USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 991 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 66 TYR OH : rot 180:sc= -0.131 USER MOD Set 1.2: A 70 MET CE :methyl -153:sc= -2.8! (180deg=-1.32) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 11 GLN : amide:sc= -0.0321 X(o=-0.032,f=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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.64 X(o=-1.6,f=-2.1!) USER MOD Single : A 15 SER OG : rot 74:sc= 0.18 USER MOD Single : A 18 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0088) USER MOD Single : A 19 SER OG : rot 85:sc= 0.00612 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= -2.91! (180deg=-2.91!) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0478) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -120:sc= -0.182 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0035 (180deg=-0.173) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.507) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 63:sc= 0.797 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 165:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.42) USER MOD Single : A 65 LYS NZ :NH3+ -141:sc= -0.56 (180deg=-1.67!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.42 K(o=-0.42,f=-0.99) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= -0.115 (180deg=-0.806) USER MOD Single : A 78 ASN : amide:sc= -0.767 X(o=-0.77,f=-0.4) USER MOD Single : A 79 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.077) USER MOD Single : A 83 LYS NZ :NH3+ 136:sc= 0.19 (180deg=-2.53!) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0459) USER MOD Single : A 87 LYS NZ :NH3+ -112:sc= -0.636 (180deg=-2.48!) USER MOD Single : A 91 THR OG1 : rot 172:sc= -0.296 USER MOD Single : A 94 HIS : no HD1:sc= 0.258 K(o=0.26,f=-1.5!) USER MOD Single : A 98 MET CE :methyl -143:sc= 0 (180deg=-0.00482) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -51:sc= 0.587 USER MOD Single : A 106 LYS NZ :NH3+ -155:sc= -0.205 (180deg=-1.05) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 1:sc= 0.763! USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.356 2.866 -3.007 1.00 0.00 N ATOM 2 CA GLY A 1 -21.121 2.958 -2.251 1.00 0.00 C ATOM 3 C GLY A 1 -20.303 4.179 -2.622 1.00 0.00 C ATOM 4 O GLY A 1 -19.152 4.060 -3.039 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.878 2.015 -2.716 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.938 3.708 -2.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.138 2.809 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.352 2.989 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.526 2.061 -2.422 1.00 0.00 H new ATOM 8 N SER A 2 -20.900 5.357 -2.472 1.00 0.00 N ATOM 9 CA SER A 2 -20.221 6.605 -2.800 1.00 0.00 C ATOM 10 C SER A 2 -19.162 6.939 -1.754 1.00 0.00 C ATOM 11 O SER A 2 -19.437 7.637 -0.778 1.00 0.00 O ATOM 12 CB SER A 2 -21.232 7.749 -2.902 1.00 0.00 C ATOM 13 OG SER A 2 -21.769 7.840 -4.210 1.00 0.00 O ATOM 0 H SER A 2 -21.852 5.473 -2.126 1.00 0.00 H new ATOM 0 HA SER A 2 -19.728 6.479 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.038 7.591 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.749 8.690 -2.637 1.00 0.00 H new ATOM 0 HG SER A 2 -22.413 8.577 -4.248 1.00 0.00 H new ATOM 19 N SER A 3 -17.951 6.435 -1.965 1.00 0.00 N ATOM 20 CA SER A 3 -16.851 6.675 -1.039 1.00 0.00 C ATOM 21 C SER A 3 -15.643 7.256 -1.768 1.00 0.00 C ATOM 22 O SER A 3 -15.352 6.883 -2.904 1.00 0.00 O ATOM 23 CB SER A 3 -16.457 5.377 -0.332 1.00 0.00 C ATOM 24 OG SER A 3 -15.843 4.472 -1.233 1.00 0.00 O ATOM 0 H SER A 3 -17.707 5.858 -2.769 1.00 0.00 H new ATOM 0 HA SER A 3 -17.188 7.397 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.774 5.599 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.342 4.915 0.106 1.00 0.00 H new ATOM 0 HG SER A 3 -15.599 3.651 -0.757 1.00 0.00 H new ATOM 30 N GLY A 4 -14.944 8.173 -1.106 1.00 0.00 N ATOM 31 CA GLY A 4 -13.776 8.792 -1.706 1.00 0.00 C ATOM 32 C GLY A 4 -14.140 9.783 -2.794 1.00 0.00 C ATOM 33 O GLY A 4 -14.517 9.393 -3.899 1.00 0.00 O ATOM 0 H GLY A 4 -15.166 8.498 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.201 9.301 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.133 8.018 -2.124 1.00 0.00 H new ATOM 37 N SER A 5 -14.029 11.070 -2.480 1.00 0.00 N ATOM 38 CA SER A 5 -14.354 12.121 -3.437 1.00 0.00 C ATOM 39 C SER A 5 -13.606 13.409 -3.105 1.00 0.00 C ATOM 40 O SER A 5 -13.139 13.596 -1.982 1.00 0.00 O ATOM 41 CB SER A 5 -15.861 12.382 -3.448 1.00 0.00 C ATOM 42 OG SER A 5 -16.325 12.744 -2.159 1.00 0.00 O ATOM 0 H SER A 5 -13.717 11.410 -1.570 1.00 0.00 H new ATOM 0 HA SER A 5 -14.043 11.786 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.090 13.177 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.385 11.490 -3.789 1.00 0.00 H new ATOM 0 HG SER A 5 -17.291 12.907 -2.193 1.00 0.00 H new ATOM 48 N SER A 6 -13.497 14.293 -4.091 1.00 0.00 N ATOM 49 CA SER A 6 -12.803 15.562 -3.907 1.00 0.00 C ATOM 50 C SER A 6 -13.350 16.309 -2.694 1.00 0.00 C ATOM 51 O SER A 6 -14.528 16.194 -2.360 1.00 0.00 O ATOM 52 CB SER A 6 -12.940 16.430 -5.159 1.00 0.00 C ATOM 53 OG SER A 6 -14.234 17.003 -5.243 1.00 0.00 O ATOM 0 H SER A 6 -13.880 14.154 -5.026 1.00 0.00 H new ATOM 0 HA SER A 6 -11.748 15.349 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.189 17.220 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.747 15.827 -6.046 1.00 0.00 H new ATOM 0 HG SER A 6 -14.296 17.555 -6.051 1.00 0.00 H new ATOM 59 N GLY A 7 -12.484 17.076 -2.038 1.00 0.00 N ATOM 60 CA GLY A 7 -12.898 17.831 -0.870 1.00 0.00 C ATOM 61 C GLY A 7 -11.963 17.636 0.307 1.00 0.00 C ATOM 62 O GLY A 7 -10.996 18.380 0.471 1.00 0.00 O ATOM 0 H GLY A 7 -11.503 17.188 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.943 18.890 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.905 17.529 -0.584 1.00 0.00 H new ATOM 66 N SER A 8 -12.252 16.632 1.130 1.00 0.00 N ATOM 67 CA SER A 8 -11.434 16.345 2.302 1.00 0.00 C ATOM 68 C SER A 8 -10.318 15.363 1.957 1.00 0.00 C ATOM 69 O SER A 8 -10.533 14.152 1.916 1.00 0.00 O ATOM 70 CB SER A 8 -12.299 15.776 3.428 1.00 0.00 C ATOM 71 OG SER A 8 -13.087 16.790 4.027 1.00 0.00 O ATOM 0 H SER A 8 -13.046 16.004 1.006 1.00 0.00 H new ATOM 0 HA SER A 8 -10.983 17.279 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.947 14.993 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.662 15.313 4.182 1.00 0.00 H new ATOM 0 HG SER A 8 -13.632 16.401 4.742 1.00 0.00 H new ATOM 77 N ALA A 9 -9.125 15.894 1.711 1.00 0.00 N ATOM 78 CA ALA A 9 -7.975 15.066 1.371 1.00 0.00 C ATOM 79 C ALA A 9 -7.939 13.801 2.223 1.00 0.00 C ATOM 80 O ALA A 9 -7.868 12.690 1.697 1.00 0.00 O ATOM 81 CB ALA A 9 -6.686 15.856 1.543 1.00 0.00 C ATOM 0 H ALA A 9 -8.930 16.895 1.741 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.069 14.768 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.835 15.225 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.703 16.727 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.595 16.183 2.579 1.00 0.00 H new ATOM 87 N ASP A 10 -7.989 13.977 3.538 1.00 0.00 N ATOM 88 CA ASP A 10 -7.963 12.850 4.462 1.00 0.00 C ATOM 89 C ASP A 10 -8.926 11.755 4.012 1.00 0.00 C ATOM 90 O ASP A 10 -8.575 10.576 3.997 1.00 0.00 O ATOM 91 CB ASP A 10 -8.323 13.312 5.875 1.00 0.00 C ATOM 92 CG ASP A 10 -7.512 14.516 6.314 1.00 0.00 C ATOM 93 OD1 ASP A 10 -7.591 15.562 5.637 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.799 14.411 7.334 1.00 0.00 O ATOM 0 H ASP A 10 -8.048 14.890 3.989 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.953 12.441 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.384 13.558 5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.160 12.493 6.575 1.00 0.00 H new ATOM 99 N GLN A 11 -10.139 12.155 3.646 1.00 0.00 N ATOM 100 CA GLN A 11 -11.152 11.208 3.197 1.00 0.00 C ATOM 101 C GLN A 11 -10.635 10.369 2.033 1.00 0.00 C ATOM 102 O GLN A 11 -10.771 9.145 2.029 1.00 0.00 O ATOM 103 CB GLN A 11 -12.425 11.948 2.782 1.00 0.00 C ATOM 104 CG GLN A 11 -13.659 11.061 2.743 1.00 0.00 C ATOM 105 CD GLN A 11 -14.879 11.783 2.205 1.00 0.00 C ATOM 106 OE1 GLN A 11 -15.753 12.201 2.965 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.945 11.933 0.887 1.00 0.00 N ATOM 0 H GLN A 11 -10.444 13.128 3.652 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.383 10.541 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.600 12.770 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.274 12.390 1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.455 10.188 2.123 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.871 10.696 3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.198 11.571 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.743 12.410 0.467 1.00 0.00 H new ATOM 116 N ILE A 12 -10.044 11.035 1.047 1.00 0.00 N ATOM 117 CA ILE A 12 -9.506 10.350 -0.122 1.00 0.00 C ATOM 118 C ILE A 12 -8.516 9.264 0.284 1.00 0.00 C ATOM 119 O ILE A 12 -8.727 8.083 0.008 1.00 0.00 O ATOM 120 CB ILE A 12 -8.807 11.334 -1.078 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.791 12.407 -1.550 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.218 10.589 -2.267 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.184 13.400 -2.517 1.00 0.00 C ATOM 0 H ILE A 12 -9.926 12.048 1.034 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.351 9.893 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.994 11.823 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.643 11.923 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.174 12.944 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.727 11.298 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.490 9.859 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.015 10.076 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.938 14.131 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.350 13.912 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.826 12.874 -3.402 1.00 0.00 H new ATOM 135 N ARG A 13 -7.437 9.671 0.944 1.00 0.00 N ATOM 136 CA ARG A 13 -6.414 8.732 1.389 1.00 0.00 C ATOM 137 C ARG A 13 -7.042 7.556 2.131 1.00 0.00 C ATOM 138 O ARG A 13 -6.732 6.398 1.852 1.00 0.00 O ATOM 139 CB ARG A 13 -5.403 9.438 2.295 1.00 0.00 C ATOM 140 CG ARG A 13 -4.838 10.716 1.696 1.00 0.00 C ATOM 141 CD ARG A 13 -3.717 11.283 2.552 1.00 0.00 C ATOM 142 NE ARG A 13 -4.226 12.116 3.639 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.463 12.606 4.610 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.162 12.346 4.629 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.000 13.356 5.563 1.00 0.00 N ATOM 0 H ARG A 13 -7.248 10.645 1.183 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.898 8.351 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.882 9.673 3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.582 8.754 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.465 10.515 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.633 11.456 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.129 10.465 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.046 11.873 1.927 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.222 12.333 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.746 11.769 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.577 12.723 5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.000 13.557 5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.413 13.732 6.308 1.00 0.00 H new ATOM 159 N GLN A 14 -7.926 7.862 3.076 1.00 0.00 N ATOM 160 CA GLN A 14 -8.596 6.829 3.858 1.00 0.00 C ATOM 161 C GLN A 14 -9.203 5.766 2.948 1.00 0.00 C ATOM 162 O GLN A 14 -8.930 4.576 3.101 1.00 0.00 O ATOM 163 CB GLN A 14 -9.685 7.450 4.734 1.00 0.00 C ATOM 164 CG GLN A 14 -10.417 6.440 5.602 1.00 0.00 C ATOM 165 CD GLN A 14 -11.569 5.773 4.877 1.00 0.00 C ATOM 166 OE1 GLN A 14 -11.421 4.686 4.319 1.00 0.00 O ATOM 167 NE2 GLN A 14 -12.727 6.424 4.881 1.00 0.00 N ATOM 0 H GLN A 14 -8.195 8.816 3.318 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.853 6.352 4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.236 8.209 5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.407 7.959 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.714 5.678 5.937 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.795 6.940 6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.805 7.323 5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.538 6.025 4.409 1.00 0.00 H new ATOM 176 N SER A 15 -10.028 6.204 2.003 1.00 0.00 N ATOM 177 CA SER A 15 -10.678 5.289 1.072 1.00 0.00 C ATOM 178 C SER A 15 -9.653 4.385 0.394 1.00 0.00 C ATOM 179 O SER A 15 -9.832 3.170 0.319 1.00 0.00 O ATOM 180 CB SER A 15 -11.460 6.073 0.016 1.00 0.00 C ATOM 181 OG SER A 15 -12.444 6.896 0.618 1.00 0.00 O ATOM 0 H SER A 15 -10.262 7.187 1.862 1.00 0.00 H new ATOM 0 HA SER A 15 -11.370 4.665 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.774 6.688 -0.567 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.936 5.380 -0.678 1.00 0.00 H new ATOM 0 HG SER A 15 -12.011 7.662 1.050 1.00 0.00 H new ATOM 187 N VAL A 16 -8.575 4.989 -0.099 1.00 0.00 N ATOM 188 CA VAL A 16 -7.520 4.240 -0.770 1.00 0.00 C ATOM 189 C VAL A 16 -7.115 3.014 0.040 1.00 0.00 C ATOM 190 O VAL A 16 -7.063 1.901 -0.482 1.00 0.00 O ATOM 191 CB VAL A 16 -6.276 5.116 -1.011 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.169 4.304 -1.666 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.634 6.327 -1.860 1.00 0.00 C ATOM 0 H VAL A 16 -8.410 5.994 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.922 3.920 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.911 5.471 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.299 4.940 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.895 3.472 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.519 3.917 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.744 6.935 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.025 5.994 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.391 6.920 -1.347 1.00 0.00 H new ATOM 203 N ARG A 17 -6.828 3.227 1.321 1.00 0.00 N ATOM 204 CA ARG A 17 -6.427 2.139 2.205 1.00 0.00 C ATOM 205 C ARG A 17 -7.493 1.048 2.243 1.00 0.00 C ATOM 206 O ARG A 17 -7.267 -0.072 1.783 1.00 0.00 O ATOM 207 CB ARG A 17 -6.173 2.668 3.617 1.00 0.00 C ATOM 208 CG ARG A 17 -5.375 3.962 3.649 1.00 0.00 C ATOM 209 CD ARG A 17 -4.845 4.255 5.043 1.00 0.00 C ATOM 210 NE ARG A 17 -5.795 5.030 5.838 1.00 0.00 N ATOM 211 CZ ARG A 17 -6.799 4.488 6.518 1.00 0.00 C ATOM 212 NH1 ARG A 17 -6.983 3.175 6.500 1.00 0.00 N ATOM 213 NH2 ARG A 17 -7.621 5.259 7.217 1.00 0.00 N ATOM 0 H ARG A 17 -6.866 4.143 1.769 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.505 1.708 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.130 2.829 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.641 1.909 4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.542 3.895 2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.005 4.787 3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.627 3.316 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.905 4.802 4.966 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.681 6.043 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.353 