32 0.383 -0.906 -6.206 1.00 0.00 C ATOM 420 C PHE A 32 1.135 0.346 -6.648 1.00 0.00 C ATOM 421 O PHE A 32 2.313 0.521 -6.333 1.00 0.00 O ATOM 422 CB PHE A 32 -0.585 -0.560 -5.073 1.00 0.00 C ATOM 423 CG PHE A 32 0.071 -0.488 -3.724 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.255 -1.634 -2.966 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.505 0.724 -3.213 1.00 0.00 C ATOM 426 CE1 PHE A 32 0.858 -1.571 -1.725 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.109 0.794 -1.972 1.00 0.00 C ATOM 428 CZ PHE A 32 1.286 -0.356 -1.227 1.00 0.00 C ATOM 0 H PHE A 32 2.194 -1.596 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.184 -1.287 -7.055 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.058 0.398 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.378 -1.307 -5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.077 -2.587 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.370 1.626 -3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.995 -2.471 -1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.442 1.746 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.758 -0.305 -0.257 1.00 0.00 H new ATOM 438 N THR A 33 0.446 1.215 -7.380 1.00 0.00 N ATOM 439 CA THR A 33 1.047 2.450 -7.868 1.00 0.00 C ATOM 440 C THR A 33 0.789 3.604 -6.906 1.00 0.00 C ATOM 441 O THR A 33 -0.334 3.799 -6.442 1.00 0.00 O ATOM 442 CB THR A 33 0.507 2.826 -9.260 1.00 0.00 C ATOM 443 OG1 THR A 33 0.483 1.670 -10.105 1.00 0.00 O ATOM 444 CG2 THR A 33 1.364 3.909 -9.898 1.00 0.00 C ATOM 0 H THR A 33 -0.530 1.086 -7.648 1.00 0.00 H new ATOM 0 HA THR A 33 2.120 2.273 -7.939 1.00 0.00 H new ATOM 0 HB THR A 33 -0.506 3.209 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.137 1.917 -10.988 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.963 4.158 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.357 4.798 -9.267 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.387 3.548 -10.004 1.00 0.00 H new ATOM 452 N VAL A 34 1.836 4.368 -6.611 1.00 0.00 N ATOM 453 CA VAL A 34 1.722 5.505 -5.705 1.00 0.00 C ATOM 454 C VAL A 34 2.286 6.772 -6.339 1.00 0.00 C ATOM 455 O VAL A 34 3.500 6.970 -6.382 1.00 0.00 O ATOM 456 CB VAL A 34 2.454 5.240 -4.376 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.161 6.347 -3.375 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.061 3.883 -3.813 1.00 0.00 C ATOM 0 H VAL A 34 2.773 4.220 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 34 0.660 5.644 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 34 3.527 5.231 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.687 6.143 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.497 7.302 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.089 6.391 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.588 3.712 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.986 3.860 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.328 3.102 -4.526 1.00 0.00 H new ATOM 468 N VAL A 35 1.396 7.627 -6.831 1.00 0.00 N ATOM 469 CA VAL A 35 1.804 8.877 -7.463 1.00 0.00 C ATOM 470 C VAL A 35 2.047 9.964 -6.422 1.00 0.00 C ATOM 471 O VAL A 35 1.109 10.467 -5.802 1.00 0.00 O ATOM 472 CB VAL A 35 0.747 9.370 -8.468 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.155 10.711 -9.058 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.533 8.338 -9.565 1.00 0.00 C ATOM 0 H VAL A 35 0.387 7.478 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 35 2.733 8.674 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.196 9.505 -7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.396 11.043 -9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.252 11.446 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.110 10.607 -9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.217 8.703 -10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.471 8.168 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.191 7.402 -9.123 1.00 0.00 H new ATOM 484 N THR A 36 3.312 10.326 -6.235 1.00 0.00 N ATOM 485 CA THR A 36 3.679 11.353 -5.269 1.00 0.00 C ATOM 486 C THR A 36 4.417 12.504 -5.945 1.00 0.00 C ATOM 487 O THR A 36 5.411 13.009 -5.422 1.00 0.00 O ATOM 488 CB THR A 36 4.564 10.780 -4.147 1.00 0.00 C ATOM 489 OG1 THR A 36 5.900 10.586 -4.626 1.00 0.00 O ATOM 490 CG2 THR A 36 4.006 9.459 -3.639 1.00 0.00 C ATOM 0 H THR A 36 4.100 9.922 -6.741 1.00 0.00 H new ATOM 0 HA THR A 36 2.751 11.724 -4.835 1.00 0.00 H new ATOM 0 HB THR A 36 4.574 11.494 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.333 11.457 -4.750 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.648 9.073 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.001 9.615 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.969 8.741 -4.458 1.00 0.00 H new ATOM 498 N ARG A 37 3.924 12.915 -7.108 1.00 0.00 N ATOM 499 CA ARG A 37 4.538 14.006 -7.855 1.00 0.00 C ATOM 500 C ARG A 37 4.074 15.358 -7.322 1.00 0.00 C ATOM 501 O ARG A 37 2.953 15.791 -7.588 1.00 0.00 O ATOM 502 CB ARG A 37 4.198 13.889 -9.342 1.00 0.00 C ATOM 503 CG ARG A 37 2.736 14.159 -9.657 1.00 0.00 C ATOM 504 CD ARG A 37 2.298 13.447 -10.927 1.00 0.00 C ATOM 505 NE ARG A 37 0.846 13.443 -11.079 1.00 0.00 N ATOM 506 CZ ARG A 37 0.209 12.780 -12.038 1.00 0.00 C ATOM 507 NH1 ARG A 37 0.894 12.072 -12.926 1.00 0.00 N ATOM 508 NH2 ARG A 37 -1.115 12.825 -12.111 1.00 0.00 N ATOM 0 H ARG A 37 3.101 12.509 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 37 5.618 13.936 -7.729 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.817 14.589 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.456 12.888 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.116 13.830 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.579 15.232 -9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.751 13.934 -11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.664 12.420 -10.912 1.00 0.00 H new ATOM 0 HE ARG A 37 0.290 13.979 -10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.912 12.036 -12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.403 11.564 -13.661 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.645 13.369 -11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.603 12.316 -12.848 1.00 0.00 H new ATOM 522 N GLY A 38 4.944 16.022 -6.567 1.00 0.00 N ATOM 523 CA GLY A 38 4.605 17.317 -6.007 1.00 0.00 C ATOM 524 C GLY A 38 3.904 17.205 -4.668 1.00 0.00 C ATOM 525 O GLY A 38 3.367 18.187 -4.156 1.00 0.00 O ATOM 0 H GLY A 38 5.878 15.686 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.514 17.907 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.964 17.855 -6.705 1.00 0.00 H new ATOM 529 N ALA A 39 3.907 16.003 -4.099 1.00 0.00 N ATOM 530 CA ALA A 39 3.266 15.766 -2.811 1.00 0.00 C ATOM 531 C ALA A 39 3.942 16.570 -1.706 1.00 0.00 C ATOM 532 O ALA A 39 3.278 17.241 -0.917 1.00 0.00 O ATOM 533 CB ALA A 39 3.288 14.282 -2.476 1.00 0.00 C ATOM 0 H ALA A 39 4.346 15.179 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 39 2.229 16.096 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.806 14.119 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.753 13.727 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.320 13.935 -2.429 1.00 0.00 H new ATOM 539 N GLY A 40 5.269 16.498 -1.654 1.00 0.00 N ATOM 540 CA GLY A 40 6.013 17.223 -0.641 1.00 0.00 C ATOM 541 C GLY A 40 7.439 16.729 -0.504 1.00 0.00 C ATOM 542 O GLY A 40 7.865 15.831 -1.232 1.00 0.00 O ATOM 0 H GLY A 40 5.842 15.950 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.022 18.284 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.504 17.126 0.318 1.00 0.00 H new ATOM 546 N ILE A 41 8.180 17.317 0.430 1.00 0.00 N ATOM 547 CA ILE A 41 9.567 16.931 0.658 1.00 0.00 C ATOM 548 C ILE A 41 9.739 16.286 2.029 1.00 0.00 C ATOM 549 O ILE A 41 10.215 16.920 2.970 1.00 0.00 O ATOM 550 CB ILE A 41 10.513 18.141 0.550 1.00 0.00 C ATOM 551 CG1 ILE A 41 10.342 18.831 -0.805 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.957 17.705 0.750 1.00 0.00 C ATOM 553 CD1 ILE A 41 10.929 20.224 -0.852 1.00 0.00 C ATOM 0 H ILE A 41 7.843 18.062 1.040 1.00 0.00 H new ATOM 0 HA ILE A 41 9.825 16.208 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 41 10.257 18.854 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.813 18.221 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.280 18.885 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.613 18.572 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 41 12.068 17.255 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.226 16.975 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.771 20.652 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.442 20.850 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.998 20.176 -0.644 1.00 0.00 H new ATOM 565 N GLY A 42 9.351 15.019 2.134 1.00 0.00 N ATOM 566 CA GLY A 42 9.472 14.308 3.394 1.00 0.00 C ATOM 567 C GLY A 42 9.851 12.852 3.204 1.00 0.00 C ATOM 568 O GLY A 42 10.726 12.531 2.401 1.00 0.00 O ATOM 0 H GLY A 42 8.955 14.472 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.223 14.798 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.527 14.367 3.933 1.00 0.00 H new ATOM 572 N GLY A 43 9.190 11.968 3.946 1.00 0.00 N ATOM 573 CA GLY A 43 9.478 10.550 3.842 1.00 0.00 C ATOM 574 C GLY A 43 8.221 9.704 3.806 1.00 0.00 C ATOM 575 O GLY A 43 7.332 9.865 4.643 1.00 0.00 O ATOM 0 H GLY A 43 8.461 12.209 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.062 10.366 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.094 10.244 4.688 1.00 0.00 H new ATOM 579 N LEU A 44 8.144 8.801 2.835 1.00 0.00 N ATOM 580 CA LEU A 44 6.985 7.927 2.693 1.00 0.00 C ATOM 581 C LEU A 44 7.102 6.714 3.609 1.00 0.00 C ATOM 582 O LEU A 44 8.163 6.098 3.709 1.00 0.00 O ATOM 583 CB LEU A 44 6.841 7.471 1.240 1.00 0.00 C ATOM 584 CG LEU A 44 5.629 6.593 0.929 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.411 7.452 0.625 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.930 5.660 -0.236 1.00 0.00 C ATOM 0 H LEU A 44 8.871 8.655 2.134 1.00 0.00 H new ATOM 0 HA LEU A 44 6.098 8.491 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.796 8.356 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.742 6.924 0.961 1.00 0.00 H new ATOM 0 HG LEU A 44 5.410 5.986 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.558 6.810 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.182 8.077 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.619 8.086 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.056 5.043 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.176 6.249 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.774 5.019 0.020 1.00 0.00 H new ATOM 598 N GLY A 45 6.003 6.374 4.276 1.00 0.00 N ATOM 599 CA GLY A 45 6.003 5.234 5.174 1.00 0.00 C ATOM 600 C GLY A 45 4.820 4.314 4.943 1.00 0.00 C ATOM 601 O GLY A 45 3.699 4.620 5.352 1.00 0.00 O ATOM 0 H GLY A 45 5.113 6.868 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.928 4.672 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.989 5.587 6.205 1.00 0.00 H new ATOM 605 N ILE A 46 5.069 3.186 4.287 1.00 0.00 N ATOM 606 CA ILE A 46 4.015 2.220 4.002 1.00 0.00 C ATOM 607 C ILE A 46 4.148 0.985 4.887 1.00 0.00 C ATOM 608 O ILE A 46 5.232 0.415 5.018 1.00 0.00 O ATOM 609 CB ILE A 46 4.035 1.784 2.525 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.980 3.008 1.609 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.873 0.846 2.235 1.00 0.00 C ATOM 612 CD1 ILE A 46 3.902 2.660 0.139 1.00 0.00 C ATOM 0 H ILE A 46 5.991 2.918 3.943 1.00 0.00 H new ATOM 0 HA ILE A 46 3.067 2.715 4.213 1.00 0.00 H new ATOM 0 HB ILE A 46 4.965 1.250 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.114 3.614 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.864 3.621 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.900 0.546 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.952 -0.038 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.933 1.357 2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.866 3.576 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.780 2.080 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.003 2.072 -0.049 1.00 0.00 H new ATOM 624 N THR A 47 3.038 0.574 5.492 1.00 0.00 N ATOM 625 CA THR A 47 3.030 -0.594 6.363 1.00 0.00 C ATOM 626 C THR A 47 1.745 -1.397 6.194 1.00 0.00 C ATOM 627 O THR A 47 0.726 -0.870 5.746 1.00 0.00 O ATOM 628 CB THR A 47 3.179 -0.192 7.843 1.00 0.00 C ATOM 629 OG1 THR A 47 2.285 0.883 8.151 1.00 0.00 O ATOM 630 CG2 THR A 47 4.609 0.229 8.147 1.00 0.00 C ATOM 0 H THR A 47 2.133 1.033 5.394 1.00 0.00 H new ATOM 0 HA THR A 47 3.881 -1.210 6.073 1.00 0.00 H new ATOM 0 HB THR A 47 2.932 -1.057 8.459 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.385 1.131 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.691 0.508 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.285 -0.601 7.939 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.878 1.081 7.523 1.00 0.00 H new ATOM 638 N VAL A 48 1.799 -2.675 6.556 1.00 0.00 N ATOM 639 CA VAL A 48 0.639 -3.551 6.446 1.00 0.00 C ATOM 640 C VAL A 48 0.318 -4.208 7.784 1.00 0.00 C ATOM 641 O VAL A 48 1.207 -4.719 8.464 1.00 0.00 O ATOM 642 CB VAL A 48 0.862 -4.647 5.388 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.294 -5.636 5.392 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.039 -4.029 4.010 1.00 0.00 C ATOM 0 H VAL A 48 2.634 -3.127 6.928 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.201 -2.927 6.140 1.00 0.00 H new ATOM 0 HB VAL A 48 1.774 -5.189 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.119 -6.403 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.370 -6.103 6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.223 -5.111 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.196 -4.818 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.146 -3.461 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.903 -3.364 4.018 1.00 0.00 H new ATOM 654 N GLU A 49 -0.959 -4.191 8.154 1.00 0.00 N ATOM 655 CA GLU A 49 -1.397 -4.786 9.411 1.00 0.00 C ATOM 656 C GLU A 49 -2.408 -5.902 9.162 1.00 0.00 C ATOM 657 O GLU A 49 -3.344 -5.743 8.380 1.00 0.00 O ATOM 658 CB GLU A 49 -2.011 -3.719 10.319 1.00 0.00 C ATOM 659 CG GLU A 49 -0.985 -2.800 10.960 1.00 0.00 C ATOM 660 CD GLU A 49 -1.616 -1.771 11.878 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.723 -2.034 12.391 1.00 0.00 O ATOM 662 OE2 GLU A 49 -1.002 -0.703 12.083 1.00 0.00 O ATOM 0 H GLU A 49 -1.707 -3.772 7.602 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.524 -5.214 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.711 -3.119 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.587 -4.210 11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.271 -3.398 11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.423 -2.288 10.179 1.00 0.00 H new ATOM 669 N GLY A 50 -2.211 -7.032 9.834 1.00 0.00 N ATOM 670 CA GLY A 50 -3.112 -8.158 9.672 1.00 0.00 C ATOM 671 C GLY A 50 -2.860 -9.254 10.689 1.00 0.00 C ATOM 672 O GLY A 50 -2.101 -9.081 11.644 1.00 0.00 O ATOM 0 H GLY A 50 -1.444 -7.188 10.488 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.141 -7.812 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.001 -8.566 8.667 1.00 0.00 H new ATOM 676 N PRO A 51 -3.507 -10.411 10.491 1.00 0.00 N ATOM 677 CA PRO A 51 -3.366 -11.562 11.389 1.00 0.00 C ATOM 678 C PRO A 51 -1.986 -12.204 11.294 1.00 0.00 C ATOM 679 O PRO A 51 -1.688 -13.163 12.006 1.00 0.00 O ATOM 680 CB PRO A 51 -4.442 -12.531 10.895 1.00 0.00 C ATOM 681 CG PRO A 51 -4.649 -12.171 9.464 1.00 0.00 C ATOM 682 CD PRO A 51 -4.427 -10.687 9.374 1.00 0.00 C ATOM 0 HA PRO A 51 -3.477 -11.279 12.436 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.120 -13.567 11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.364 -12.424 11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.952 -12.709 8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.654 -12.436 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.992 -10.403 8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.361 -10.134 9.476 1.00 0.00 H new ATOM 690 N SER A 52 -1.148 -11.670 10.412 1.00 0.00 N ATOM 691 CA SER A 52 0.199 -12.193 10.223 1.00 0.00 C ATOM 692 C SER A 52 