2.579 5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.755 2.761 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.483 6.269 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.392 4.842 7.739 1.00 0.00 H new ATOM 227 N HIS A 18 -8.655 1.382 2.794 1.00 0.00 N ATOM 228 CA HIS A 18 -9.757 0.431 2.892 1.00 0.00 C ATOM 229 C HIS A 18 -9.913 -0.355 1.594 1.00 0.00 C ATOM 230 O HIS A 18 -9.911 -1.586 1.598 1.00 0.00 O ATOM 231 CB HIS A 18 -11.060 1.159 3.221 1.00 0.00 C ATOM 232 CG HIS A 18 -12.135 0.257 3.745 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.693 0.399 4.998 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.756 -0.803 3.176 1.00 0.00 C ATOM 235 CE1 HIS A 18 -13.609 -0.535 5.178 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.667 -1.277 4.087 1.00 0.00 N ATOM 0 H HIS A 18 -8.858 2.304 3.180 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.529 -0.270 3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.857 1.935 3.959 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.423 1.660 2.324 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.569 -1.201 2.190 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.209 -0.669 6.066 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.288 -2.073 3.944 1.00 0.00 H new ATOM 245 N SER A 19 -10.050 0.365 0.485 1.00 0.00 N ATOM 246 CA SER A 19 -10.212 -0.265 -0.820 1.00 0.00 C ATOM 247 C SER A 19 -9.172 -1.363 -1.027 1.00 0.00 C ATOM 248 O SER A 19 -9.515 -2.522 -1.262 1.00 0.00 O ATOM 249 CB SER A 19 -10.095 0.779 -1.932 1.00 0.00 C ATOM 250 OG SER A 19 -11.272 1.563 -2.021 1.00 0.00 O ATOM 0 H SER A 19 -10.052 1.385 0.464 1.00 0.00 H new ATOM 0 HA SER A 19 -11.204 -0.716 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.238 1.425 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.913 0.281 -2.885 1.00 0.00 H new ATOM 0 HG SER A 19 -11.226 2.297 -1.374 1.00 0.00 H new ATOM 256 N LEU A 20 -7.901 -0.989 -0.937 1.00 0.00 N ATOM 257 CA LEU A 20 -6.809 -1.940 -1.113 1.00 0.00 C ATOM 258 C LEU A 20 -7.032 -3.188 -0.265 1.00 0.00 C ATOM 259 O LEU A 20 -6.900 -4.313 -0.749 1.00 0.00 O ATOM 260 CB LEU A 20 -5.475 -1.290 -0.744 1.00 0.00 C ATOM 261 CG LEU A 20 -4.951 -0.234 -1.717 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.815 0.557 -1.086 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.493 -0.884 -3.014 1.00 0.00 C ATOM 0 H LEU A 20 -7.601 -0.034 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.783 -2.236 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.577 -0.830 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.724 -2.075 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.764 0.455 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.455 1.304 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.174 1.054 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.001 -0.120 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.123 -0.117 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.696 -1.596 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.332 -1.405 -3.476 1.00 0.00 H new ATOM 275 N LYS A 21 -7.373 -2.983 1.002 1.00 0.00 N ATOM 276 CA LYS A 21 -7.619 -4.090 1.919 1.00 0.00 C ATOM 277 C LYS A 21 -8.799 -4.934 1.448 1.00 0.00 C ATOM 278 O LYS A 21 -8.836 -6.145 1.669 1.00 0.00 O ATOM 279 CB LYS A 21 -7.886 -3.562 3.330 1.00 0.00 C ATOM 280 CG LYS A 21 -7.805 -4.632 4.405 1.00 0.00 C ATOM 281 CD LYS A 21 -7.879 -4.029 5.798 1.00 0.00 C ATOM 282 CE LYS A 21 -9.291 -3.577 6.135 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.450 -3.293 7.589 1.00 0.00 N ATOM 0 H LYS A 21 -7.486 -2.059 1.418 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.729 -4.719 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.166 -2.776 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.876 -3.106 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.619 -5.345 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.874 -5.188 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.546 -4.763 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.198 -3.180 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.533 -2.682 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.001 -4.348 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.426 -2.988 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.244 -4.154 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.791 -2.539 7.870 1.00 0.00 H new ATOM 297 N ASP A 22 -9.761 -4.288 0.799 1.00 0.00 N ATOM 298 CA ASP A 22 -10.941 -4.980 0.295 1.00 0.00 C ATOM 299 C ASP A 22 -10.554 -6.038 -0.733 1.00 0.00 C ATOM 300 O ASP A 22 -10.907 -7.210 -0.595 1.00 0.00 O ATOM 301 CB ASP A 22 -11.918 -3.980 -0.328 1.00 0.00 C ATOM 302 CG ASP A 22 -13.343 -4.497 -0.346 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.767 -5.102 0.661 1.00 0.00 O ATOM 304 OD2 ASP A 22 -14.034 -4.295 -1.366 1.00 0.00 O ATOM 0 H ASP A 22 -9.747 -3.286 0.610 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.426 -5.476 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.881 -3.045 0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.603 -3.756 -1.347 1.00 0.00 H new ATOM 309 N ILE A 23 -9.827 -5.618 -1.763 1.00 0.00 N ATOM 310 CA ILE A 23 -9.392 -6.530 -2.813 1.00 0.00 C ATOM 311 C ILE A 23 -8.560 -7.672 -2.239 1.00 0.00 C ATOM 312 O ILE A 23 -8.925 -8.842 -2.360 1.00 0.00 O ATOM 313 CB ILE A 23 -8.567 -5.798 -3.888 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.486 -4.986 -4.803 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.750 -6.794 -4.698 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.819 -3.768 -5.402 1.00 0.00 C ATOM 0 H ILE A 23 -9.527 -4.652 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.293 -6.936 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.880 -5.112 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.843 -5.628 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.362 -4.669 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.172 -6.262 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.072 -7.332 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.420 -7.502 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.529 -3.241 -6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.487 -3.105 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.960 -4.079 -5.996 1.00 0.00 H new ATOM 328 N LEU A 24 -7.441 -7.325 -1.613 1.00 0.00 N ATOM 329 CA LEU A 24 -6.556 -8.321 -1.018 1.00 0.00 C ATOM 330 C LEU A 24 -7.322 -9.223 -0.055 1.00 0.00 C ATOM 331 O LEU A 24 -6.960 -10.382 0.145 1.00 0.00 O ATOM 332 CB LEU A 24 -5.403 -7.634 -0.284 1.00 0.00 C ATOM 333 CG LEU A 24 -4.621 -6.594 -1.087 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.780 -5.728 -0.162 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.744 -7.273 -2.129 1.00 0.00 C ATOM 0 H LEU A 24 -7.125 -6.361 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.151 -8.938 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.803 -7.150 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.706 -8.401 0.055 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.334 -5.952 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.230 -4.994 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.430 -5.213 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.076 -6.356 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.195 -6.517 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.039 -7.940 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.369 -7.849 -2.811 1.00 0.00 H new ATOM 347 N MET A 25 -8.382 -8.683 0.536 1.00 0.00 N ATOM 348 CA MET A 25 -9.201 -9.440 1.476 1.00 0.00 C ATOM 349 C MET A 25 -9.956 -10.557 0.761 1.00 0.00 C ATOM 350 O MET A 25 -10.206 -11.617 1.334 1.00 0.00 O ATOM 351 CB MET A 25 -10.189 -8.514 2.186 1.00 0.00 C ATOM 352 CG MET A 25 -9.644 -7.917 3.474 1.00 0.00 C ATOM 353 SD MET A 25 -9.998 -8.937 4.917 1.00 0.00 S ATOM 354 CE MET A 25 -8.374 -9.610 5.262 1.00 0.00 C ATOM 0 H MET A 25 -8.694 -7.724 0.381 1.00 0.00 H new ATOM 0 HA MET A 25 -8.539 -9.889 2.217 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.467 -7.706 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.099 -9.070 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.566 -7.787 3.382 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.073 -6.926 3.620 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.429 -10.265 6.132 1.00 0.00 H new ATOM 0 HE2 MET A 25 -8.026 -10.180 4.400 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.678 -8.796 5.464 1.00 0.00 H new ATOM 364 N LYS A 26 -10.319 -10.311 -0.493 1.00 0.00 N ATOM 365 CA LYS A 26 -11.045 -11.295 -1.287 1.00 0.00 C ATOM 366 C LYS A 26 -10.082 -12.159 -2.096 1.00 0.00 C ATOM 367 O LYS A 26 -10.352 -13.333 -2.351 1.00 0.00 O ATOM 368 CB LYS A 26 -12.031 -10.596 -2.226 1.00 0.00 C ATOM 369 CG LYS A 26 -12.397 -11.421 -3.448 1.00 0.00 C ATOM 370 CD LYS A 26 -11.422 -11.190 -4.590 1.00 0.00 C ATOM 371 CE LYS A 26 -11.740 -9.908 -5.344 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.928 -10.065 -6.228 1.00 0.00 N ATOM 0 H LYS A 26 -10.122 -9.438 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.598 -11.940 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.940 -10.358 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.600 -9.650 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.406 -12.479 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.406 -11.165 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.406 -11.140 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.458 -12.036 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.921 -9.103 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.878 -9.615 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.012 -9.234 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.818 -10.920 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.785 -10.151 -5.645 1.00 0.00 H new ATOM 386 N ARG A 27 -8.959 -11.572 -2.494 1.00 0.00 N ATOM 387 CA ARG A 27 -7.956 -12.289 -3.273 1.00 0.00 C ATOM 388 C ARG A 27 -7.223 -13.309 -2.407 1.00 0.00 C ATOM 389 O ARG A 27 -6.828 -14.374 -2.883 1.00 0.00 O ATOM 390 CB ARG A 27 -6.954 -11.306 -3.882 1.00 0.00 C ATOM 391 CG ARG A 27 -7.599 -10.237 -4.748 1.00 0.00 C ATOM 392 CD ARG A 27 -7.990 -10.786 -6.112 1.00 0.00 C ATOM 393 NE ARG A 27 -6.827 -11.229 -6.876 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.900 -12.067 -7.905 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.074 -12.548 -8.290 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.797 -12.424 -8.551 1.00 0.00 N ATOM 0 H ARG A 27 -8.720 -10.602 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.467 -12.820 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.397 -10.824 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.232 -11.861 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.483 -9.845 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.908 -9.404 -4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.679 -11.621 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.522 -10.018 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.909 -10.876 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.924 -12.275 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.127 -13.191 -9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.892 -12.055 -8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.854 -13.067 -9.341 1.00 0.00 H new ATOM 410 N LEU A 28 -7.043 -12.976 -1.134 1.00 0.00 N ATOM 411 CA LEU A 28 -6.356 -13.862 -0.201 1.00 0.00 C ATOM 412 C LEU A 28 -7.296 -14.950 0.309 1.00 0.00 C ATOM 413 O LEU A 28 -6.900 -16.106 0.466 1.00 0.00 O ATOM 414 CB LEU A 28 -5.797 -13.062 0.977 1.00 0.00 C ATOM 415 CG LEU A 28 -6.733 -12.887 2.174 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.818 -14.176 2.977 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.264 -11.738 3.054 1.00 0.00 C ATOM 0 H LEU A 28 -7.363 -12.099 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.532 -14.339 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.886 -13.550 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.512 -12.074 0.617 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.729 -12.649 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.488 -14.033 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.201 -14.975 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.826 -14.445 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.942 -11.628 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.258 -11.946 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.256 -10.815 2.474 1.00 0.00 H new ATOM 429 N THR A 29 -8.545 -14.573 0.565 1.00 0.00 N ATOM 430 CA THR A 29 -9.542 -15.516 1.056 1.00 0.00 C ATOM 431 C THR A 29 -9.831 -16.599 0.022 1.00 0.00 C ATOM 432 O THR A 29 -10.245 -17.705 0.367 1.00 0.00 O ATOM 433 CB THR A 29 -10.859 -14.804 1.418 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.575 -15.566 2.397 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.726 -14.610 0.184 1.00 0.00 C ATOM 0 H THR A 29 -8.890 -13.621 0.440 1.00 0.00 H new ATOM 0 HA THR A 29 -9.127 -15.975 1.953 1.00 0.00 H new ATOM 0 HB THR A 29 -10.616 -13.824 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.410 -15.106 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.650 -14.105 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 29 -11.189 -14.004 -0.546 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.961 -15.581 -0.252 1.00 0.00 H new ATOM 443 N ASP A 30 -9.609 -16.273 -1.246 1.00 0.00 N ATOM 444 CA ASP A 30 -9.844 -17.219 -2.331 1.00 0.00 C ATOM 445 C ASP A 30 -8.646 -18.145 -2.514 1.00 0.00 C ATOM 446 O ASP A 30 -8.801 -19.359 -2.642 1.00 0.00 O ATOM 447 CB ASP A 30 -10.131 -16.472 -3.635 1.00 0.00 C ATOM 448 CG ASP A 30 -10.695 -17.379 -4.710 1.00 0.00 C ATOM 449 OD1 ASP A 30 -9.900 -18.079 -5.372 1.00 0.00 O ATOM 450 OD2 ASP A 30 -11.930 -17.390 -4.889 1.00 0.00 O ATOM 0 H ASP A 30 -9.267 -15.361 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.712 -17.825 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.835 -15.664 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.211 -16.013 -3.997 1.00 0.00 H new ATOM 455 N SER A 31 -7.451 -17.562 -2.526 1.00 0.00 N ATOM 456 CA SER A 31 -6.226 -18.335 -2.698 1.00 0.00 C ATOM 457 C SER A 31 -5.905 -19.131 -1.438 1.00 0.00 C ATOM 458 O SER A 31 -6.641 -19.081 -0.454 1.00 0.00 O ATOM 459 CB SER A 31 -5.058 -17.408 -3.042 1.00 0.00 C ATOM 460 OG SER A 31 -5.144 -16.955 -4.382 1.00 0.00 O ATOM 0 H SER A 31 -7.305 -16.558 -2.419 1.00 0.00 H new ATOM 0 HA SER A 31 -6.379 -19.035 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.056 -16.553 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.115 -17.935 -2.893 1.00 0.00 H new ATOM 0 HG SER A 31 -4.345 -17.237 -4.874 1.00 0.00 H new ATOM 466 N ASN A 32 -4.798 -19.866 -1.476 1.00 0.00 N ATOM 467 CA ASN A 32 -4.377 -20.675 -0.338 1.00 0.00 C ATOM 468 C ASN A 32 -3.371 -19.919 0.525 1.00 0.00 C ATOM 469 O ASN A 32 -2.320 -20.452 0.883 1.00 0.00 O ATOM 470 CB ASN A 32 -3.765 -21.992 -0.819 1.00 0.00 C ATOM 471 CG ASN A 32 -4.682 -22.744 -1.765 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.902 -22.737 -1.600 