1.130 -11.115 9.677 1.00 0.00 C ATOM 693 O SER A 52 0.693 -10.197 8.984 1.00 0.00 O ATOM 694 CB SER A 52 0.175 -13.391 9.271 1.00 0.00 C ATOM 695 OG SER A 52 -0.010 -12.973 7.930 1.00 0.00 O ATOM 0 H SER A 52 -1.379 -10.875 9.817 1.00 0.00 H new ATOM 0 HA SER A 52 0.575 -12.516 11.194 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.109 -13.946 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.627 -14.071 9.557 1.00 0.00 H new ATOM 0 HG SER A 52 -0.901 -12.577 7.831 1.00 0.00 H new ATOM 701 N GLU A 53 2.415 -11.234 9.995 1.00 0.00 N ATOM 702 CA GLU A 53 3.407 -10.269 9.538 1.00 0.00 C ATOM 703 C GLU A 53 3.688 -10.442 8.048 1.00 0.00 C ATOM 704 O GLU A 53 4.073 -11.521 7.599 1.00 0.00 O ATOM 705 CB GLU A 53 4.706 -10.422 10.333 1.00 0.00 C ATOM 706 CG GLU A 53 5.618 -9.210 10.248 1.00 0.00 C ATOM 707 CD GLU A 53 6.937 -9.422 10.967 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.966 -9.277 12.207 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.939 -9.732 10.289 1.00 0.00 O ATOM 0 H GLU A 53 2.793 -11.989 10.567 1.00 0.00 H new ATOM 0 HA GLU A 53 3.005 -9.269 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.462 -10.610 11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.244 -11.297 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.812 -8.979 9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.109 -8.346 10.676 1.00 0.00 H new ATOM 716 N SER A 54 3.491 -9.370 7.286 1.00 0.00 N ATOM 717 CA SER A 54 3.718 -9.403 5.846 1.00 0.00 C ATOM 718 C SER A 54 5.051 -8.751 5.491 1.00 0.00 C ATOM 719 O SER A 54 5.421 -7.721 6.055 1.00 0.00 O ATOM 720 CB SER A 54 2.578 -8.694 5.112 1.00 0.00 C ATOM 721 OG SER A 54 1.319 -9.209 5.508 1.00 0.00 O ATOM 0 H SER A 54 3.175 -8.468 7.642 1.00 0.00 H new ATOM 0 HA SER A 54 3.749 -10.446 5.532 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.618 -7.624 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.702 -8.816 4.036 1.00 0.00 H new ATOM 0 HG SER A 54 0.607 -8.739 5.026 1.00 0.00 H new ATOM 727 N LYS A 55 5.767 -9.358 4.551 1.00 0.00 N ATOM 728 CA LYS A 55 7.059 -8.837 4.118 1.00 0.00 C ATOM 729 C LYS A 55 6.878 -7.669 3.153 1.00 0.00 C ATOM 730 O LYS A 55 6.554 -7.864 1.982 1.00 0.00 O ATOM 731 CB LYS A 55 7.878 -9.943 3.448 1.00 0.00 C ATOM 732 CG LYS A 55 8.637 -10.817 4.432 1.00 0.00 C ATOM 733 CD LYS A 55 9.224 -12.042 3.751 1.00 0.00 C ATOM 734 CE LYS A 55 10.468 -11.691 2.949 1.00 0.00 C ATOM 735 NZ LYS A 55 11.697 -11.723 3.789 1.00 0.00 N ATOM 0 H LYS A 55 5.475 -10.211 4.074 1.00 0.00 H new ATOM 0 HA LYS A 55 7.593 -8.479 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.211 -10.570 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.587 -9.490 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.437 -10.238 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.968 -11.130 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.473 -12.792 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.478 -12.486 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.576 -12.392 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.351 -10.699 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.523 -11.478 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.605 -11.036 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.823 -12.677 4.184 1.00 0.00 H new ATOM 749 N ILE A 56 7.093 -6.457 3.653 1.00 0.00 N ATOM 750 CA ILE A 56 6.956 -5.258 2.835 1.00 0.00 C ATOM 751 C ILE A 56 8.307 -4.811 2.286 1.00 0.00 C ATOM 752 O ILE A 56 9.340 -4.992 2.928 1.00 0.00 O ATOM 753 CB ILE A 56 6.331 -4.099 3.634 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.841 -4.359 3.869 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.534 -2.781 2.902 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.230 -3.459 4.920 1.00 0.00 C ATOM 0 H ILE A 56 7.363 -6.279 4.620 1.00 0.00 H new ATOM 0 HA ILE A 56 6.296 -5.515 2.007 1.00 0.00 H new ATOM 0 HB ILE A 56 6.828 -4.035 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.304 -4.224 2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.704 -5.398 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.087 -1.972 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.601 -2.593 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.060 -2.832 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.173 -3.699 5.034 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.741 -3.611 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.335 -2.418 4.613 1.00 0.00 H new ATOM 768 N ASN A 57 8.289 -4.225 1.093 1.00 0.00 N ATOM 769 CA ASN A 57 9.513 -3.750 0.457 1.00 0.00 C ATOM 770 C ASN A 57 9.237 -2.519 -0.402 1.00 0.00 C ATOM 771 O ASN A 57 8.363 -2.538 -1.269 1.00 0.00 O ATOM 772 CB ASN A 57 10.129 -4.857 -0.401 1.00 0.00 C ATOM 773 CG ASN A 57 10.885 -5.877 0.427 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.828 -5.537 1.142 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.474 -7.137 0.334 1.00 0.00 N ATOM 0 H ASN A 57 7.441 -4.068 0.548 1.00 0.00 H new ATOM 0 HA ASN A 57 10.217 -3.473 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.341 -5.360 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.805 -4.413 -1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.945 -7.868 0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.688 -7.374 -0.271 1.00 0.00 H new ATOM 782 N CYS A 58 9.988 -1.452 -0.154 1.00 0.00 N ATOM 783 CA CYS A 58 9.825 -0.212 -0.904 1.00 0.00 C ATOM 784 C CYS A 58 10.897 -0.083 -1.982 1.00 0.00 C ATOM 785 O CYS A 58 12.073 -0.356 -1.737 1.00 0.00 O ATOM 786 CB CYS A 58 9.886 0.991 0.039 1.00 0.00 C ATOM 787 SG CYS A 58 11.507 1.256 0.793 1.00 0.00 S ATOM 0 H CYS A 58 10.715 -1.421 0.560 1.00 0.00 H new ATOM 0 HA CYS A 58 8.849 -0.236 -1.389 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.603 1.887 -0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.147 0.858 0.829 1.00 0.00 H new ATOM 0 HG CYS A 58 12.418 0.660 0.083 1.00 0.00 H new ATOM 793 N ARG A 59 10.483 0.332 -3.174 1.00 0.00 N ATOM 794 CA ARG A 59 11.408 0.494 -4.290 1.00 0.00 C ATOM 795 C ARG A 59 11.411 1.937 -4.788 1.00 0.00 C ATOM 796 O ARG A 59 10.370 2.592 -4.830 1.00 0.00 O ATOM 797 CB ARG A 59 11.031 -0.450 -5.433 1.00 0.00 C ATOM 798 CG ARG A 59 11.644 -1.835 -5.305 1.00 0.00 C ATOM 799 CD ARG A 59 10.772 -2.893 -5.962 1.00 0.00 C ATOM 800 NE ARG A 59 11.014 -2.987 -7.400 1.00 0.00 N ATOM 801 CZ ARG A 59 12.066 -3.601 -7.929 1.00 0.00 C ATOM 802 NH1 ARG A 59 12.968 -4.173 -7.145 1.00 0.00 N ATOM 803 NH2 ARG A 59 12.216 -3.644 -9.247 1.00 0.00 N ATOM 0 H ARG A 59 9.514 0.562 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 59 12.410 0.247 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.946 -0.544 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.347 -0.008 -6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.633 -1.840 -5.764 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.781 -2.078 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.964 -3.860 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.722 -2.658 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 59 10.338 -2.558 -8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.856 -4.143 -6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.775 -4.644 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.523 -3.205 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.024 -4.116 -9.653 1.00 0.00 H new ATOM 817 N ASP A 60 12.588 2.424 -5.164 1.00 0.00 N ATOM 818 CA ASP A 60 12.728 3.788 -5.660 1.00 0.00 C ATOM 819 C ASP A 60 12.676 3.821 -7.184 1.00 0.00 C ATOM 820 O ASP A 60 13.416 3.103 -7.855 1.00 0.00 O ATOM 821 CB ASP A 60 14.041 4.401 -5.168 1.00 0.00 C ATOM 822 CG ASP A 60 15.195 3.420 -5.229 1.00 0.00 C ATOM 823 OD1 ASP A 60 15.388 2.669 -4.251 1.00 0.00 O ATOM 824 OD2 ASP A 60 15.907 3.404 -6.256 1.00 0.00 O ATOM 0 H ASP A 60 13.459 1.894 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 60 11.895 4.375 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.279 5.276 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.915 4.747 -4.142 1.00 0.00 H new ATOM 829 N ASN A 61 11.796 4.658 -7.724 1.00 0.00 N ATOM 830 CA ASN A 61 11.647 4.782 -9.169 1.00 0.00 C ATOM 831 C ASN A 61 12.308 6.061 -9.676 1.00 0.00 C ATOM 832 O ASN A 61 12.440 7.039 -8.940 1.00 0.00 O ATOM 833 CB ASN A 61 10.166 4.774 -9.552 1.00 0.00 C ATOM 834 CG ASN A 61 9.423 3.589 -8.966 1.00 0.00 C ATOM 835 OD1 ASN A 61 9.932 2.468 -8.954 1.00 0.00 O ATOM 836 ND2 ASN A 61 8.213 3.832 -8.477 1.00 0.00 N ATOM 0 H ASN A 61 11.176 5.260 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 61 12.141 3.929 -9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.700 5.697 -9.208 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.075 4.756 -10.638 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.666 3.074 -8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.831 4.777 -8.508 1.00 0.00 H new ATOM 843 N LYS A 62 12.721 6.045 -10.939 1.00 0.00 N ATOM 844 CA LYS A 62 13.367 7.203 -11.547 1.00 0.00 C ATOM 845 C LYS A 62 12.435 7.884 -12.544 1.00 0.00 C ATOM 846 O LYS A 62 12.881 8.410 -13.565 1.00 0.00 O ATOM 847 CB LYS A 62 14.661 6.781 -12.247 1.00 0.00 C ATOM 848 CG LYS A 62 15.772 6.391 -11.288 1.00 0.00 C ATOM 849 CD LYS A 62 17.143 6.601 -11.908 1.00 0.00 C ATOM 850 CE LYS A 62 18.243 5.999 -11.046 1.00 0.00 C ATOM 851 NZ LYS A 62 18.301 4.517 -11.178 1.00 0.00 N ATOM 0 H LYS A 62 12.620 5.243 -11.561 1.00 0.00 H new ATOM 0 HA LYS A 62 13.605 7.914 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.450 5.939 -12.906 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.007 7.600 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.690 6.981 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.657 5.345 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.168 6.149 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.325 7.668 -12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.204 6.427 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.073 6.265 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.105 4.151 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.418 4.102 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.421 4.262 -12.179 1.00 0.00 H new ATOM 865 N ASP A 63 11.142 7.871 -12.242 1.00 0.00 N ATOM 866 CA ASP A 63 10.148 8.490 -13.112 1.00 0.00 C ATOM 867 C ASP A 63 9.419 9.618 -12.387 1.00 0.00 C ATOM 868 O ASP A 63 9.563 10.789 -12.737 1.00 0.00 O ATOM 869 CB ASP A 63 9.142 7.445 -13.597 1.00 0.00 C ATOM 870 CG ASP A 63 9.785 6.381 -14.464 1.00 0.00 C ATOM 871 OD1 ASP A 63 10.000 6.646 -15.665 1.00 0.00 O ATOM 872 OD2 ASP A 63 10.073 5.284 -13.942 1.00 0.00 O ATOM 0 H ASP A 63 10.757 7.439 -11.402 1.00 0.00 H new ATOM 0 HA ASP A 63 10.667 8.911 -13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.671 6.972 -12.736 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.352 7.940 -14.161 1.00 0.00 H new ATOM 877 N GLY A 64 8.636 9.256 -11.375 1.00 0.00 N ATOM 878 CA GLY A 64 7.896 10.249 -10.619 1.00 0.00 C ATOM 879 C GLY A 64 6.826 9.630 -9.742 1.00 0.00 C ATOM 880 O GLY A 64 5.670 10.053 -9.768 1.00 0.00 O ATOM 0 H GLY A 64 8.501 8.293 -11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.588 10.817 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.433 10.955 -11.308 1.00 0.00 H new ATOM 884 N SER A 65 7.210 8.623 -8.963 1.00 0.00 N ATOM 885 CA SER A 65 6.273 7.941 -8.078 1.00 0.00 C ATOM 886 C SER A 65 7.009 6.995 -7.134 1.00 0.00 C ATOM 887 O SER A 65 8.239 6.934 -7.132 1.00 0.00 O ATOM 888 CB SER A 65 5.241 7.163 -8.897 1.00 0.00 C ATOM 889 OG SER A 65 4.306 8.038 -9.503 1.00 0.00 O ATOM 0 H SER A 65 8.163 8.262 -8.927 1.00 0.00 H new ATOM 0 HA SER A 65 5.759 8.695 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.747 6.579 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.718 6.457 -8.252 1.00 0.00 H new ATOM 0 HG SER A 65 4.556 8.966 -9.313 1.00 0.00 H new ATOM 895 N CYS A 66 6.247 6.258 -6.333 1.00 0.00 N ATOM 896 CA CYS A 66 6.825 5.315 -5.383 1.00 0.00 C ATOM 897 C CYS A 66 6.220 3.926 -5.560 1.00 0.00 C ATOM 898 O CYS A 66 5.059 3.787 -5.944 1.00 0.00 O ATOM 899 CB CYS A 66 6.604 5.802 -3.950 1.00 0.00 C ATOM 900 SG CYS A 66 7.844 6.984 -3.373 1.00 0.00 S ATOM 0 H CYS A 66 5.228 6.296 -6.323 1.00 0.00 H new ATOM 0 HA CYS A 66 7.896 5.253 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.619 6.263 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.600 4.941 -3.282 1.00 0.00 H new ATOM 0 HG CYS A 66 7.371 7.651 -2.362 1.00 0.00 H new ATOM 906 N SER A 67 7.016 2.899 -5.278 1.00 0.00 N ATOM 907 CA SER A 67 6.561 1.520 -5.411 1.00 0.00 C ATOM 908 C SER A 67 6.635 0.792 -4.072 1.00 0.00 C ATOM 909 O SER A 67 7.642 0.863 -3.369 1.00 0.00 O ATOM 910 CB SER A 67 7.403 0.781 -6.453 1.00 0.00 C ATOM 911 OG SER A 67 7.037 -0.586 -6.528 1.00 0.00 O ATOM 0 H SER A 67 7.979 2.996 -4.956 1.00 0.00 H new ATOM 0 HA SER A 67 5.522 1.536 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.273 1.249 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.459 0.864 -6.197 1.00 0.00 H new ATOM 0 HG SER A 67 7.588 -1.036 -7.202 1.00 0.00 H new ATOM 917 N ALA A 68 5.559 0.092 -3.726 1.00 0.00 N ATOM 918 CA ALA A 68 5.502 -0.651 -2.473 1.00 0.00 C ATOM 919 C ALA A 68 4.901 -2.036 -2.684 1.00 0.00 C ATOM 920 O ALA A 68 3.814 -2.173 -3.243 1.00 0.00 O ATOM 921 CB ALA A 68 4.699 0.123 -1.438 1.00 0.00 C ATOM 0 H ALA A 68 4.716 0.024 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 68 6.521 -0.778 -2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.664 -0.443 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.172 1.089 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.685 0.279 -1.806 1.00 0.00 H new ATOM 927 N GLU A 69 5.617 -3.062 -2.233 1.00 0.00 N ATOM 928 CA GLU A 69 5.154 -4.437 -2.374 1.00 0.00 C ATOM 929 C GLU A 69 5.057 -5.121 -1.014 1.00 0.00 C ATOM 930 O GLU A 69 5.830 -4.826 -0.102 1.00 0.00 O ATOM 931 CB GLU A 69 6.097 -5.225 -3.287 1.00 0.00 C ATOM 932 CG GLU A 69 7.513 -5.336 -2.749 1.00 0.00 C ATOM 933 CD GLU A 69 8.405 -4.200 -3.212 1.00 0.00 C ATOM 934 OE1 GLU A 69 7.865 -3.183 -3.696 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.641 -4.328 -3.092 1.00 0.00 O ATOM 0 H GLU A 69 6.519 -2.966 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 69 4.160 -4.414 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.694 -6.227 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.126 -4.746 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.484 -5.349 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.945 -6.285 -3.067 1.00 0.00 H new ATOM 942 N TYR A 70 4.102 -6.035 -0.885 1.00 0.00 N ATOM 943 CA TYR A 70 3.901 -6.759 0.365 1.00 0.00 C ATOM 944 C TYR A 70 3.458 -8.195 0.097 1.00 0.00 C ATOM 945 O TYR A 70 2.838 -8.484 -0.927 1.00 0.00 O ATOM 946 CB TYR A 70 2.860 -6.046 1.230 1.00 0.00 C ATOM 947 CG TYR A 70 1.463 -6.084 0.652 1.00 0.00 C ATOM 948 CD1 TYR A 70 1.048 -5.136 -0.275 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.559 -7.067 1.034 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.228 -5.167 -0.806 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.718 -7.106 0.508 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.107 -6.154 -0.411 1.00 0.00 C ATOM 953 OH TYR A 70 -2.378 -6.189 -0.936 1.00 0.00 O ATOM 0 H TYR A 70 3.455 -6.292 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 70 4.851 -6.784 0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.847 -6.503 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.161 -5.007 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.734 -4.362 -0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.859 -7.813 1.754 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.535 -4.423 -1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.408 -7.878 0.815 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.792 -5.305 -0.851 1.00 0.00 H new ATOM 963 N ILE A 71 3.781 -9.089 1.025 1.00 0.00 N ATOM 964 CA ILE A 71 3.417 -10.494 0.892 1.00 0.00 C ATOM 965 C ILE A 71 2.988 -11.080 2.233 1.00 0.00 C ATOM 966 O ILE A 71 3.808 -11.356 3.108 1.00 0.00 O ATOM 967 CB ILE A 71 4.583 -11.327 0.329 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.956 -10.842 -1.073 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.216 -12.803 0.305 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.305 -11.337 -1.545 1.00 0.00 C ATOM 0 H ILE A 71 4.294 -8.865 1.878 1.00 0.00 H new ATOM 0 HA ILE A 71 2.580 -10.539 0.195 1.00 0.00 H new ATOM 0 HB ILE A 71 5.449 -11.198 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.191 -11.169 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.954 -9.752 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.050 -13.379 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.996 -13.140 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.338 -12.950 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.503 -10.954 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.080 -10.987 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.305 -12.427 -1.567 1.00 0.00 H new ATOM 982 N PRO A 72 1.671 -11.277 2.398 1.00 0.00 N ATOM 983 CA PRO A 72 1.103 -11.835 3.629 1.00 0.00 C ATOM 984 C PRO A 72 1.445 -13.310 3.809 1.00 0.00 C ATOM 985 O PRO A 72 1.959 -13.954 2.894 1.00 0.00 O ATOM 986 CB PRO A 72 -0.405 -11.656 3.436 1.00 0.00 C ATOM 987 CG PRO A 72 -0.597 -11.621 1.959 1.00 0.00 C ATOM 988 CD PRO A 72 0.636 -10.970 1.397 1.00 0.00 C ATOM 0 HA PRO A 72 1.495 -11.342 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.962 -12.477 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.757 -10.736 3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.725 -12.627 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.491 -11.057 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.892 -11.373 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.502 -9.895 1.274 1.00 0.00 H new ATOM 996 N PHE A 73 1.157 -13.839 4.993 1.00 0.00 N ATOM 997 CA PHE A 73 1.436 -15.239 5.293 1.00 0.00 C ATOM 998 C PHE A 73 0.155 -15.981 5.663 1.00 0.00 C ATOM 999 O PHE A 73 0.125 -17.211 5.695 1.00 0.00 O ATOM 1000 CB PHE A 73 2.449 -15.347 6.434 1.00 0.00 C ATOM 1001 CG PHE A 73 3.821 -14.858 6.066 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.026 -13.537 5.702 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.905 -15.721 6.083 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.287 -13.084 5.363 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.169 -15.274 5.746 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.360 -13.954 5.384 1.00 0.00 C ATOM 0 H PHE A 73 0.731 -13.320 5.761 1.00 0.00 H new ATOM 0 HA PHE A 73 1.857 -15.699 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.085 -14.775 7.288 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.516 -16.387 6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.190 -12.853 5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.761 -16.754 6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.433 -12.051 5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.006 -15.956 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.346 -13.603 5.118 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.901 -15.224 5.942 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.185 -15.808 6.309 1.00 0.00 C ATOM 1018 C ALA A 74 -3.341 -14.996 5.736 1.00 0.00 C ATOM 1019 O ALA A 74 -3.284 -13.770 5.641 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.307 -15.908 7.822 1.00 0.00 C ATOM 0 H ALA A 74 -0.892 -14.204 5.921 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.234 -16.811 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.271 -16.346 8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.506 -16.537 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.231 -14.913 8.260 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.418 -15.693 5.343 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.609 -15.057 4.772 1.00 0.00 C ATOM 1028 C PRO A 75 -6.387 -14.250 5.806 1.00 0.00 C ATOM 1029 O PRO A 75 -6.391 -14.581 6.991 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.443 -16.242 4.281 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.012 -17.388 5.130 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.556 -17.157 5.427 1.00 0.00 C ATOM 0 HA PRO A 75 -5.354 -14.344 3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.510 -16.047 4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.263 -16.442 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.596 -17.434 6.049 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.159 -18.335 4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.283 -17.530 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.914 -17.663 4.706 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.045 -13.189 5.349 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.818 -12.352 6.248 1.00 0.00 C ATOM 1042 C GLY A 76 -7.914 -10.918 5.765 1.00 0.00 C ATOM 1043 O GLY A 76 -7.542 -10.611 4.633 1.00 0.00 O ATOM 0 H GLY A 76 -7.057 -12.894 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.821 -12.765 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.362 -12.369 7.238 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.417 -10.039 6.625 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.562 -8.629 6.280 1.00 0.00 C ATOM 1049 C ASP A 77 -7.332 -7.835 6.710 1.00 0.00 C ATOM 1050 O ASP A 77 -7.012 -7.761 7.896 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.815 -8.048 6.937 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.977 -8.500 8.375 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.187 -8.051 9.231 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -10.895 -9.304 8.644 1.00 0.00 O ATOM 0 H ASP A 77 -8.731 -10.278 7.566 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.661 -8.553 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.767 -6.960 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.693 -8.346 6.364 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.647 -7.244 5.737 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.450 -6.458 6.014 1.00 0.00 C ATOM 1061 C TYR A 78 -5.702 -4.975 5.762 1.00 0.00 C ATOM 1062 O TYR A 78 -6.549 -4.607 4.947 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.285 -6.944 5.151 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.705 -8.265 5.603 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.468 -9.426 5.577 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.395 -8.352 6.057 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.943 -10.635 5.990 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.861 -9.557 6.470 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.639 -10.696 6.435 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.111 -11.898 6.847 1.00 0.00 O ATOM 0 H TYR A 78 -6.900 -7.294 4.750 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.194 -6.590 7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.624 -7.040 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.498 -6.190 5.160 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.489 -9.382 5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.784 -7.462 6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.550 -11.528 5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.840 -9.607 6.818 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.767 -12.611 6.701 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.960 -4.128 6.466 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.100 -2.684 6.318 1.00 0.00 C ATOM 1082 C ASP A 79 -3.762 -2.042 5.963 1.00 0.00 C ATOM 1083 O ASP A 79 -2.873 -1.926 6.806 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.648 -2.068 7.607 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.164 -2.054 7.642 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.776 -3.058 7.223 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.738 -1.038 8.087 1.00 0.00 O ATOM 0 H ASP A 79 -4.255 -4.416 7.145 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.802 -2.493 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.273 -2.629 8.463 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.276 -1.048 7.706 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.626 -1.626 4.707 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.398 -0.996 4.239 1.00 0.00 C ATOM 1094 C VAL A 80 -2.330 0.464 4.673 1.00 0.00 C ATOM 1095 O VAL A 80 -3.085 1.303 4.183 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.277 -1.071 2.706 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.948 -0.491 2.245 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.435 -2.507 2.229 1.00 0.00 C ATOM 0 H VAL A 80 -4.352 -1.714 3.996 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.570 -1.545 4.688 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.077 -0.476 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.881 -0.553 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.880 0.552 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.130 -1.056 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.347 -2.541 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.658 -3.127 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.414 -2.883 2.526 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.419 0.760 5.594 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.251 2.120 6.094 1.00 0.00 C ATOM 1110 C ASN A 81 -0.214 2.879 5.271 1.00 0.00 C ATOM 1111 O ASN A 81 0.876 2.370 5.008 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.834 2.097 7.566 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.957 1.642 8.478 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.608 2.456 9.132 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.187 0.335 8.525 1.00 0.00 N ATOM 0 H ASN A 81 -0.786 0.077 6.009 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.208 2.634 6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.021 1.433 7.688 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.509 3.094 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.929 -0.031 9.121 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.621 -0.303 7.965 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.561 4.096 4.869 1.00 0.00 N ATOM 1123 CA ILE A 82 0.340 4.925 4.078 1.00 0.00 C ATOM 1124 C ILE A 82 0.350 6.364 4.584 1.00 0.00 C ATOM 1125 O ILE A 82 -0.694 7.010 4.674 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.051 4.919 2.589 1.00 0.00 C ATOM 1127 CG1 ILE A 82 0.014 3.497 2.028 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.859 5.848 1.799 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.770 3.316 0.747 1.00 0.00 C ATOM 0 H ILE A 82 -1.460 4.531 5.078 1.00 0.00 H new ATOM 0 HA ILE A 82 1.337 4.498 4.185 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.075 5.280 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.056 3.234 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.365 2.802 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.570 5.833 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.767 6.863 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.892 5.515 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.679 2.284 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.820 3.547 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.377 3.986 -0.018 1.00 0.00 H new ATOM 1141 N THR A 83 1.538 6.862 4.911 1.00 0.00 N ATOM 1142 CA THR A 83 1.685 8.225 5.407 1.00 0.00 C ATOM 1143 C THR A 83 2.846 8.937 4.722 1.00 0.00 C ATOM 1144 O THR A 83 3.798 8.300 4.270 1.00 0.00 O ATOM 1145 CB THR A 83 1.912 8.247 6.931 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.010 7.394 7.275 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.662 7.797 7.670 1.00 0.00 C ATOM 0 H THR A 83 2.413 6.342 4.841 1.00 0.00 H new ATOM 0 HA THR A 83 0.756 8.747 5.178 1.00 0.00 H new ATOM 0 HB THR A 83 2.141 9.270 7.228 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.149 7.415 8.245 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.846 7.821 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.164 8.466 7.429 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.407 6.781 7.368 1.00 0.00 H new ATOM 1155 N TYR A 84 2.761 10.261 4.649 1.00 0.00 N ATOM 1156 CA TYR A 84 3.804 11.059 4.016 1.00 0.00 C ATOM 1157 C TYR A 84 4.366 12.091 4.990 1.00 0.00 C ATOM 1158 O TYR A 84 3.764 13.140 5.216 1.00 0.00 O ATOM 1159 CB TYR A 84 3.255 11.761 2.773 1.00 0.00 C ATOM 1160 CG TYR A 84 4.311 12.068 1.735 1.00 0.00 C ATOM 1161 CD1 TYR A 84 5.106 11.058 1.205 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.515 13.366 1.285 1.00 0.00 C ATOM 1163 CE1 TYR A 84 6.072 11.334 0.257 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.478 13.650 0.336 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.254 12.631 -0.175 1.00 0.00 C ATOM 1166 OH TYR A 84 7.215 12.911 -1.119 1.00 0.00 O ATOM 0 H TYR A 84 1.981 10.804 5.020 1.00 0.00 H new ATOM 0 HA TYR A 84 4.610 10.388 3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.486 11.134 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.773 12.691 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.966 10.041 1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.910 14.167 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.682 10.538 -0.144 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.622 14.665 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 84 7.386 13.876 -1.136 1.00 0.00 H new ATOM 1176 N GLY A 85 5.525 11.784 5.564 1.00 0.00 N ATOM 1177 CA GLY A 85 6.150 12.694 6.506 1.00 0.00 C ATOM 1178 C GLY A 85 5.624 12.519 7.917 1.00 0.00 C ATOM 1179 O GLY A 85 6.378 12.190 8.832 1.00 0.00 O ATOM 0 H GLY A 85 6.042 10.922 5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.228 12.533 6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.979 13.721 6.183 1.00 0.00 H new ATOM 1183 N GLY A 86 4.325 12.741 8.094 1.00 0.00 N ATOM 1184 CA GLY A 86 3.722 12.603 9.407 1.00 0.00 C ATOM 1185 C GLY A 86 2.209 12.690 9.362 1.00 0.00 C ATOM 1186 O GLY A 86 1.570 13.033 10.356 1.00 0.00 O ATOM 0 H GLY A 86 3.680 13.014 7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.015 11.646 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.108 13.382 10.065 1.00 0.00 H new ATOM 1190 N ALA A 87 1.634 12.379 8.204 1.00 0.00 N ATOM 1191 CA ALA A 87 0.188 12.423 8.033 1.00 0.00 C ATOM 1192 C ALA A 87 -0.309 11.219 7.240 1.00 0.00 C ATOM 1193 O ALA A 87 0.457 10.582 6.515 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.223 13.717 7.346 1.00 0.00 C ATOM 0 H ALA A 87 2.149 12.094 7.371 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.271 12.388 9.021 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.306 13.736 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.089 14.567 7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.253 13.776 6.367 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.594 10.912 7.382 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.192 9.783 6.677 1.00 0.00 C ATOM 1202 C HIS A 88 -2.838 10.238 5.372 1.00 0.00 C ATOM 1203 O HIS A 88 -3.656 11.158 5.360 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.233 9.096 7.562 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.643 8.124 8.536 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.698 6.757 8.362 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.980 8.327 9.699 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -2.097 6.161 9.376 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.652 7.092 10.202 1.00 0.00 N ATOM 0 H HIS A 88 -2.241 11.428 7.978 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.400 9.072 6.441 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.789 9.856 8.111 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.949 8.573 6.928 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.752 9.282 10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.988 5.095 9.508 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.147 6.921 11.072 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.465 9.587 4.275 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.008 9.925 2.965 1.00 0.00 C ATOM 1220 C ILE A 89 -4.488 9.569 2.875 1.00 0.00 C ATOM 1221 O ILE A 89 -4.970 8.645 3.531 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.248 9.202 1.837 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.466 7.691 1.933 