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.096 -23.398 -2.761 1.00 0.00 N ATOM 0 H ASN A 32 -4.176 -19.918 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.258 -20.891 0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.819 -21.788 -1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.541 -22.621 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.661 -23.923 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.081 -23.376 -2.858 1.00 0.00 H new ATOM 480 N LEU A 33 -3.700 -18.675 0.855 1.00 0.00 N ATOM 481 CA LEU A 33 -2.826 -17.845 1.677 1.00 0.00 C ATOM 482 C LEU A 33 -3.120 -18.046 3.160 1.00 0.00 C ATOM 483 O LEU A 33 -2.208 -18.241 3.964 1.00 0.00 O ATOM 484 CB LEU A 33 -2.996 -16.370 1.307 1.00 0.00 C ATOM 485 CG LEU A 33 -2.123 -15.861 0.160 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.648 -14.532 -0.361 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.676 -15.724 0.611 1.00 0.00 C ATOM 0 H LEU A 33 -4.565 -18.219 0.566 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.796 -18.145 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.040 -16.200 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.787 -15.768 2.191 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.163 -16.588 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.014 -14.185 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.668 -14.661 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.639 -13.797 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.069 -15.361 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.618 -15.018 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.303 -16.695 0.935 1.00 0.00 H new ATOM 499 N LYS A 34 -4.399 -18.000 3.516 1.00 0.00 N ATOM 500 CA LYS A 34 -4.815 -18.181 4.902 1.00 0.00 C ATOM 501 C LYS A 34 -4.100 -17.193 5.818 1.00 0.00 C ATOM 502 O LYS A 34 -3.883 -17.470 6.997 1.00 0.00 O ATOM 503 CB LYS A 34 -4.530 -19.614 5.358 1.00 0.00 C ATOM 504 CG LYS A 34 -5.388 -20.061 6.529 1.00 0.00 C ATOM 505 CD LYS A 34 -5.056 -21.482 6.953 1.00 0.00 C ATOM 506 CE LYS A 34 -3.731 -21.546 7.697 1.00 0.00 C ATOM 507 NZ LYS A 34 -3.819 -20.913 9.042 1.00 0.00 N ATOM 0 H LYS A 34 -5.166 -17.839 2.863 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.887 -17.994 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.692 -20.292 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.479 -19.696 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.238 -19.385 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.441 -19.999 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.852 -21.868 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.012 -22.124 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.425 -22.587 7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.960 -21.046 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.004 -21.206 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.816 -19.878 8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.699 -21.212 9.509 1.00 0.00 H new ATOM 521 N VAL A 35 -3.738 -16.038 5.267 1.00 0.00 N ATOM 522 CA VAL A 35 -3.050 -15.008 6.036 1.00 0.00 C ATOM 523 C VAL A 35 -4.033 -14.197 6.872 1.00 0.00 C ATOM 524 O VAL A 35 -5.191 -14.003 6.499 1.00 0.00 O ATOM 525 CB VAL A 35 -2.265 -14.053 5.117 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.374 -14.838 4.166 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.218 -13.152 4.346 1.00 0.00 C ATOM 0 H VAL A 35 -3.910 -15.793 4.292 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.352 -15.520 6.698 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.627 -13.423 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.828 -14.146 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.667 -15.436 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.989 -15.495 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.646 -12.484 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.883 -13.763 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.809 -12.562 5.047 1.00 0.00 H new ATOM 537 N PRO A 36 -3.564 -13.710 8.030 1.00 0.00 N ATOM 538 CA PRO A 36 -4.387 -12.910 8.943 1.00 0.00 C ATOM 539 C PRO A 36 -4.705 -11.530 8.379 1.00 0.00 C ATOM 540 O PRO A 36 -3.866 -10.906 7.730 1.00 0.00 O ATOM 541 CB PRO A 36 -3.511 -12.787 10.193 1.00 0.00 C ATOM 542 CG PRO A 36 -2.116 -12.946 9.695 1.00 0.00 C ATOM 543 CD PRO A 36 -2.195 -13.901 8.537 1.00 0.00 C ATOM 0 HA PRO A 36 -5.357 -13.372 9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.650 -11.822 10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.759 -13.553 10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.702 -11.987 9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.464 -13.335 10.478 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.449 -13.672 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.023 -14.930 8.852 1.00 0.00 H new ATOM 551 N GLU A 37 -5.923 -11.059 8.630 1.00 0.00 N ATOM 552 CA GLU A 37 -6.351 -9.752 8.146 1.00 0.00 C ATOM 553 C GLU A 37 -5.231 -8.726 8.286 1.00 0.00 C ATOM 554 O GLU A 37 -4.979 -7.939 7.375 1.00 0.00 O ATOM 555 CB GLU A 37 -7.589 -9.280 8.911 1.00 0.00 C ATOM 556 CG GLU A 37 -8.062 -7.894 8.508 1.00 0.00 C ATOM 557 CD GLU A 37 -9.485 -7.612 8.949 1.00 0.00 C ATOM 558 OE1 GLU A 37 -9.720 -7.522 10.172 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.364 -7.482 8.071 1.00 0.00 O ATOM 0 H GLU A 37 -6.630 -11.563 9.165 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.601 -9.849 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.398 -9.992 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.369 -9.283 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.397 -7.147 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.994 -7.792 7.425 1.00 0.00 H new ATOM 566 N GLU A 38 -4.562 -8.742 9.435 1.00 0.00 N ATOM 567 CA GLU A 38 -3.469 -7.812 9.695 1.00 0.00 C ATOM 568 C GLU A 38 -2.568 -7.676 8.472 1.00 0.00 C ATOM 569 O GLU A 38 -2.377 -6.579 7.945 1.00 0.00 O ATOM 570 CB GLU A 38 -2.648 -8.280 10.898 1.00 0.00 C ATOM 571 CG GLU A 38 -3.287 -7.950 12.237 1.00 0.00 C ATOM 572 CD GLU A 38 -4.214 -9.046 12.727 1.00 0.00 C ATOM 573 OE1 GLU A 38 -3.711 -10.044 13.283 1.00 0.00 O ATOM 574 OE2 GLU A 38 -5.443 -8.904 12.554 1.00 0.00 O ATOM 0 H GLU A 38 -4.758 -9.388 10.200 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.901 -6.836 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.502 -9.358 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.660 -7.821 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.505 -7.783 12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.846 -7.019 12.149 1.00 0.00 H new ATOM 581 N LYS A 39 -2.014 -8.798 8.024 1.00 0.00 N ATOM 582 CA LYS A 39 -1.133 -8.807 6.863 1.00 0.00 C ATOM 583 C LYS A 39 -1.639 -7.850 5.788 1.00 0.00 C ATOM 584 O LYS A 39 -1.014 -6.827 5.510 1.00 0.00 O ATOM 585 CB LYS A 39 -1.023 -10.222 6.290 1.00 0.00 C ATOM 586 CG LYS A 39 -0.394 -10.272 4.909 1.00 0.00 C ATOM 587 CD LYS A 39 1.118 -10.134 4.979 1.00 0.00 C ATOM 588 CE LYS A 39 1.550 -8.680 4.878 1.00 0.00 C ATOM 589 NZ LYS A 39 3.004 -8.512 5.155 1.00 0.00 N ATOM 0 H LYS A 39 -2.160 -9.714 8.449 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.146 -8.475 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.433 -10.836 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.018 -10.664 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.652 -11.214 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.805 -9.473 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.480 -10.558 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.574 -10.707 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.325 -8.303 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.974 -8.080 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.259 -7.507 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.215 -8.848 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.555 -9.064 4.466 1.00 0.00 H new ATOM 603 N ALA A 40 -2.776 -8.188 5.189 1.00 0.00 N ATOM 604 CA ALA A 40 -3.368 -7.357 4.148 1.00 0.00 C ATOM 605 C ALA A 40 -3.409 -5.893 4.572 1.00 0.00 C ATOM 606 O ALA A 40 -2.845 -5.028 3.902 1.00 0.00 O ATOM 607 CB ALA A 40 -4.767 -7.850 3.811 1.00 0.00 C ATOM 0 H ALA A 40 -3.306 -9.032 5.407 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.744 -7.433 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.197 -7.220 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.715 -8.880 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.393 -7.804 4.702 1.00 0.00 H new ATOM 613 N ALA A 41 -4.080 -5.623 5.687 1.00 0.00 N ATOM 614 CA ALA A 41 -4.193 -4.263 6.199 1.00 0.00 C ATOM 615 C ALA A 41 -2.832 -3.575 6.235 1.00 0.00 C ATOM 616 O ALA A 41 -2.583 -2.631 5.485 1.00 0.00 O ATOM 617 CB ALA A 41 -4.818 -4.273 7.587 1.00 0.00 C ATOM 0 H ALA A 41 -4.553 -6.328 6.253 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.838 -3.699 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.897 -3.251 7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.812 -4.718 7.535 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.194 -4.857 8.263 1.00 0.00 H new ATOM 623 N LYS A 42 -1.955 -4.053 7.111 1.00 0.00 N ATOM 624 CA LYS A 42 -0.619 -3.484 7.245 1.00 0.00 C ATOM 625 C LYS A 42 -0.095 -3.004 5.895 1.00 0.00 C ATOM 626 O LYS A 42 0.275 -1.840 5.740 1.00 0.00 O ATOM 627 CB LYS A 42 0.340 -4.519 7.838 1.00 0.00 C ATOM 628 CG LYS A 42 -0.080 -5.023 9.208 1.00 0.00 C ATOM 629 CD LYS A 42 0.626 -6.320 9.565 1.00 0.00 C ATOM 630 CE LYS A 42 1.937 -6.059 10.291 1.00 0.00 C ATOM 631 NZ LYS A 42 3.047 -5.766 9.343 1.00 0.00 N ATOM 0 H LYS A 42 -2.145 -4.834 7.739 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.680 -2.628 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.414 -5.366 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.335 -4.080 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.145 -4.266 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.159 -5.178 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.024 -6.929 10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.819 -6.892 8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.812 -5.220 10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.196 -6.928 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.957 -5.992 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.933 -6.343 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.028 -4.758 9.087 1.00 0.00 H new ATOM 645 N VAL A 43 -0.067 -3.908 4.921 1.00 0.00 N ATOM 646 CA VAL A 43 0.410 -3.575 3.583 1.00 0.00 C ATOM 647 C VAL A 43 -0.324 -2.362 3.024 1.00 0.00 C ATOM 648 O VAL A 43 0.291 -1.347 2.697 1.00 0.00 O ATOM 649 CB VAL A 43 0.234 -4.759 2.614 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.705 -4.382 1.218 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.981 -5.982 3.126 1.00 0.00 C ATOM 0 H VAL A 43 -0.369 -4.876 5.033 1.00 0.00 H new ATOM 0 HA VAL A 43 1.471 -3.344 3.674 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.826 -5.006 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.573 -5.231 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.121 -3.537 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.759 -4.107 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.846 -6.809 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.043 -5.750 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.590 -6.264 4.104 1.00 0.00 H new ATOM 661 N ALA A 44 -1.644 -2.473 2.918 1.00 0.00 N ATOM 662 CA ALA A 44 -2.463 -1.384 2.401 1.00 0.00 C ATOM 663 C ALA A 44 -2.081 -0.056 3.045 1.00 0.00 C ATOM 664 O ALA A 44 -1.734 0.904 2.356 1.00 0.00 O ATOM 665 CB ALA A 44 -3.939 -1.678 2.629 1.00 0.00 C ATOM 0 H ALA A 44 -2.169 -3.306 3.183 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.281 -1.304 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.538 -0.856 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.210 -2.601 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.127 -1.788 3.697 1.00 0.00 H new ATOM 671 N THR A 45 -2.148 -0.006 4.372 1.00 0.00 N ATOM 672 CA THR A 45 -1.810 1.205 5.110 1.00 0.00 C ATOM 673 C THR A 45 -0.452 1.749 4.682 1.00 0.00 C ATOM 674 O THR A 45 -0.224 2.959 4.695 1.00 0.00 O ATOM 675 CB THR A 45 -1.794 0.951 6.629 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.068 0.458 7.057 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.458 2.226 7.387 1.00 0.00 C ATOM 0 H THR A 45 -2.433 -0.791 4.958 1.00 0.00 H new ATOM 0 HA THR A 45 -2.581 1.941 4.881 1.00 0.00 H new ATOM 0 HB THR A 45 -1.027 0.207 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.049 0.297 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.453 2.022 8.458 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.475 2.583 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.206 2.988 7.167 1.00 0.00 H new ATOM 685 N LYS A 46 0.448 0.848 4.302 1.00 0.00 N ATOM 686 CA LYS A 46 1.784 1.237 3.868 1.00 0.00 C ATOM 687 C LYS A 46 1.753 1.801 2.452 1.00 0.00 C ATOM 688 O LYS A 46 2.361 2.836 2.172 1.00 0.00 O ATOM 689 CB LYS A 46 2.732 0.037 3.930 1.00 0.00 C ATOM 690 CG LYS A 46 2.931 -0.509 5.333 1.00 0.00 C ATOM 691 CD LYS A 46 4.029 0.238 6.072 1.00 0.00 C ATOM 692 CE LYS A 46 3.837 0.164 7.579 1.00 0.00 C ATOM 693 NZ LYS A 46 4.441 -1.070 8.155 1.00 0.00 N ATOM 0 H LYS A 46 0.276 -0.157 4.286 1.00 0.00 H new ATOM 0 HA LYS A 46 2.146 2.014 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.342 -0.756 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.700 0.328 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.998 -0.431 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.183 -1.568 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.999 -0.183 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.037 1.281 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.286 1.040 8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.772 0.190 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.289 -1.083 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.995 -1.907 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.462 -1.083 7.956 1.00 0.00 H new ATOM 707 N ILE A 47 1.042 1.117 1.562 1.00 0.00 N ATOM 708 CA ILE A 47 0.931 1.553 0.176 1.00 0.00 C ATOM 709 C ILE A 47 0.844 3.072 0.082 1.00 0.00 C ATOM 710 O ILE A 47 1.701 3.716 -0.523 1.00 0.00 O ATOM 711 CB ILE A 47 -0.303 0.936 -0.511 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.186 -0.589 -0.544 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.459 1.492 -1.918 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.211 -1.081 -0.850 1.00 0.00 C ATOM 0 H ILE A 47 0.534 0.259 1.776 1.00 0.00 H new ATOM 0 HA ILE A 47 1.831 1.211 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.191 1.201 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.501 -0.990 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.873 -0.982 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.335 1.047 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.583 2.574 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.429 1.254 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.219 -2.171 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.522 -0.709 