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.764 9.534 1.901 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.269 6.968 0.619 1.00 0.00 C ATOM 0 H ILE A 89 -1.789 8.823 4.267 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.887 11.001 2.841 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.636 9.546 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.779 7.279 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.476 7.500 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.240 9.016 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.627 10.610 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.361 9.215 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.440 5.901 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.974 7.353 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.251 7.128 0.265 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.227 10.317 2.042 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.662 10.097 1.844 1.00 0.00 C ATOM 1239 C PRO A 90 -6.953 8.801 1.096 1.00 0.00 C ATOM 1240 O PRO A 90 -6.946 8.768 -0.134 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.094 11.305 1.009 1.00 0.00 C ATOM 1242 CG PRO A 90 -5.858 11.734 0.297 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.717 11.434 1.229 1.00 0.00 C ATOM 0 HA PRO A 90 -7.194 10.003 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.884 11.039 0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.485 12.103 1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.744 11.197 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.896 12.796 0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.815 11.156 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.464 12.297 1.845 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.208 7.733 1.846 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.498 6.449 1.235 1.00 0.00 C ATOM 1253 C GLY A 91 -6.992 5.286 2.065 1.00 0.00 C ATOM 1254 O GLY A 91 -7.308 4.130 1.783 1.00 0.00 O ATOM 0 H GLY A 91 -7.219 7.734 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.575 6.351 1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.044 6.410 0.245 1.00 0.00 H new ATOM 1258 N SER A 92 -6.202 5.590 3.089 1.00 0.00 N ATOM 1259 CA SER A 92 -5.646 4.560 3.959 1.00 0.00 C ATOM 1260 C SER A 92 -6.245 4.650 5.359 1.00 0.00 C ATOM 1261 O SER A 92 -6.672 5.712 5.813 1.00 0.00 O ATOM 1262 CB SER A 92 -4.124 4.693 4.034 1.00 0.00 C ATOM 1263 OG SER A 92 -3.636 4.265 5.294 1.00 0.00 O ATOM 0 H SER A 92 -5.932 6.542 3.337 1.00 0.00 H new ATOM 0 HA SER A 92 -5.898 3.587 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.665 4.101 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.838 5.731 3.863 1.00 0.00 H new ATOM 0 HG SER A 92 -3.312 5.040 5.800 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.279 3.508 6.061 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.775 2.237 5.532 1.00 0.00 C ATOM 1271 C PRO A 93 -6.651 1.688 4.411 1.00 0.00 C ATOM 1272 O PRO A 93 -7.866 1.886 4.405 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.815 1.306 6.746 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.868 1.879 7.629 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.813 3.368 7.427 1.00 0.00 C ATOM 0 HA PRO A 93 -4.783 2.343 5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.057 0.284 6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.850 1.273 7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.851 1.486 7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.686 1.620 8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.799 3.823 7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.168 3.850 8.162 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.027 0.998 3.462 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.750 0.421 2.335 1.00 0.00 C ATOM 1285 C PHE A 94 -7.092 -1.043 2.600 1.00 0.00 C ATOM 1286 O PHE A 94 -6.216 -1.908 2.586 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.920 0.539 1.055 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.755 1.953 0.576 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.970 2.850 1.282 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.384 2.384 -0.581 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.818 4.152 0.843 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.235 3.684 -1.025 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.449 4.569 -0.312 1.00 0.00 C ATOM 0 H PHE A 94 -5.022 0.825 3.451 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.680 0.976 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.935 0.105 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.393 -0.050 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.472 2.529 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.998 1.696 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.206 4.843 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.732 4.008 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.328 5.585 -0.658 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.371 -1.311 2.842 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.829 -2.669 3.112 1.00 0.00 C ATOM 1305 C ARG A 95 -8.649 -3.557 1.884 1.00 0.00 C ATOM 1306 O ARG A 95 -9.140 -3.242 0.800 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.298 -2.659 3.537 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.927 -4.041 3.586 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.134 -4.983 4.478 1.00 0.00 C ATOM 1310 NE ARG A 95 -10.969 -6.047 5.030 1.00 0.00 N ATOM 1311 CZ ARG A 95 -11.942 -5.836 5.909 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.202 -4.607 6.333 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.658 -6.856 6.365 1.00 0.00 N ATOM 0 H ARG A 95 -9.108 -0.606 2.857 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.226 -3.075 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.380 -2.197 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.864 -2.036 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.950 -3.964 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.982 -4.453 2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.318 -5.423 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.683 -4.417 5.293 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.795 -7.004 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.654 -3.821 5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.950 -4.448 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.461 -7.803 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.405 -6.693 7.040 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.942 -4.669 2.063 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.698 -5.604 0.971 1.00 0.00 C ATOM 1329 C VAL A 96 -7.980 -7.038 1.403 1.00 0.00 C ATOM 1330 O VAL A 96 -7.359 -7.569 2.323 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.247 -5.507 0.464 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.025 -6.459 -0.702 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.916 -4.077 0.066 1.00 0.00 C ATOM 0 H VAL A 96 -7.528 -4.944 2.954 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.376 -5.332 0.162 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.577 -5.798 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.994 -6.377 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.219 -7.482 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.702 -6.201 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.887 -4.027 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.590 -3.755 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.033 -3.423 0.930 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.940 -7.683 0.722 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.326 -9.066 1.017 1.00 0.00 C ATOM 1345 C PRO A 97 -8.242 -10.066 0.628 1.00 0.00 C ATOM 1346 O PRO A 97 -8.024 -10.331 -0.555 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.578 -9.275 0.161 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.437 -8.304 -0.960 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.722 -7.111 -0.387 1.00 0.00 C ATOM 0 HA PRO A 97 -9.490 -9.225 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.639 -10.299 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.486 -9.088 0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.872 -8.739 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.412 -8.021 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.080 -6.633 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.422 -6.353 -0.036 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.565 -10.618 1.630 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.505 -11.590 1.392 1.00 0.00 C ATOM 1359 C VAL A 98 -7.056 -13.011 1.374 1.00 0.00 C ATOM 1360 O VAL A 98 -7.381 -13.576 2.418 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.403 -11.492 2.464 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.302 -12.505 2.192 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.838 -10.080 2.519 1.00 0.00 C ATOM 0 H VAL A 98 -7.732 -10.408 2.614 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.076 -11.358 0.417 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.843 -11.721 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.533 -12.421 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.721 -13.511 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.862 -12.310 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.061 -10.029 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.413 -9.820 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.635 -9.379 2.765 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.158 -13.585 0.180 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.668 -14.942 0.024 1.00 0.00 C ATOM 1375 C LYS A 99 -6.533 -15.960 0.080 1.00 0.00 C ATOM 1376 O LYS A 99 -5.358 -15.598 0.007 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.423 -15.076 -1.300 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.513 -14.035 -1.487 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.906 -13.895 -2.948 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.637 -15.131 -3.450 1.00 0.00 C ATOM 1381 NZ LYS A 99 -12.029 -15.203 -2.927 1.00 0.00 N ATOM 0 H LYS A 99 -6.894 -13.131 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.353 -15.143 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.713 -14.998 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.868 -16.070 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.388 -14.313 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.167 -13.073 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.543 -13.019 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.014 -13.729 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.659 -15.123 -4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.089 -16.024 -3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.531 -15.991 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.006 -15.356 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.524 -14.312 -3.133 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.891 -17.233 0.207 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.903 -18.303 0.270 1.00 0.00 C ATOM 1397 C ASP A 100 -5.918 -19.132 -1.011 1.00 0.00 C ATOM 1398 O ASP A 100 -6.954 -19.667 -1.404 1.00 0.00 O ATOM 1399 CB ASP A 100 -6.169 -19.202 1.478 1.00 0.00 C ATOM 1400 CG ASP A 100 -7.646 -19.482 1.677 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -8.407 -18.518 1.907 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -8.041 -20.664 1.602 1.00 0.00 O ATOM 0 H ASP A 100 -7.859 -17.549 0.268 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.918 -17.849 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.637 -20.145 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.768 -18.729 2.374 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.761 -19.233 -1.658 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.641 -19.997 -2.894 1.00 0.00 C ATOM 1409 C VAL A 101 -5.443 -21.292 -2.820 1.00 0.00 C ATOM 1410 O VAL A 101 -6.122 -21.669 -3.775 1.00 0.00 O ATOM 1411 CB VAL A 101 -3.170 -20.333 -3.205 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -3.062 -21.083 -4.524 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.328 -19.067 -3.231 1.00 0.00 C ATOM 0 H VAL A 101 -3.894 -18.795 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.040 -19.372 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.788 -20.979 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.016 -21.312 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.631 -22.010 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.461 -20.465 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.292 -19.324 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.707 -18.394 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.381 -18.575 -2.260 1.00 0.00 H new ATOM 1423 N VAL A 102 -5.359 -21.969 -1.679 1.00 0.00 N ATOM 1424 CA VAL A 102 -6.078 -23.221 -1.479 1.00 0.00 C ATOM 1425 C VAL A 102 -6.492 -23.391 -0.022 1.00 0.00 C ATOM 1426 O VAL A 102 -6.105 -22.601 0.840 1.00 0.00 O ATOM 1427 CB VAL A 102 -5.226 -24.432 -1.904 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -5.236 -24.587 -3.417 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -3.803 -24.290 -1.384 1.00 0.00 C ATOM 0 H VAL A 102 -4.800 -21.671 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.970 -23.176 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.660 -25.331 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.629 -25.447 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.259 -24.737 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.827 -23.688 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.215 -25.154 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.356 -23.383 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.817 -24.232 -0.296 1.00 0.00 H new ATOM 1439 N ASP A 103 -7.279 -24.426 0.247 1.00 0.00 N ATOM 1440 CA ASP A 103 -7.745 -24.701 1.601 1.00 0.00 C ATOM 1441 C ASP A 103 -7.070 -25.948 2.165 1.00 0.00 C ATOM 1442 O ASP A 103 -7.031 -27.003 1.531 1.00 0.00 O ATOM 1443 CB ASP A 103 -9.264 -24.878 1.616 1.00 0.00 C ATOM 1444 CG ASP A 103 -9.752 -25.779 0.498 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -9.712 -25.346 -0.673 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -10.176 -26.916 0.794 1.00 0.00 O ATOM 0 H ASP A 103 -7.608 -25.089 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.481 -23.850 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.569 -25.296 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.742 -23.902 1.527 1.00 0.00 H new ATOM 1451 N PRO A 104 -6.524 -25.826 3.384 1.00 0.00 N ATOM 1452 CA PRO A 104 -5.840 -26.933 4.060 1.00 0.00 C ATOM 1453 C PRO A 104 -6.804 -28.031 4.494 1.00 0.00 C ATOM 1454 O PRO A 104 -8.005 -27.956 4.231 1.00 0.00 O ATOM 1455 CB PRO A 104 -5.206 -26.264 5.282 1.00 0.00 C ATOM 1456 CG PRO A 104 -6.055 -25.068 5.543 1.00 0.00 C ATOM 1457 CD PRO A 104 -6.533 -24.598 4.197 1.00 0.00 C ATOM 0 HA PRO A 104 -5.121 -27.428 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.195 -26.936 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.172 -25.980 5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.896 -25.320 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -5.486 -24.288 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.530 -24.161 4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.875 -23.835 3.781 1.00 0.00 H new ATOM 1465 N SER A 105 -6.271 -29.050 5.160 1.00 0.00 N ATOM 1466 CA SER A 105 -7.085 -30.166 5.628 1.00 0.00 C ATOM 1467 C SER A 105 -6.329 -30.993 6.665 1.00 0.00 C ATOM 1468 O SER A 105 -5.161 -31.326 6.475 1.00 0.00 O ATOM 1469 CB SER A 105 -7.495 -31.055 4.452 1.00 0.00 C ATOM 1470 OG SER A 105 -8.723 -31.712 4.713 1.00 0.00 O ATOM 0 H SER A 105 -5.280 -29.126 5.388 1.00 0.00 H new ATOM 0 HA SER A 105 -7.981 -29.758 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 105 -7.587 -30.450 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.717 -31.794 4.262 1.00 0.00 H new ATOM 0 HG SER A 105 -8.964 -32.272 3.946 1.00 0.00 H new TER 1476 SER A 105