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.900 -0.718 -0.087 1.00 0.00 H new ATOM 726 N GLU A 48 -0.195 3.639 0.687 1.00 0.00 N ATOM 727 CA GLU A 48 -0.392 5.084 0.672 1.00 0.00 C ATOM 728 C GLU A 48 0.749 5.796 1.392 1.00 0.00 C ATOM 729 O GLU A 48 1.366 6.712 0.849 1.00 0.00 O ATOM 730 CB GLU A 48 -1.727 5.445 1.326 1.00 0.00 C ATOM 731 CG GLU A 48 -2.937 5.078 0.483 1.00 0.00 C ATOM 732 CD GLU A 48 -2.864 3.663 -0.056 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.070 2.717 0.733 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.602 3.501 -1.266 1.00 0.00 O ATOM 0 H GLU A 48 -0.913 3.120 1.193 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.404 5.413 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.799 4.939 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.746 6.516 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.840 5.188 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.020 5.776 -0.350 1.00 0.00 H new ATOM 741 N LYS A 49 1.025 5.368 2.620 1.00 0.00 N ATOM 742 CA LYS A 49 2.092 5.962 3.416 1.00 0.00 C ATOM 743 C LYS A 49 3.275 6.351 2.537 1.00 0.00 C ATOM 744 O LYS A 49 3.913 7.380 2.759 1.00 0.00 O ATOM 745 CB LYS A 49 2.549 4.986 4.503 1.00 0.00 C ATOM 746 CG LYS A 49 3.247 5.660 5.671 1.00 0.00 C ATOM 747 CD LYS A 49 3.365 4.727 6.864 1.00 0.00 C ATOM 748 CE LYS A 49 3.750 5.482 8.127 1.00 0.00 C ATOM 749 NZ LYS A 49 5.206 5.792 8.167 1.00 0.00 N ATOM 0 H LYS A 49 0.524 4.611 3.085 1.00 0.00 H new ATOM 0 HA LYS A 49 1.701 6.864 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.683 4.438 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.224 4.253 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.241 5.986 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.694 6.554 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.416 4.214 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.111 3.961 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.180 6.409 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.481 4.889 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.427 6.307 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.750 4.906 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.458 6.380 7.347 1.00 0.00 H new ATOM 763 N GLU A 50 3.562 5.523 1.538 1.00 0.00 N ATOM 764 CA GLU A 50 4.669 5.782 0.625 1.00 0.00 C ATOM 765 C GLU A 50 4.183 6.501 -0.630 1.00 0.00 C ATOM 766 O GLU A 50 4.854 7.395 -1.147 1.00 0.00 O ATOM 767 CB GLU A 50 5.360 4.472 0.240 1.00 0.00 C ATOM 768 CG GLU A 50 6.711 4.669 -0.427 1.00 0.00 C ATOM 769 CD GLU A 50 7.699 5.399 0.461 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.869 4.983 1.626 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.303 6.385 -0.010 1.00 0.00 O ATOM 0 H GLU A 50 3.043 4.667 1.340 1.00 0.00 H new ATOM 0 HA GLU A 50 5.385 6.425 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.491 3.864 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.710 3.913 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.122 3.697 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.577 5.229 -1.352 1.00 0.00 H new ATOM 778 N LEU A 51 3.011 6.105 -1.115 1.00 0.00 N ATOM 779 CA LEU A 51 2.434 6.710 -2.310 1.00 0.00 C ATOM 780 C LEU A 51 2.196 8.203 -2.104 1.00 0.00 C ATOM 781 O LEU A 51 2.732 9.034 -2.837 1.00 0.00 O ATOM 782 CB LEU A 51 1.118 6.018 -2.671 1.00 0.00 C ATOM 783 CG LEU A 51 0.673 6.142 -4.129 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.454 5.178 -5.009 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.823 5.888 -4.253 1.00 0.00 C ATOM 0 H LEU A 51 2.442 5.368 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 51 3.142 6.583 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.209 4.959 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.331 6.424 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 51 0.878 7.158 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.124 5.280 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.518 5.406 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.281 4.156 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.122 5.980 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.052 4.884 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.367 6.618 -3.654 1.00 0.00 H new ATOM 797 N PHE A 52 1.391 8.535 -1.100 1.00 0.00 N ATOM 798 CA PHE A 52 1.084 9.928 -0.796 1.00 0.00 C ATOM 799 C PHE A 52 2.355 10.772 -0.766 1.00 0.00 C ATOM 800 O PHE A 52 2.390 11.879 -1.302 1.00 0.00 O ATOM 801 CB PHE A 52 0.359 10.031 0.548 1.00 0.00 C ATOM 802 CG PHE A 52 0.163 11.444 1.017 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.454 12.380 0.202 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.597 11.838 2.273 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.636 13.681 0.631 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.418 13.137 2.707 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.198 14.060 1.885 1.00 0.00 C ATOM 0 H PHE A 52 0.940 7.859 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 52 0.434 10.310 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.614 9.546 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.926 9.482 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.797 12.089 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.081 11.121 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.120 14.400 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.760 13.431 3.689 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.337 15.077 2.222 1.00 0.00 H new ATOM 817 N SER A 53 3.397 10.240 -0.135 1.00 0.00 N ATOM 818 CA SER A 53 4.669 10.945 -0.030 1.00 0.00 C ATOM 819 C SER A 53 5.337 11.064 -1.397 1.00 0.00 C ATOM 820 O SER A 53 5.667 12.162 -1.845 1.00 0.00 O ATOM 821 CB SER A 53 5.600 10.219 0.943 1.00 0.00 C ATOM 822 OG SER A 53 6.683 11.048 1.327 1.00 0.00 O ATOM 0 H SER A 53 3.385 9.323 0.311 1.00 0.00 H new ATOM 0 HA SER A 53 4.471 11.948 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.040 9.914 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.981 9.310 0.477 1.00 0.00 H new ATOM 0 HG SER A 53 7.262 10.562 1.950 1.00 0.00 H new ATOM 828 N PHE A 54 5.534 9.926 -2.054 1.00 0.00 N ATOM 829 CA PHE A 54 6.164 9.901 -3.369 1.00 0.00 C ATOM 830 C PHE A 54 5.652 11.045 -4.239 1.00 0.00 C ATOM 831 O PHE A 54 6.410 11.651 -4.997 1.00 0.00 O ATOM 832 CB PHE A 54 5.899 8.562 -4.059 1.00 0.00 C ATOM 833 CG PHE A 54 6.501 8.466 -5.432 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.874 8.540 -5.607 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.695 8.300 -6.547 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.430 8.453 -6.869 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.247 8.212 -7.811 1.00 0.00 C ATOM 838 CZ PHE A 54 7.616 8.287 -7.972 1.00 0.00 C ATOM 0 H PHE A 54 5.266 9.009 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 54 7.238 10.025 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.297 7.758 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.823 8.406 -4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.516 8.667 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.623 8.239 -6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.501 8.515 -6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.608 8.085 -8.672 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.049 8.216 -8.959 1.00 0.00 H new ATOM 848 N PHE A 55 4.360 11.336 -4.123 1.00 0.00 N ATOM 849 CA PHE A 55 3.745 12.406 -4.900 1.00 0.00 C ATOM 850 C PHE A 55 3.509 13.640 -4.034 1.00 0.00 C ATOM 851 O PHE A 55 3.228 14.725 -4.543 1.00 0.00 O ATOM 852 CB PHE A 55 2.421 11.931 -5.503 1.00 0.00 C ATOM 853 CG PHE A 55 2.593 10.991 -6.662 1.00 0.00 C ATOM 854 CD1 PHE A 55 3.057 11.454 -7.883 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.290 9.646 -6.530 1.00 0.00 C ATOM 856 CE1 PHE A 55 3.217 10.591 -8.951 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.448 8.779 -7.595 1.00 0.00 C ATOM 858 CZ PHE A 55 2.911 9.252 -8.807 1.00 0.00 C ATOM 0 H PHE A 55 3.719 10.846 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 55 4.428 12.675 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.835 11.437 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.848 12.799 -5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.296 12.500 -8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.926 9.271 -5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.581 10.964 -9.897 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.209 7.732 -7.479 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.034 8.576 -9.640 1.00 0.00 H new ATOM 868 N ARG A 56 3.624 13.465 -2.721 1.00 0.00 N ATOM 869 CA ARG A 56 3.422 14.563 -1.784 1.00 0.00 C ATOM 870 C ARG A 56 2.165 15.354 -2.135 1.00 0.00 C ATOM 871 O ARG A 56 2.099 16.563 -1.915 1.00 0.00 O ATOM 872 CB ARG A 56 4.638 15.491 -1.782 1.00 0.00 C ATOM 873 CG ARG A 56 5.700 15.101 -0.767 1.00 0.00 C ATOM 874 CD ARG A 56 7.090 15.508 -1.232 1.00 0.00 C ATOM 875 NE ARG A 56 8.136 14.971 -0.365 1.00 0.00 N ATOM 876 CZ ARG A 56 9.401 15.373 -0.404 1.00 0.00 C ATOM 877 NH1 ARG A 56 9.775 16.312 -1.262 1.00 0.00 N ATOM 878 NH2 ARG A 56 10.295 14.837 0.417 1.00 0.00 N ATOM 0 H ARG A 56 3.856 12.574 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 56 3.296 14.138 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.083 15.495 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.307 16.509 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.482 15.575 0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.671 14.024 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.248 15.157 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.161 16.595 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 56 7.881 14.248 0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.090 16.727 -1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.747 16.619 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.011 14.115 1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.266 15.147 0.386 1.00 0.00 H new ATOM 892 N ASP A 57 1.172 14.662 -2.683 1.00 0.00 N ATOM 893 CA ASP A 57 -0.083 15.300 -3.065 1.00 0.00 C ATOM 894 C ASP A 57 -1.093 14.264 -3.549 1.00 0.00 C ATOM 895 O ASP A 57 -0.745 13.109 -3.796 1.00 0.00 O ATOM 896 CB ASP A 57 0.161 16.342 -4.158 1.00 0.00 C ATOM 897 CG ASP A 57 -0.887 17.437 -4.158 1.00 0.00 C ATOM 898 OD1 ASP A 57 -1.735 17.447 -3.242 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.859 18.284 -5.075 1.00 0.00 O ATOM 0 H ASP A 57 1.211 13.661 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.492 15.797 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.147 16.786 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.168 15.850 -5.130 1.00 0.00 H new ATOM 904 N THR A 58 -2.347 14.685 -3.683 1.00 0.00 N ATOM 905 CA THR A 58 -3.408 13.794 -4.135 1.00 0.00 C ATOM 906 C THR A 58 -4.041 14.303 -5.425 1.00 0.00 C ATOM 907 O THR A 58 -5.238 14.585 -5.471 1.00 0.00 O ATOM 908 CB THR A 58 -4.505 13.639 -3.065 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.188 14.884 -2.880 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.911 13.179 -1.743 1.00 0.00 C ATOM 0 H THR A 58 -2.652 15.638 -3.485 1.00 0.00 H new ATOM 0 HA THR A 58 -2.949 12.823 -4.317 1.00 0.00 H new ATOM 0 HB THR A 58 -5.213 12.884 -3.409 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.637 15.138 -3.713 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.705 13.077 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.418 12.217 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.184 13.913 -1.396 1.00 0.00 H new ATOM 918 N ASP A 59 -3.230 14.417 -6.471 1.00 0.00 N ATOM 919 CA ASP A 59 -3.711 14.890 -7.764 1.00 0.00 C ATOM 920 C ASP A 59 -3.942 13.723 -8.719 1.00 0.00 C ATOM 921 O ASP A 59 -3.707 12.566 -8.369 1.00 0.00 O ATOM 922 CB ASP A 59 -2.713 15.875 -8.374 1.00 0.00 C ATOM 923 CG ASP A 59 -1.373 15.230 -8.674 1.00 0.00 C ATOM 924 OD1 ASP A 59 -1.058 14.198 -8.046 1.00 0.00 O ATOM 925 OD2 ASP A 59 -0.641 15.758 -9.536 1.00 0.00 O ATOM 0 H ASP A 59 -2.236 14.188 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.662 15.399 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.129 16.287 -9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.566 16.710 -7.689 1.00 0.00 H new ATOM 930 N ALA A 60 -4.404 14.034 -9.925 1.00 0.00 N ATOM 931 CA ALA A 60 -4.666 13.011 -10.930 1.00 0.00 C ATOM 932 C ALA A 60 -3.584 11.937 -10.915 1.00 0.00 C ATOM 933 O ALA A 60 -3.877 10.747 -10.794 1.00 0.00 O ATOM 934 CB ALA A 60 -4.766 13.642 -12.311 1.00 0.00 C ATOM 0 H ALA A 60 -4.605 14.986 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.617 12.535 -10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.962 12.867 -13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.579 14.368 -12.321 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.829 14.144 -12.550 1.00 0.00 H new ATOM 940 N LYS A 61 -2.332 12.363 -11.038 1.00 0.00 N ATOM 941 CA LYS A 61 -1.205 11.438 -11.038 1.00 0.00 C ATOM 942 C LYS A 61 -1.281 10.487 -9.848 1.00 0.00 C ATOM 943 O LYS A 61 -1.454 9.280 -10.016 1.00 0.00 O ATOM 944 CB LYS A 61 0.116 12.211 -11.002 1.00 0.00 C ATOM 945 CG LYS A 61 0.258 13.225 -12.125 1.00 0.00 C ATOM 946 CD LYS A 61 1.710 13.617 -12.341 1.00 0.00 C ATOM 947 CE LYS A 61 2.097 14.816 -11.489 1.00 0.00 C ATOM 948 NZ LYS A 61 1.627 16.096 -12.087 1.00 0.00 N ATOM 0 H LYS A 61 -2.072 13.344 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.251 10.850 -11.955 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.200 12.727 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.943 11.503 -11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.148 12.808 -13.047 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.329 14.113 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.356 12.773 -12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.872 13.850 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.673 14.704 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.181 14.845 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.910 16.889 -11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.051 16.215 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.591 16.079 -12.174 1.00 0.00 H new ATOM 962 N TYR A 62 -1.154 11.039 -8.647 1.00 0.00 N ATOM 963 CA TYR A 62 -1.209 10.239 -7.429 1.00 0.00 C ATOM 964 C TYR A 62 -2.289 9.167 -7.529 1.00 0.00 C ATOM 965 O TYR A 62 -2.045 7.994 -7.246 1.00 0.00 O ATOM 966 CB TYR A 62 -1.474 11.135 -6.217 1.00 0.00 C ATOM 967 CG TYR A 62 -1.964 10.380 -5.002 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.091 9.622 -4.231 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.301 10.423 -4.626 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.534 8.931 -3.121 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.753 9.736 -3.516 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.866 8.991 -2.767 1.00 0.00 C ATOM 973 OH TYR A 62 -3.313 8.303 -1.662 1.00 0.00 O ATOM 0 H TYR A 62 -1.012 12.037 -8.490 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.245 9.746 -7.305 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.557 11.665 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.213 11.889 -6.488 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.048 9.573 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.999 11.003 -5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.842 8.347 -2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.795 9.782 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.201 8.631 -1.410 1.00 0.00 H new ATOM 983 N LYS A 63 -3.486 9.578 -7.934 1.00 0.00 N ATOM 984 CA LYS A 63 -4.606 8.655 -8.075 1.00 0.00 C ATOM 985 C LYS A 63 -4.356 7.665 -9.208 1.00 0.00 C ATOM 986 O LYS A 63 -4.736 6.498 -9.120 1.00 0.00 O ATOM 987 CB LYS A 63 -5.901 9.428 -8.334 1.00 0.00 C ATOM 988 CG LYS A 63 -6.212 10.468 -7.272 1.00 0.00 C ATOM 989 CD LYS A 63 -7.215 11.493 -7.773 1.00 0.00 C ATOM 990 CE LYS A 63 -8.645 11.057 -7.493 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.614 11.703 -8.421 1.00 0.00 N ATOM 0 H LYS A 63 -3.705 10.546 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.704 8.097 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.832 9.921 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.730 8.722 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.607 9.975 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.292 10.972 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.026 12.453 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.082 11.640 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.719 9.974 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.906 11.306 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.577 11.380 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.562 12.736 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.381 11.445 -9.401 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.713 8.139 -10.271 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.412 7.295 -11.421 1.00 0.00 C ATOM 1007 C ASN A 64 -2.516 6.127 -11.019 1.00 0.00 C ATOM 1008 O ASN A 64 -2.664 5.014 -11.524 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.734 8.116 -12.519 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.571 7.334 -13.809 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -1.696 6.476 -13.920 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.415 7.630 -14.790 1.00 0.00 N ATOM 0 H ASN A 64 -3.391 9.103 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.352 6.895 -11.802 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.322 9.013 -12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.755 8.445 -12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.354 7.138 -15.681 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.125 8.349 -14.652 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.587 6.388 -10.105 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.668 5.359 -9.632 1.00 0.00 C ATOM 1021 C LYS A 65 -1.392 4.346 -8.752 1.00 0.00 C ATOM 1022 O LYS A 65 -1.213 3.137 -8.903 1.00 0.00 O ATOM 1023 CB LYS A 65 0.485 5.996 -8.853 1.00 0.00 C ATOM 1024 CG LYS A 65 1.466 4.985 -8.285 1.00 0.00 C ATOM 1025 CD LYS A 65 2.105 4.151 -9.383 1.00 0.00 C ATOM 1026 CE LYS A 65 3.045 4.983 -10.241 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.340 5.598 -11.400 1.00 0.00 N ATOM 0 H LYS A 65 -1.451 7.304 -9.677 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.267 4.837 -10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.021 6.681 -9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.076 6.591 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.242 5.505 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.950 4.330 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.655 3.322 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.327 3.717 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.495 5.767 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.859 4.354 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.956 5.567 -12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.465 5.070 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.106 6.587 -11.179 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.211 4.846 -7.833 1.00 0.00 N ATOM 1042 CA TYR A 66 -2.962 3.984 -6.928 1.00 0.00 C ATOM 1043 C TYR A 66 -3.848 3.016 -7.706 1.00 0.00 C ATOM 1044 O TYR A 66 -3.700 1.798 -7.598 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.817 4.826 -5.980 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.062 4.117 -5.496 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -4.979 2.883 -4.862 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.320 4.680 -5.672 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.113 2.230 -4.418 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.459 4.035 -5.231 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.351 2.811 -4.605 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.483 2.165 -4.164 1.00 0.00 O ATOM 0 H TYR A 66 -2.372 5.844 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.248 3.404 -6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.214 5.113 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.107 5.747 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.011 2.427 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.409 5.638 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.031 1.271 -3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.429 4.487 -5.376 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.272 2.708 -4.372 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.768 3.567 -8.491 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.678 2.754 -9.288 1.00 0.00 C ATOM 1064 C ARG A 67 -4.906 1.765 -10.156 1.00 0.00 C ATOM 1065 O ARG A 67 -5.429 0.716 -10.534 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.554 3.646 -10.170 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.767 4.461 -11.183 1.00 0.00 C ATOM 1068 CD ARG A 67 -5.611 3.713 -12.498 1.00 0.00 C ATOM 1069 NE ARG A 67 -6.895 3.486 -13.155 1.00 0.00 N ATOM 1070 CZ ARG A 67 -7.044 2.730 -14.237 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -5.993 2.132 -14.781 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -8.246 2.571 -14.777 1.00 0.00 N ATOM 0 H ARG A 67 -4.903 4.573 -8.592 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.315 2.192 -8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.275 3.023 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.124 4.324 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.273 5.410 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.783 4.696 -10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.959 4.280 -13.162 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.124 2.755 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.723 3.933 -12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.068 2.252 -14.369 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.110 1.552 -15.612 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.057 3.030 -14.361 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.359 1.990 -15.608 1.00 0.00 H new ATOM 1086 N SER A 68 -3.660 2.106 -10.468 1.00 0.00 N ATOM 1087 CA SER A 68 -2.817 1.250 -11.294 1.00 0.00 C ATOM 1088 C SER A 68 -2.246 0.096 -10.475 1.00 0.00 C ATOM 1089 O SER A 68 -2.383 -1.071 -10.845 1.00 0.00 O ATOM 1090 CB SER A 68 -1.678 2.063 -11.912 1.00 0.00 C ATOM 1091 OG SER A 68 -0.810 1.234 -12.665 1.00 0.00 O ATOM 0 H SER A 68 -3.212 2.969 -10.161 1.00 0.00 H new ATOM 0 HA SER A 68 -3.434 0.837 -12.092 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.090 2.842 -12.554 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.115 2.564 -11.124 1.00 0.00 H new ATOM 0 HG SER A 68 -0.092 1.778 -13.051 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.606 0.430 -9.361 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.013 -0.577 -8.487 1.00 0.00 C ATOM 1099 C LEU A 69 -2.018 -1.679 -8.167 1.00 0.00 C ATOM 1100 O LEU A 69 -1.677 -2.862 -8.164 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.518 0.069 -7.193 1.00 0.00 C ATOM 1102 CG LEU A 69 0.783 0.867 -7.296 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.324 1.186 -5.911 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.815 0.101 -8.110 1.00 0.00 C ATOM 0 H LEU A 69 -1.484 1.391 -9.041 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.166 -1.023 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.299 0.732 -6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.382 -0.715 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 69 0.571 1.807 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.250 1.754 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.590 1.775 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.520 0.258 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.734 0.684 -8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.023 -0.854 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.428 -0.076 -9.114 1.00 0.00 H new ATOM 1116 N MET A 70 -3.258 -1.283 -7.900 1.00 0.00 N ATOM 1117 CA MET A 70 -4.313 -2.238 -7.581 1.00 0.00 C ATOM 1118 C MET A 70 -4.913 -2.829 -8.853 1.00 0.00 C ATOM 1119 O MET A 70 -5.566 -3.872 -8.817 1.00 0.00 O ATOM 1120 CB MET A 70 -5.408 -1.563 -6.753 1.00 0.00 C ATOM 1121 CG MET A 70 -6.340 -0.687 -7.575 1.00 0.00 C ATOM 1122 SD MET A 70 -7.227 0.519 -6.570 1.00 0.00 S ATOM 1123 CE MET A 70 -8.097 -0.561 -5.436 1.00 0.00 C ATOM 0 H MET A 70 -3.557 -0.308 -7.898 1.00 0.00 H new ATOM 0 HA MET A 70 -3.873 -3.047 -6.998 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.995 -2.330 -6.248 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.943 -0.956 -5.977 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.762 -0.164 -8.337 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.059 -1.318 -8.097 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.008 -0.070 -5.093 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.355 -1.490 -5.944 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.458 -0.781 -4.580 1.00 0.00 H new ATOM 1133 N PHE A 71 -4.688 -2.156 -9.977 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.208 -2.614 -11.260 1.00 0.00 C ATOM 1135 C PHE A 71 -4.822 -4.068 -11.515 1.00 0.00 C ATOM 1136 O PHE A 71 -5.648 -4.876 -11.936 1.00 0.00 O ATOM 1137 CB PHE A 71 -4.683 -1.729 -12.392 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.361 -1.976 -13.709 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -5.055 -3.099 -14.461 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -6.305 -1.086 -14.196 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -5.677 -3.328 -15.674 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -6.930 -1.310 -15.408 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.617 -2.433 -16.147 1.00 0.00 C ATOM 0 H PHE A 71 -4.149 -1.291 -10.025 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.295 -2.545 -11.229 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.814 -0.683 -12.115 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.612 -1.896 -12.507 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.322 -3.803 -14.095 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.555 -0.207 -13.621 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.428 -4.206 -16.252 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.663 -0.607 -15.777 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.106 -2.612 -17.093 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.559 -4.393 -11.257 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.062 -5.749 -11.459 1.00 0.00 C ATOM 1155 C ASN A 72 -3.453 -6.651 -10.293 1.00 0.00 C ATOM 1156 O ASN A 72 -3.297 -7.871 -10.358 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.541 -5.737 -11.622 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.108 -5.215 -12.978 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.570 -5.958 -13.799 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.342 -3.930 -13.219 1.00 0.00 N ATOM 0 H ASN A 72 -2.861 -3.736 -10.908 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.515 -6.144 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.100 -5.119 -10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.156 -6.747 -11.485 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.073 -3.522 -14.114 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.791 -3.351 -12.509 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.963 -6.044 -9.227 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.377 -6.792 -8.045 1.00 0.00 C ATOM 1169 C LEU A 73 -5.799 -7.320 -8.207 1.00 0.00 C ATOM 1170 O LEU A 73 -6.077 -8.484 -7.919 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.288 -5.908 -6.800 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.878 -5.601 -6.295 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -2.916 -4.513 -5.233 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.222 -6.861 -5.747 1.00 0.00 C ATOM 0 H LEU A 73 -4.100 -5.036 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.704 -7.641 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.790 -4.964 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.843 -6.390 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.283 -5.240 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.903 -4.308 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.345 -3.605 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.527 -4.845 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.219 -6.624 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.817 -7.251 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.160 -7.611 -6.535 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.696 -6.457 -8.671 1.00 0.00 N ATOM 1187 CA LYS A 74 -8.089 -6.836 -8.875 1.00 0.00 C ATOM 1188 C LYS A 74 -8.252 -7.641 -10.160 1.00 0.00 C ATOM 1189 O LYS A 74 -9.345 -8.111 -10.475 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.976 -5.590 -8.926 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.581 -4.606 -10.014 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.695 -3.612 -10.298 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.210 -2.468 -11.174 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.330 -1.588 -11.608 1.00 0.00 N ATOM 0 H LYS A 74 -6.483 -5.489 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.396 -7.459 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.010 -5.897 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.936 -5.086 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.682 -4.069 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.336 -5.150 -10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.523 -4.122 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.078 -3.215 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.476 -1.877 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.704 -2.872 -12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.958 -0.821 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.019 -2.146 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.797 -1.182 -10.772 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.157 -7.798 -10.897 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.178 -8.549 -12.146 1.00 0.00 C ATOM 1210 C ASP A 75 -7.153 -10.051 -11.878 1.00 0.00 C ATOM 1211 O ASP A 75 -6.240 -10.577 -11.241 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.988 -8.155 -13.023 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.272 -6.927 -13.866 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -7.261 -6.222 -13.574 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.504 -6.671 -14.816 1.00 0.00 O ATOM 0 H ASP A 75 -6.244 -7.415 -10.650 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.102 -8.307 -12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.121 -7.965 -12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.730 -8.989 -13.676 1.00 0.00 H new ATOM 1220 N PRO A 76 -8.179 -10.758 -12.375 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.298 -12.209 -12.201 1.00 0.00 C ATOM 1222 C PRO A 76 -7.253 -12.976 -13.003 1.00 0.00 C ATOM 1223 O PRO A 76 -6.720 -13.986 -12.543 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.704 -12.514 -12.723 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.999 -11.414 -13.683 1.00 0.00 C ATOM 1226 CD PRO A 76 -9.302 -10.196 -13.144 1.00 0.00 C ATOM 0 HA PRO A 76 -8.138 -12.511 -11.166 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.742 -13.487 -13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.431 -12.537 -11.911 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.638 -11.660 -14.682 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.073 -11.245 -13.765 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.954 -9.544 -13.946 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.963 -9.601 -12.514 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.964 -12.491 -14.206 1.00 0.00 N ATOM 1235 CA LYS A 77 -5.981 -13.130 -15.074 1.00 0.00 C ATOM 1236 C LYS A 77 -4.581 -13.024 -14.479 1.00 0.00 C ATOM 1237 O LYS A 77 -3.673 -13.756 -14.872 1.00 0.00 O ATOM 1238 CB LYS A 77 -6.006 -12.492 -16.464 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.829 -10.983 -16.444 1.00 0.00 C ATOM 1240 CD LYS A 77 -4.364 -10.592 -16.540 1.00 0.00 C ATOM 1241 CE LYS A 77 -3.927 -10.417 -17.987 1.00 0.00 C ATOM 1242 NZ LYS A 77 -3.494 -11.705 -18.595 1.00 0.00 N ATOM 0 H LYS A 77 -7.397 -11.657 -14.602 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.241 -14.185 -15.161 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.216 -12.934 -17.072 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.953 -12.732 -16.948 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.380 -10.540 -17.274 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.255 -10.578 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.198 -9.664 -15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.750 -11.356 -16.063 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.750 -10.000 -18.567 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.108 -9.699 -18.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.860 -11.514 -19.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.991 -12.273 -17.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.328 -12.229 -18.930 1.00 0.00 H new ATOM 1256 N ASN A 78 -4.413 -12.109 -13.529 1.00 0.00 N ATOM 1257 CA ASN A 78 -3.123 -11.909 -12.880 1.00 0.00 C ATOM 1258 C ASN A 78 -3.215 -12.200 -11.386 1.00 0.00 C ATOM 1259 O ASN A 78 -3.466 -11.303 -10.582 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.634 -10.476 -13.103 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.173 -10.301 -12.736 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.331 -11.131 -13.079 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.865 -9.215 -12.036 1.00 0.00 N ATOM 0 H ASN A 78 -5.154 -11.495 -13.192 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.409 -12.603 -13.324 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.778 -10.204 -14.149 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.240 -9.792 -12.509 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.102 -9.043 -11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.596 -8.553 -11.773 1.00 0.00 H new ATOM 1270 N ASN A 79 -3.008 -13.461 -11.020 1.00 0.00 N ATOM 1271 CA ASN A 79 -3.067 -13.872 -9.622 1.00 0.00 C ATOM 1272 C ASN A 79 -1.670 -14.152 -9.078 1.00 0.00 C ATOM 1273 O ASN A 79 -1.389 -15.251 -8.598 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.945 -15.116 -9.471 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.903 -16.005 -10.699 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -4.843 -16.028 -11.494 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -2.811 -16.743 -10.859 1.00 0.00 N ATOM 0 H ASN A 79 -2.798 -14.216 -11.673 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.504 -13.056 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.617 -15.686 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.974 -14.810 -9.282 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.727 -17.361 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.056 -16.692 -10.175 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.799 -13.151 -9.156 1.00 0.00 N ATOM 1285 CA ILE A 80 0.568 -13.290 -8.669 1.00 0.00 C ATOM 1286 C ILE A 80 0.962 -12.105 -7.794 1.00 0.00 C ATOM 1287 O ILE A 80 1.317 -12.273 -6.626 1.00 0.00 O ATOM 1288 CB ILE A 80 1.570 -13.410 -9.833 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.268 -14.656 -10.668 1.00 0.00 C ATOM 1290 CG2 ILE A 80 2.995 -13.454 -9.302 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.378 -15.024 -11.627 1.00 0.00 C ATOM 0 H ILE A 80 -1.015 -12.236 -9.551 1.00 0.00 H new ATOM 0 HA ILE A 80 0.601 -14.204 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 80 1.468 -12.534 -10.473 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.084 -15.496 -9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.350 -14.491 -11.233 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.692 -13.539 -10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.204 -12.540 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.111 -14.314 -8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.095 -15.916 -12.186 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.548 -14.200 -12.321 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.292 -15.221 -11.067 1.00 0.00 H new ATOM 1303 N LEU A 81 0.897 -10.907 -8.364 1.00 0.00 N ATOM 1304 CA LEU A 81 1.245 -9.692 -7.636 1.00 0.00 C ATOM 1305 C LEU A 81 0.673 -9.722 -6.222 1.00 0.00 C ATOM 1306 O LEU A 81 1.413 -9.817 -5.243 1.00 0.00 O ATOM 1307 CB LEU A 81 0.728 -8.461 -8.381 1.00 0.00 C ATOM 1308 CG LEU A 81 1.468 -7.151 -8.108 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.880 -7.208 -8.668 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.705 -5.974 -8.698 1.00 0.00 C ATOM 0 H LEU A 81 0.606 -10.751 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 81 2.332 -9.638 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.772 -8.664 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.323 -8.321 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 81 1.533 -7.012 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.391 -6.267 -8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.425 -8.026 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.838 -7.372 -9.745 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.246 -5.050 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.607 -6.107 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.286 -5.920 -8.248 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.650 -9.643 -6.123 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.322 -9.662 -4.829 1.00 0.00 C ATOM 1324 C PHE A 82 -0.642 -10.641 -3.877 1.00 0.00 C ATOM 1325 O PHE A 82 -0.597 -10.419 -2.667 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.795 -10.041 -5.001 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.040 -11.522 -4.969 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.910 -12.234 -3.788 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.401 -12.203 -6.121 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.135 -13.598 -3.754 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.628 -13.566 -6.094 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.494 -14.264 -4.909 1.00 0.00 C ATOM 0 H PHE A 82 -1.278 -9.565 -6.923 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.258 -8.662 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.378 -9.567 -4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.157 -9.641 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.629 -11.717 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.506 -11.662 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.030 -14.141 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.910 -14.085 -6.998 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.670 -15.329 -4.886 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.113 -11.726 -4.432 1.00 0.00 N ATOM 1343 CA LYS A 83 0.567 -12.741 -3.635 1.00 0.00 C ATOM 1344 C LYS A 83 1.997 -12.315 -3.318 1.00 0.00 C ATOM 1345 O LYS A 83 2.462 -12.458 -2.187 1.00 0.00 O ATOM 1346 CB LYS A 83 0.575 -14.080 -4.376 1.00 0.00 C ATOM 1347 CG LYS A 83 1.000 -15.252 -3.508 1.00 0.00 C ATOM 1348 CD LYS A 83 1.005 -16.553 -4.293 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.398 -17.122 -4.437 1.00 0.00 C ATOM 1350 NZ LYS A 83 -1.136 -16.499 -5.571 1.00 0.00 N ATOM 0 H LYS A 83 -0.142 -11.926 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 83 0.024 -12.855 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.423 -14.274 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.248 -14.009 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.995 -15.065 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.323 -15.341 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.432 -16.382 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.644 -17.280 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.339 -18.200 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.952 -16.962 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.631 -17.238 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.829 -15.817 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.464 -16.006 -6.194 1.00 0.00 H new ATOM 1364 N LYS A 84 2.690 -11.790 -4.322 1.00 0.00 N ATOM 1365 CA LYS A 84 4.066 -11.341 -4.150 1.00 0.00 C ATOM 1366 C LYS A 84 4.147 -10.215 -3.124 1.00 0.00 C ATOM 1367 O LYS A 84 5.119 -10.113 -2.376 1.00 0.00 O ATOM 1368 CB LYS A 84 4.641 -10.868 -5.488 1.00 0.00 C ATOM 1369 CG LYS A 84 4.910 -11.997 -6.467 1.00 0.00 C ATOM 1370 CD LYS A 84 5.591 -11.491 -7.728 1.00 0.00 C ATOM 1371 CE LYS A 84 4.750 -10.437 -8.431 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.228 -10.182 -9.819 1.00 0.00 N ATOM 0 H LYS A 84 2.321 -11.665 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 84 4.654 -12.184 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.947 -10.162 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.570 -10.328 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.537 -12.751 -5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.971 -12.484 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.564 -11.071 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.771 -12.326 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.710 -10.761 -8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.779 -9.509 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.849 -9.274 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.267 -10.148 -9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.902 -10.946 -10.444 1.00 0.00 H new ATOM 1386 N VAL A 85 3.119 -9.374 -3.094 1.00 0.00 N ATOM 1387 CA VAL A 85 3.072 -8.257 -2.157 1.00 0.00 C ATOM 1388 C VAL A 85 2.786 -8.740 -0.740 1.00 0.00 C ATOM 1389 O VAL A 85 3.471 -8.356 0.209 1.00 0.00 O ATOM 1390 CB VAL A 85 2.000 -7.228 -2.563 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.918 -6.109 -1.537 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.294 -6.672 -3.948 1.00 0.00 C ATOM 0 H VAL A 85 2.307 -9.444 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 85 4.052 -7.780 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 85 1.033 -7.730 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.155 -5.392 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.657 -6.526 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.883 -5.606 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.527 -5.947 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.269 -6.185 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.297 -7.485 -4.674 1.00 0.00 H new ATOM 1402 N LEU A 86 1.770 -9.585 -0.603 1.00 0.00 N ATOM 1403 CA LEU A 86 1.392 -10.122 0.700 1.00 0.00 C ATOM 1404 C LEU A 86 2.500 -11.004 1.267 1.00 0.00 C ATOM 1405 O LEU A 86 2.923 -10.830 2.410 1.00 0.00 O ATOM 1406 CB LEU A 86 0.094 -10.924 0.586 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.201 -10.139 0.796 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.347 -9.058 -0.264 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.401 -11.074 0.776 1.00 0.00 C ATOM 0 H LEU A 86 1.193 -9.913 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 86 1.236 -9.284 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.060 -11.384 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.126 -11.734 1.314 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.158 -9.658 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.274 -8.509 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.503 -8.371 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.368 -9.518 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.314 -10.498 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.449 -11.584 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.301 -11.811 1.573 1.00 0.00 H new ATOM 1421 N LYS A 87 2.968 -11.950 0.460 1.00 0.00 N ATOM 1422 CA LYS A 87 4.029 -12.858 0.879 1.00 0.00 C ATOM 1423 C LYS A 87 5.263 -12.082 1.329 1.00 0.00 C ATOM 1424 O LYS A 87 5.871 -12.402 2.349 1.00 0.00 O ATOM 1425 CB LYS A 87 4.399 -13.806 -0.265 1.00 0.00 C ATOM 1426 CG LYS A 87 3.279 -14.756 -0.653 1.00 0.00 C ATOM 1427 CD LYS A 87 3.057 -15.819 0.410 1.00 0.00 C ATOM 1428 CE LYS A 87 4.108 -16.915 0.331 1.00 0.00 C ATOM 1429 NZ LYS A 87 5.318 -16.582 1.132 1.00 0.00 N ATOM 0 H LYS A 87 2.629 -12.108 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 87 3.661 -13.442 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.683 -13.217 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.274 -14.388 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.358 -14.192 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.519 -15.234 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.084 -15.358 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.065 -16.255 0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.682 -17.853 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.393 -17.071 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.122 -16.417 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.138 -15.724 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.540 -17.372 1.771 1.00 0.00 H new ATOM 1443 N GLY A 88 5.625 -11.059 0.561 1.00 0.00 N ATOM 1444 CA GLY A 88 6.784 -10.252 0.898 1.00 0.00 C ATOM 1445 C GLY A 88 7.687 -10.008 -0.294 1.00 0.00 C ATOM 1446 O GLY A 88 8.451 -9.044 -0.314 1.00 0.00 O ATOM 0 H GLY A 88 5.137 -10.774 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.452 -9.295 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.352 -10.748 1.685 1.00 0.00 H new ATOM 1450 N GLU A 89 7.601 -10.886 -1.290 1.00 0.00 N ATOM 1451 CA GLU A 89 8.420 -10.761 -2.490 1.00 0.00 C ATOM 1452 C GLU A 89 8.511 -9.305 -2.938 1.00 0.00 C ATOM 1453 O GLU A 89 9.574 -8.833 -3.341 1.00 0.00 O ATOM 1454 CB GLU A 89 7.845 -11.619 -3.618 1.00 0.00 C ATOM 1455 CG GLU A 89 8.103 -13.107 -3.444 1.00 0.00 C ATOM 1456 CD GLU A 89 7.028 -13.793 -2.625 1.00 0.00 C ATOM 1457 OE1 GLU A 89 5.995 -14.183 -3.209 1.00 0.00 O ATOM 1458 OE2 GLU A 89 7.218 -13.941 -1.399 1.00 0.00 O ATOM 0 H GLU A 89 6.973 -11.690 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 89 9.424 -11.112 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.770 -11.450 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.274 -11.293 -4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.164 -13.579 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.070 -13.250 -2.961 1.00 0.00 H new ATOM 1465 N VAL A 90 7.387 -8.599 -2.866 1.00 0.00 N ATOM 1466 CA VAL A 90 7.338 -7.197 -3.264 1.00 0.00 C ATOM 1467 C VAL A 90 6.982 -6.303 -2.082 1.00 0.00 C ATOM 1468 O VAL A 90 5.958 -6.499 -1.426 1.00 0.00 O ATOM 1469 CB VAL A 90 6.314 -6.970 -4.392 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.003 -5.488 -4.540 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.829 -7.548 -5.702 1.00 0.00 C ATOM 0 H VAL A 90 6.498 -8.975 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 90 8.332 -6.936 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 90 5.390 -7.487 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.278 -5.347 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.590 -5.108 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.918 -4.946 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.093 -7.379 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.766 -7.061 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.997 -8.619 -5.586 1.00 0.00 H new ATOM 1481 N THR A 91 7.834 -5.319 -1.814 1.00 0.00 N ATOM 1482 CA THR A 91 7.610 -4.393 -0.710 1.00 0.00 C ATOM 1483 C THR A 91 6.586 -3.328 -1.084 1.00 0.00 C ATOM 1484 O THR A 91 6.442 -2.953 -2.248 1.00 0.00 O ATOM 1485 CB THR A 91 8.919 -3.703 -0.282 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.784 -3.549 -1.412 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.627 -4.507 0.799 1.00 0.00 C ATOM 0 H THR A 91 8.686 -5.142 -2.346 1.00 0.00 H new ATOM 0 HA THR A 91 7.228 -4.982 0.124 1.00 0.00 H new ATOM 0 HB THR A 91 8.671 -2.721 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.554 -2.997 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.549 -4.000 1.085 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.977 -4.597 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.863 -5.501 0.418 1.00 0.00 H new ATOM 1495 N PRO A 92 5.857 -2.827 -0.076 1.00 0.00 N ATOM 1496 CA PRO A 92 4.833 -1.797 -0.276 1.00 0.00 C ATOM 1497 C PRO A 92 5.436 -0.445 -0.641 1.00 0.00 C ATOM 1498 O PRO A 92 4.739 0.444 -1.132 1.00 0.00 O ATOM 1499 CB PRO A 92 4.136 -1.722 1.085 1.00 0.00 C ATOM 1500 CG PRO A 92 5.157 -2.196 2.061 1.00 0.00 C ATOM 1501 CD PRO A 92 5.975 -3.229 1.336 1.00 0.00 C ATOM 0 HA PRO A 92 4.163 -2.042 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.816 -0.705 1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.245 -2.349 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.783 -1.372 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.683 -2.623 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.013 -3.226 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.590 -4.235 1.501 1.00 0.00 H new ATOM 1509 N ASP A 93 6.734 -0.296 -0.399 1.00 0.00 N ATOM 1510 CA ASP A 93 7.431 0.948 -0.704 1.00 0.00 C ATOM 1511 C ASP A 93 8.097 0.876 -2.074 1.00 0.00 C ATOM 1512 O ASP A 93 8.485 1.897 -2.642 1.00 0.00 O ATOM 1513 CB ASP A 93 8.477 1.249 0.371 1.00 0.00 C ATOM 1514 CG ASP A 93 9.342 0.045 0.689 1.00 0.00 C ATOM 1515 OD1 ASP A 93 10.210 -0.298 -0.141 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.151 -0.553 1.768 1.00 0.00 O ATOM 0 H ASP A 93 7.325 -1.021 0.008 1.00 0.00 H new ATOM 0 HA ASP A 93 6.696 1.753 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.111 2.070 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.975 1.582 1.279 1.00 0.00 H new ATOM 1521 N HIS A 94 8.228 -0.338 -2.600 1.00 0.00 N ATOM 1522 CA HIS A 94 8.848 -0.544 -3.904 1.00 0.00 C ATOM 1523 C HIS A 94 7.790 -0.760 -4.981 1.00 0.00 C ATOM 1524 O HIS A 94 7.984 -0.391 -6.140 1.00 0.00 O ATOM 1525 CB HIS A 94 9.797 -1.742 -3.857 1.00 0.00 C ATOM 1526 CG HIS A 94 10.837 -1.725 -4.935 1.00 0.00 C ATOM 1527 ND1 HIS A 94 12.023 -1.031 -4.824 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.864 -2.324 -6.148 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.735 -1.202 -5.924 1.00 0.00 C ATOM 1530 NE2 HIS A 94 12.054 -1.983 -6.744 1.00 0.00 N ATOM 0 H HIS A 94 7.913 -1.194 -2.143 1.00 0.00 H new ATOM 0 HA HIS A 94 9.417 0.351 -4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.292 -1.765 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.215 -2.660 -3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.094 -2.953 -6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.708 -0.776 -6.120 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.362 -2.284 -7.669 1.00 0.00 H new ATOM 1539 N LEU A 95 6.670 -1.359 -4.592 1.00 0.00 N ATOM 1540 CA LEU A 95 5.580 -1.625 -5.524 1.00 0.00 C ATOM 1541 C LEU A 95 5.246 -0.380 -6.340 1.00 0.00 C ATOM 1542 O LEU A 95 4.785 -0.477 -7.478 1.00 0.00 O ATOM 1543 CB LEU A 95 4.339 -2.100 -4.767 1.00 0.00 C ATOM 1544 CG LEU A 95 3.048 -2.186 -5.582 1.00 0.00 C ATOM 1545 CD1 LEU A 95 3.008 -3.477 -6.385 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.834 -2.086 -4.669 1.00 0.00 C ATOM 0 H LEU A 95 6.493 -1.670 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 95 5.903 -2.410 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.548 -3.085 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.170 -1.426 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 95 3.024 -1.348 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.082 -3.520 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.858 -3.508 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.055 -4.329 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.924 -2.149 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.853 -2.903 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.855 -1.134 -4.139 1.00 0.00 H new ATOM 1558 N ILE A 96 5.483 0.788 -5.752 1.00 0.00 N ATOM 1559 CA ILE A 96 5.210 2.051 -6.426 1.00 0.00 C ATOM 1560 C ILE A 96 6.214 2.304 -7.546 1.00 0.00 C ATOM 1561 O ILE A 96 5.832 2.552 -8.690 1.00 0.00 O ATOM 1562 CB ILE A 96 5.249 3.234 -5.441 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.380 2.935 -4.217 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.784 4.510 -6.127 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.587 3.909 -3.077 1.00 0.00 C ATOM 0 H ILE A 96 5.863 0.886 -4.811 1.00 0.00 H new ATOM 0 HA ILE A 96 4.208 1.973 -6.849 1.00 0.00 H new ATOM 0 HB ILE A 96 6.277 3.377 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.331 2.952 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.596 1.926 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.817 5.337 -5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.439 4.729 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.763 4.379 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.939 3.637 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.628 3.875 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.343 4.917 -3.411 1.00 0.00 H new ATOM 1577 N ARG A 97 7.497 2.239 -7.209 1.00 0.00 N ATOM 1578 CA ARG A 97 8.556 2.460 -8.187 1.00 0.00 C ATOM 1579 C ARG A 97 8.365 1.565 -9.407 1.00 0.00 C ATOM 1580 O ARG A 97 8.837 1.879 -10.500 1.00 0.00 O ATOM 1581 CB ARG A 97 9.925 2.196 -7.557 1.00 0.00 C ATOM 1582 CG ARG A 97 10.390 3.304 -6.626 1.00 0.00 C ATOM 1583 CD ARG A 97 11.750 2.989 -6.022 1.00 0.00 C ATOM 1584 NE ARG A 97 11.636 2.206 -4.795 1.00 0.00 N ATOM 1585 CZ ARG A 97 11.137 2.685 -3.661 1.00 0.00 C ATOM 1586 NH1 ARG A 97 10.706 3.938 -3.599 1.00 0.00 N ATOM 1587 NH2 ARG A 97 11.066 1.911 -2.586 1.00 0.00 N ATOM 0 H ARG A 97 7.829 2.035 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 97 8.506 3.500 -8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.886 1.259 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.662 2.066 -8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.443 4.244 -7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.659 3.442 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.351 2.440 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.277 3.919 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 97 11.957 1.238 -4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.757 4.536 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.323 4.303 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.395 0.946 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.683 2.280 -1.716 1.00 0.00 H new ATOM 1601 N MET A 98 7.670 0.449 -9.213 1.00 0.00 N ATOM 1602 CA MET A 98 7.416 -0.492 -10.298 1.00 0.00 C ATOM 1603 C MET A 98 6.656 0.183 -11.436 1.00 0.00 C ATOM 1604 O MET A 98 5.942 1.163 -11.222 1.00 0.00 O ATOM 1605 CB MET A 98 6.625 -1.696 -9.784 1.00 0.00 C ATOM 1606 CG MET A 98 7.246 -2.354 -8.562 1.00 0.00 C ATOM 1607 SD MET A 98 6.597 -4.008 -8.259 1.00 0.00 S ATOM 1608 CE MET A 98 7.545 -4.965 -9.440 1.00 0.00 C ATOM 0 H MET A 98 7.273 0.174 -8.315 1.00 0.00 H new ATOM 0 HA MET A 98 8.377 -0.835 -10.680 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.612 -1.377 -9.539 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.543 -2.434 -10.582 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.326 -2.410 -8.694 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.064 -1.731 -7.687 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.916 -5.748 -9.862 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.897 -4.312 -10.239 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.400 -5.418 -8.938 1.00 0.00 H new ATOM 1618 N SER A 99 6.814 -0.348 -12.644 1.00 0.00 N ATOM 1619 CA SER A 99 6.146 0.206 -13.816 1.00 0.00 C ATOM 1620 C SER A 99 4.794 -0.465 -14.038 1.00 0.00 C ATOM 1621 O SER A 99 4.526 -1.559 -13.540 1.00 0.00 O ATOM 1622 CB SER A 99 7.022 0.036 -15.058 1.00 0.00 C ATOM 1623 OG SER A 99 7.875 1.154 -15.237 1.00 0.00 O ATOM 0 H SER A 99 7.399 -1.161 -12.837 1.00 0.00 H new ATOM 0 HA SER A 99 5.981 1.269 -13.640 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.620 -0.870 -14.964 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.391 -0.089 -15.938 1.00 0.00 H new ATOM 0 HG SER A 99 8.426 1.020 -16.036 1.00 0.00 H new ATOM 1629 N PRO A 100 3.920 0.205 -14.804 1.00 0.00 N ATOM 1630 CA PRO A 100 2.581 -0.307 -15.110 1.00 0.00 C ATOM 1631 C PRO A 100 2.621 -1.514 -16.041 1.00 0.00 C ATOM 1632 O PRO A 100 1.598 -2.151 -16.291 1.00 0.00 O ATOM 1633 CB PRO A 100 1.898 0.877 -15.799 1.00 0.00 C ATOM 1634 CG PRO A 100 3.015 1.675 -16.376 1.00 0.00 C ATOM 1635 CD PRO A 100 4.172 1.514 -15.430 1.00 0.00 C ATOM 0 HA PRO A 100 2.063 -0.655 -14.216 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.210 0.541 -16.575 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.316 1.466 -15.090 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.274 1.319 -17.373 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.735 2.724 -16.475 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.127 1.531 -15.956 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.201 2.314 -14.691 1.00 0.00 H new ATOM 1643 N GLU A 101 3.809 -1.823 -16.551 1.00 0.00 N ATOM 1644 CA GLU A 101 3.981 -2.955 -17.455 1.00 0.00 C ATOM 1645 C GLU A 101 4.515 -4.173 -16.707 1.00 0.00 C ATOM 1646 O GLU A 101 4.019 -5.285 -16.878 1.00 0.00 O ATOM 1647 CB GLU A 101 4.933 -2.585 -18.595 1.00 0.00 C ATOM 1648 CG GLU A 101 5.022 -3.645 -19.681 1.00 0.00 C ATOM 1649 CD GLU A 101 6.269 -3.505 -20.531 1.00 0.00 C ATOM 1650 OE1 GLU A 101 6.249 -2.697 -21.484 1.00 0.00 O ATOM 1651 OE2 GLU A 101 7.265 -4.202 -20.245 1.00 0.00 O ATOM 0 H GLU A 101 4.666 -1.306 -16.354 1.00 0.00 H new ATOM 0 HA GLU A 101 3.006 -3.206 -17.872 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.605 -1.646 -19.041 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.928 -2.412 -18.185 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.009 -4.633 -19.221 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.142 -3.580 -20.320 1.00 0.00 H new ATOM 1658 N GLU A 102 5.531 -3.952 -15.877 1.00 0.00 N ATOM 1659 CA GLU A 102 6.133 -5.032 -15.104 1.00 0.00 C ATOM 1660 C GLU A 102 5.089 -5.727 -14.235 1.00 0.00 C ATOM 1661 O GLU A 102 5.022 -6.956 -14.188 1.00 0.00 O ATOM 1662 CB GLU A 102 7.264 -4.491 -14.227 1.00 0.00 C ATOM 1663 CG GLU A 102 8.556 -4.240 -14.986 1.00 0.00 C ATOM 1664 CD GLU A 102 8.575 -2.889 -15.675 1.00 0.00 C ATOM 1665 OE1 GLU A 102 7.684 -2.639 -16.514 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.480 -2.083 -15.375 1.00 0.00 O ATOM 0 H GLU A 102 5.953 -3.036 -15.723 1.00 0.00 H new ATOM 0 HA GLU A 102 6.542 -5.761 -15.803 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.939 -3.560 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.458 -5.199 -13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.397 -4.303 -14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.695 -5.025 -15.730 1.00 0.00 H new ATOM 1673 N LEU A 103 4.275 -4.932 -13.548 1.00 0.00 N ATOM 1674 CA LEU A 103 3.234 -5.470 -12.680 1.00 0.00 C ATOM 1675 C LEU A 103 2.514 -6.635 -13.350 1.00 0.00 C ATOM 1676 O LEU A 103 1.985 -7.520 -12.679 1.00 0.00 O ATOM 1677 CB LEU A 103 2.229 -4.375 -12.318 1.00 0.00 C ATOM 1678 CG LEU A 103 2.747 -3.264 -11.403 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.680 -2.201 -11.197 1.00 0.00 C ATOM 1680 CD2 LEU A 103 3.196 -3.839 -10.068 1.00 0.00 C ATOM 0 H LEU A 103 4.316 -3.913 -13.576 1.00 0.00 H new ATOM 0 HA LEU A 103 3.708 -5.836 -11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.870 -3.920 -13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.370 -4.843 -11.838 1.00 0.00 H new ATOM 0 HG LEU A 103 3.607 -2.797 -11.882 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.067 -1.419 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.407 -1.768 -12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.800 -2.653 -10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.561 -3.035 -9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.354 -4.333 -9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.995 -4.562 -10.233 1.00 0.00 H new ATOM 1692 N ALA A 104 2.499 -6.629 -14.679 1.00 0.00 N ATOM 1693 CA ALA A 104 1.848 -7.688 -15.441 1.00 0.00 C ATOM 1694 C ALA A 104 2.863 -8.714 -15.933 1.00 0.00 C ATOM 1695 O ALA A 104 2.588 -9.914 -15.950 1.00 0.00 O ATOM 1696 CB ALA A 104 1.080 -7.098 -16.614 1.00 0.00 C ATOM 0 H ALA A 104 2.930 -5.902 -15.250 1.00 0.00 H new ATOM 0 HA ALA A 104 1.146 -8.198 -14.781 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.599 -7.900 -17.174 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.321 -6.409 -16.243 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.769 -6.562 -17.267 1.00 0.00 H new ATOM 1702 N SER A 105 4.036 -8.235 -16.333 1.00 0.00 N ATOM 1703 CA SER A 105 5.091 -9.111 -16.829 1.00 0.00 C ATOM 1704 C SER A 105 5.340 -10.264 -15.862 1.00 0.00 C ATOM 1705 O SER A 105 5.222 -10.107 -14.646 1.00 0.00 O ATOM 1706 CB SER A 105 6.383 -8.320 -17.041 1.00 0.00 C ATOM 1707 OG SER A 105 7.091 -8.164 -15.824 1.00 0.00 O ATOM 0 H SER A 105 4.280 -7.245 -16.323 1.00 0.00 H new ATOM 0 HA SER A 105 4.766 -9.525 -17.784 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.012 -8.833 -17.768 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.149 -7.340 -17.457 1.00 0.00 H new ATOM 0 HG SER A 105 6.487 -7.813 -15.137 1.00 0.00 H new ATOM 1713 N LYS A 106 5.686 -11.424 -16.410 1.00 0.00 N ATOM 1714 CA LYS A 106 5.954 -12.605 -15.598 1.00 0.00 C ATOM 1715 C LYS A 106 7.441 -12.719 -15.278 1.00 0.00 C ATOM 1716 O LYS A 106 8.086 -13.705 -15.631 1.00 0.00 O ATOM 1717 CB LYS A 106 5.479 -13.866 -16.323 1.00 0.00 C ATOM 1718 CG LYS A 106 5.225 -15.042 -15.395 1.00 0.00 C ATOM 1719 CD LYS A 106 3.796 -15.048 -14.880 1.00 0.00 C ATOM 1720 CE LYS A 106 2.870 -15.810 -15.815 1.00 0.00 C ATOM 1721 NZ LYS A 106 2.345 -14.942 -16.906 1.00 0.00 N ATOM 0 H LYS A 106 5.787 -11.571 -17.414 1.00 0.00 H new ATOM 0 HA LYS A 106 5.406 -12.504 -14.661 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.562 -13.639 -16.867 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.226 -14.153 -17.063 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.426 -15.974 -15.924 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.916 -14.998 -14.553 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.767 -15.501 -13.889 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.443 -14.023 -14.772 1.00 0.00 H new ATOM 0 HE2 LYS A 106 3.406 -16.654 -16.249 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.037 -16.221 -15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.442 -15.325 -17.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.197 -13.979 -16.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.030 -14.915 -17.688 1.00 0.00 H new ATOM 1735 N GLU A 107 7.977 -11.705 -14.606 1.00 0.00 N ATOM 1736 CA GLU A 107 9.388 -11.693 -14.238 1.00 0.00 C ATOM 1737 C GLU A 107 9.585 -12.224 -12.821 1.00 0.00 C ATOM 1738 O GLU A 107 10.074 -11.513 -11.942 1.00 0.00 O ATOM 1739 CB GLU A 107 9.955 -10.276 -14.348 1.00 0.00 C ATOM 1740 CG GLU A 107 10.438 -9.920 -15.744 1.00 0.00 C ATOM 1741 CD GLU A 107 10.765 -8.447 -15.890 1.00 0.00 C ATOM 1742 OE1 GLU A 107 11.804 -8.013 -15.350 1.00 0.00 O ATOM 1743 OE2 GLU A 107 9.981 -7.728 -16.544 1.00 0.00 O ATOM 0 H GLU A 107 7.456 -10.881 -14.305 1.00 0.00 H new ATOM 0 HA GLU A 107 9.923 -12.344 -14.929 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.189 -9.563 -14.045 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.784 -10.170 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.324 -10.510 -15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.672 -10.192 -16.470 1.00 0.00 H new ATOM 1750 N LEU A 108 9.201 -13.477 -12.606 1.00 0.00 N ATOM 1751 CA LEU A 108 9.335 -14.105 -11.296 1.00 0.00 C ATOM 1752 C LEU A 108 10.803 -14.329 -10.947 1.00 0.00 C ATOM 1753 O LEU A 108 11.285 -13.860 -9.917 1.00 0.00 O ATOM 1754 CB LEU A 108 8.582 -15.436 -11.267 1.00 0.00 C ATOM 1755 CG LEU A 108 7.096 -15.375 -11.622 1.00 0.00 C ATOM 1756 CD1 LEU A 108 6.561 -16.767 -11.920 1.00 0.00 C ATOM 1757 CD2 LEU A 108 6.305 -14.727 -10.496 1.00 0.00 C ATOM 0 H LEU A 108 8.794 -14.079 -13.322 1.00 0.00 H new ATOM 0 HA LEU A 108 8.903 -13.435 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.072 -16.123 -11.957 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.679 -15.864 -10.269 1.00 0.00 H new ATOM 0 HG LEU A 108 6.981 -14.765 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.502 -16.704 -12.171 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.108 -17.195 -12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.689 -17.401 -11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.250 -14.692 -10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.427 -15.310 -9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.671 -13.714 -10.331 1.00 0.00 H new ATOM 1769 N ALA A 109 11.508 -15.048 -11.814 1.00 0.00 N ATOM 1770 CA ALA A 109 12.922 -15.331 -11.600 1.00 0.00 C ATOM 1771 C ALA A 109 13.643 -14.119 -11.019 1.00 0.00 C ATOM 1772 O ALA A 109 14.599 -14.260 -10.257 1.00 0.00 O ATOM 1773 CB ALA A 109 13.577 -15.763 -12.903 1.00 0.00 C ATOM 0 H ALA A 109 11.123 -15.445 -12.671 1.00 0.00 H new ATOM 0 HA ALA A 109 12.999 -16.146 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 109 14.633 -15.971 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 109 13.087 -16.662 -13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 109 13.482 -14.966 -13.640 1.00 0.00 H new ATOM 1779 N ALA A 110 13.178 -12.929 -11.385 1.00 0.00 N ATOM 1780 CA ALA A 110 13.778 -11.693 -10.900 1.00 0.00 C ATOM 1781 C ALA A 110 14.060 -11.770 -9.403 1.00 0.00 C ATOM 1782 O ALA A 110 15.180 -11.518 -8.959 1.00 0.00 O ATOM 1783 CB ALA A 110 12.872 -10.510 -11.208 1.00 0.00 C ATOM 0 H ALA A 110 12.388 -12.795 -12.016 1.00 0.00 H new ATOM 0 HA ALA A 110 14.728 -11.553 -11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.333 -9.593 -10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.725 -10.435 -12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 110 11.908 -10.653 -10.719 1.00 0.00 H new ATOM 1789 N TRP A 111 13.038 -12.120 -8.631 1.00 0.00 N ATOM 1790 CA TRP A 111 13.177 -12.229 -7.183 1.00 0.00 C ATOM 1791 C TRP A 111 14.403 -13.058 -6.815 1.00 0.00 C ATOM 1792 O TRP A 111 14.863 -13.885 -7.602 1.00 0.00 O ATOM 1793 CB TRP A 111 11.921 -12.857 -6.576 1.00 0.00 C ATOM 1794 CG TRP A 111 10.648 -12.255 -7.091 1.00 0.00 C ATOM 1795 CD1 TRP A 111 9.565 -12.926 -7.582 1.00 0.00 C ATOM 1796 CD2 TRP A 111 10.328 -10.862 -7.167 1.00 0.00 C ATOM 1797 NE1 TRP A 111 8.590 -12.034 -7.959 1.00 0.00 N ATOM 1798 CE2 TRP A 111 9.034 -10.761 -7.714 1.00 0.00 C ATOM 1799 CE3 TRP A 111 11.008 -9.690 -6.825 1.00 0.00 C ATOM 1800 CZ2 TRP A 111 8.409 -9.535 -7.926 1.00 0.00 C ATOM 1801 CZ3 TRP A 111 10.386 -8.474 -7.036 1.00 0.00 C ATOM 1802 CH2 TRP A 111 9.098 -8.404 -7.582 1.00 0.00 C ATOM 0 H TRP A 111 12.105 -12.333 -8.983 1.00 0.00 H new ATOM 0 HA TRP A 111 13.305 -11.225 -6.778 1.00 0.00 H new ATOM 0 HB2 TRP A 111 11.920 -13.926 -6.786 1.00 0.00 H new ATOM 0 HB3 TRP A 111 11.955 -12.745 -5.492 1.00 0.00 H new ATOM 0 HD1 TRP A 111 9.486 -14.000 -7.662 1.00 0.00 H new ATOM 0 HE1 TRP A 111 7.683 -12.280 -8.357 1.00 0.00 H new ATOM 0 HE3 TRP A 111 12.001 -9.734 -6.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 7.416 -9.479 -8.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 10.902 -7.562 -6.775 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.640 -7.438 -7.735 1.00 0.00 H new ATOM 1813 N ARG A 112 14.927 -12.830 -5.615 1.00 0.00 N ATOM 1814 CA ARG A 112 16.100 -13.556 -5.144 1.00 0.00 C ATOM 1815 C ARG A 112 15.710 -14.609 -4.111 1.00 0.00 C ATOM 1816 O ARG A 112 14.586 -14.613 -3.608 1.00 0.00 O ATOM 1817 CB ARG A 112 17.117 -12.586 -4.540 1.00 0.00 C ATOM 1818 CG ARG A 112 18.118 -12.046 -5.548 1.00 0.00 C ATOM 1819 CD ARG A 112 18.758 -10.755 -5.062 1.00 0.00 C ATOM 1820 NE ARG A 112 17.819 -9.637 -5.081 1.00 0.00 N ATOM 1821 CZ ARG A 112 18.188 -8.365 -4.981 1.00 0.00 C ATOM 1822 NH1 ARG A 112 19.470 -8.052 -4.856 1.00 0.00 N ATOM 1823 NH2 ARG A 112 17.274 -7.404 -5.007 1.00 0.00 N ATOM 0 H ARG A 112 14.558 -12.149 -4.952 1.00 0.00 H new ATOM 0 HA ARG A 112 16.551 -14.060 -5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 112 16.584 -11.750 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 112 17.657 -13.091 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.892 -12.792 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 112 17.618 -11.869 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 112 19.133 -10.896 -4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 112 19.617 -10.518 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 112 16.825 -9.844 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 112 20.175 -8.789 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 112 19.751 -7.075 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 112 16.287 -7.642 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 112 17.558 -6.427 -4.930 1.00 0.00 H new ATOM 1837 N ARG A 113 16.645 -15.501 -3.801 1.00 0.00 N ATOM 1838 CA ARG A 113 16.398 -16.560 -2.830 1.00 0.00 C ATOM 1839 C ARG A 113 17.401 -16.489 -1.682 1.00 0.00 C ATOM 1840 O ARG A 113 17.948 -17.508 -1.258 1.00 0.00 O ATOM 1841 CB ARG A 113 16.477 -17.930 -3.506 1.00 0.00 C ATOM 1842 CG ARG A 113 15.289 -18.235 -4.404 1.00 0.00 C ATOM 1843 CD ARG A 113 14.057 -18.604 -3.591 1.00 0.00 C ATOM 1844 NE ARG A 113 14.118 -19.978 -3.100 1.00 0.00 N ATOM 1845 CZ ARG A 113 13.757 -21.034 -3.822 1.00 0.00 C ATOM 1846 NH1 ARG A 113 13.312 -20.873 -5.061 1.00 0.00 N ATOM 1847 NH2 ARG A 113 13.840 -22.253 -3.305 1.00 0.00 N ATOM 0 H ARG A 113 17.580 -15.511 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 113 15.396 -16.420 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 113 17.391 -17.982 -4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.549 -18.701 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.069 -17.367 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 113 15.541 -19.054 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.962 -17.921 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.166 -18.478 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 113 14.456 -20.136 -2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.246 -19.937 -5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.036 -21.685 -5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.181 -22.381 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.563 -23.062 -3.860 1.00 0.00 H new ATOM 1861 N ARG A 114 17.637 -15.280 -1.183 1.00 0.00 N ATOM 1862 CA ARG A 114 18.575 -15.077 -0.085 1.00 0.00 C ATOM 1863 C ARG A 114 18.178 -15.908 1.131 1.00 0.00 C ATOM 1864 O ARG A 114 17.221 -15.583 1.832 1.00 0.00 O ATOM 1865 CB ARG A 114 18.636 -13.596 0.294 1.00 0.00 C ATOM 1866 CG ARG A 114 19.968 -13.174 0.892 1.00 0.00 C ATOM 1867 CD ARG A 114 20.028 -13.471 2.382 1.00 0.00 C ATOM 1868 NE ARG A 114 19.203 -12.549 3.158 1.00 0.00 N ATOM 1869 CZ ARG A 114 19.125 -12.569 4.484 1.00 0.00 C ATOM 1870 NH1 ARG A 114 19.819 -13.460 5.178 1.00 0.00 N ATOM 1871 NH2 ARG A 114 18.352 -11.697 5.118 1.00 0.00 N ATOM 0 H ARG A 114 17.192 -14.427 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 114 19.561 -15.401 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 114 18.439 -12.994 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 114 17.842 -13.380 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.778 -13.696 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 114 20.121 -12.108 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 114 19.696 -14.493 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 114 21.061 -13.407 2.723 1.00 0.00 H new ATOM 0 HE ARG A 114 18.656 -11.851 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 114 20.414 -14.132 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 114 19.758 -13.474 6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 114 17.817 -11.010 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 114 18.293 -11.714 6.136 1.00 0.00 H new ATOM 1885 N SER A 115 18.921 -16.984 1.374 1.00 0.00 N ATOM 1886 CA SER A 115 18.644 -17.865 2.502 1.00 0.00 C ATOM 1887 C SER A 115 18.927 -17.160 3.824 1.00 0.00 C ATOM 1888 O SER A 115 19.942 -16.479 3.973 1.00 0.00 O ATOM 1889 CB SER A 115 19.484 -19.139 2.400 1.00 0.00 C ATOM 1890 OG SER A 115 18.895 -20.199 3.133 1.00 0.00 O ATOM 0 H SER A 115 19.719 -17.266 0.805 1.00 0.00 H new ATOM 0 HA SER A 115 17.588 -18.132 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 115 19.585 -19.429 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 115 20.489 -18.947 2.776 1.00 0.00 H new ATOM 0 HG SER A 115 19.450 -21.002 3.050 1.00 0.00 H new ATOM 1896 N GLY A 116 18.022 -17.328 4.784 1.00 0.00 N ATOM 1897 CA GLY A 116 18.193 -16.702 6.082 1.00 0.00 C ATOM 1898 C GLY A 116 16.923 -16.728 6.910 1.00 0.00 C ATOM 1899 O GLY A 116 16.624 -17.706 7.596 1.00 0.00 O ATOM 0 H GLY A 116 17.174 -17.886 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 116 18.988 -17.212 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 116 18.512 -15.669 5.945 1.00 0.00 H new ATOM 1903 N PRO A 117 16.151 -15.633 6.852 1.00 0.00 N ATOM 1904 CA PRO A 117 14.895 -15.509 7.597 1.00 0.00 C ATOM 1905 C PRO A 117 13.805 -16.425 7.051 1.00 0.00 C ATOM 1906 O PRO A 117 12.830 -16.725 7.740 1.00 0.00 O ATOM 1907 CB PRO A 117 14.509 -14.041 7.400 1.00 0.00 C ATOM 1908 CG PRO A 117 15.166 -13.644 6.123 1.00 0.00 C ATOM 1909 CD PRO A 117 16.446 -14.430 6.055 1.00 0.00 C ATOM 0 HA PRO A 117 15.011 -15.797 8.642 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.427 -13.920 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.855 -13.426 8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 117 14.526 -13.866 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.364 -12.572 6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 117 16.708 -14.683 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 117 17.284 -13.869 6.469 1.00 0.00 H new ATOM 1917 N SER A 118 13.976 -16.865 5.808 1.00 0.00 N ATOM 1918 CA SER A 118 13.004 -17.744 5.168 1.00 0.00 C ATOM 1919 C SER A 118 12.380 -18.696 6.185 1.00 0.00 C ATOM 1920 O SER A 118 13.075 -19.500 6.806 1.00 0.00 O ATOM 1921 CB SER A 118 13.670 -18.543 4.046 1.00 0.00 C ATOM 1922 OG SER A 118 14.356 -19.672 4.561 1.00 0.00 O ATOM 0 H SER A 118 14.778 -16.627 5.225 1.00 0.00 H new ATOM 0 HA SER A 118 12.214 -17.124 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.916 -18.868 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.369 -17.904 3.506 1.00 0.00 H new ATOM 0 HG SER A 118 14.249 -19.704 5.535 1.00 0.00 H new ATOM 1928 N SER A 119 11.065 -18.598 6.348 1.00 0.00 N ATOM 1929 CA SER A 119 10.346 -19.446 7.291 1.00 0.00 C ATOM 1930 C SER A 119 10.837 -20.888 7.207 1.00 0.00 C ATOM 1931 O SER A 119 11.063 -21.539 8.227 1.00 0.00 O ATOM 1932 CB SER A 119 8.842 -19.391 7.016 1.00 0.00 C ATOM 1933 OG SER A 119 8.116 -20.094 8.009 1.00 0.00 O ATOM 0 H SER A 119 10.475 -17.939 5.839 1.00 0.00 H new ATOM 0 HA SER A 119 10.538 -19.072 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.512 -18.352 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.632 -19.820 6.036 1.00 0.00 H new ATOM 0 HG SER A 119 7.158 -20.043 7.811 1.00 0.00 H new ATOM 1939 N GLY A 120 11.000 -21.382 5.984 1.00 0.00 N ATOM 1940 CA GLY A 120 11.463 -22.743 5.788 1.00 0.00 C ATOM 1941 C GLY A 120 10.956 -23.348 4.494 1.00 0.00 C ATOM 1942 O GLY A 120 11.486 -24.353 4.021 1.00 0.00 O ATOM 0 H GLY A 120 10.819 -20.863 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 120 12.553 -22.756 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 120 11.136 -23.359 6.626 1.00 0.00 H new TER 1946 GLY A 120