USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 773 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 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 87 GLN : amide:sc= -2.49! K(o=-4.9!,f=-1.8) USER MOD Set 2.2: A 91 GLN : amide:sc= -2.42! K(o=-4.9!,f=-1.6) USER MOD Set 3.1: A 76 HIS : no HD1:sc= -7.54! C(o=-15!,f=-17!) USER MOD Set 3.2: A 79 GLN : amide:sc= -7.76! C(o=-15!,f=-17!) USER MOD Set 4.1: A 65 LYS NZ :NH3+ 164:sc= -0.527 (180deg=-1.05) USER MOD Set 4.2: A 84 THR OG1 : rot 68:sc= 1.07 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.23 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -98:sc= 0.522 USER MOD Single : A 15 HIS : no HD1:sc= -5.33! K(o=-5.3!,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 89:sc= 0.09 USER MOD Single : A 39 CYS SG : rot -48:sc= -0.658 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 52:sc= -5.47! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.861 X(o=-0.86,f=-0.43) USER MOD Single : A 75 SER OG : rot -83:sc= 1.2 USER MOD Single : A 80 GLN : amide:sc= -2.04! C(o=-2!,f=-2.2!) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.346 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -9:sc= 0.738! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -4.656 -8.649 -7.636 1.00 0.00 N ATOM 2 CA GLY A 0 -3.733 -9.570 -6.994 1.00 0.00 C ATOM 3 C GLY A 0 -2.878 -10.301 -8.031 1.00 0.00 C ATOM 4 O GLY A 0 -3.248 -11.377 -8.497 1.00 0.00 O ATOM 0 H1 GLY A 0 -5.224 -8.166 -6.911 1.00 0.00 H new ATOM 0 H2 GLY A 0 -4.120 -7.945 -8.182 1.00 0.00 H new ATOM 0 H3 GLY A 0 -5.285 -9.177 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -3.088 -9.024 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -4.291 -10.295 -6.401 1.00 0.00 H new ATOM 8 N SER A 1 -1.751 -9.687 -8.361 1.00 0.00 N ATOM 9 CA SER A 1 -0.841 -10.266 -9.334 1.00 0.00 C ATOM 10 C SER A 1 -1.546 -10.418 -10.684 1.00 0.00 C ATOM 11 O SER A 1 -2.326 -11.349 -10.880 1.00 0.00 O ATOM 12 CB SER A 1 -0.312 -11.620 -8.856 1.00 0.00 C ATOM 13 OG SER A 1 1.106 -11.620 -8.716 1.00 0.00 O ATOM 0 H SER A 1 -1.448 -8.794 -7.972 1.00 0.00 H new ATOM 0 HA SER A 1 0.010 -9.594 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.771 -11.871 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.606 -12.395 -9.564 1.00 0.00 H new ATOM 0 HG SER A 1 1.404 -12.501 -8.408 1.00 0.00 H new ATOM 19 N SER A 2 -1.246 -9.490 -11.580 1.00 0.00 N ATOM 20 CA SER A 2 -1.840 -9.509 -12.906 1.00 0.00 C ATOM 21 C SER A 2 -3.355 -9.319 -12.802 1.00 0.00 C ATOM 22 O SER A 2 -4.055 -10.170 -12.256 1.00 0.00 O ATOM 23 CB SER A 2 -1.518 -10.815 -13.635 1.00 0.00 C ATOM 24 OG SER A 2 -1.341 -10.614 -15.035 1.00 0.00 O ATOM 0 H SER A 2 -0.599 -8.719 -11.414 1.00 0.00 H new ATOM 0 HA SER A 2 -1.415 -8.688 -13.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.612 -11.252 -13.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.324 -11.531 -13.470 1.00 0.00 H new ATOM 0 HG SER A 2 -1.135 -11.470 -15.465 1.00 0.00 H new ATOM 30 N GLY A 3 -3.816 -8.198 -13.336 1.00 0.00 N ATOM 31 CA GLY A 3 -5.235 -7.885 -13.311 1.00 0.00 C ATOM 32 C GLY A 3 -5.739 -7.509 -14.706 1.00 0.00 C ATOM 33 O GLY A 3 -5.035 -7.701 -15.696 1.00 0.00 O ATOM 0 H GLY A 3 -3.232 -7.495 -13.789 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.794 -8.743 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.417 -7.061 -12.621 1.00 0.00 H new ATOM 37 N SER A 4 -6.953 -6.981 -14.739 1.00 0.00 N ATOM 38 CA SER A 4 -7.559 -6.576 -15.996 1.00 0.00 C ATOM 39 C SER A 4 -7.992 -5.111 -15.921 1.00 0.00 C ATOM 40 O SER A 4 -7.523 -4.281 -16.699 1.00 0.00 O ATOM 41 CB SER A 4 -8.756 -7.465 -16.342 1.00 0.00 C ATOM 42 OG SER A 4 -8.424 -8.451 -17.317 1.00 0.00 O ATOM 0 H SER A 4 -7.534 -6.824 -13.915 1.00 0.00 H new ATOM 0 HA SER A 4 -6.816 -6.689 -16.785 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.117 -7.956 -15.438 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.572 -6.846 -16.715 1.00 0.00 H new ATOM 0 HG SER A 4 -9.213 -8.999 -17.510 1.00 0.00 H new ATOM 48 N SER A 5 -8.881 -4.837 -14.978 1.00 0.00 N ATOM 49 CA SER A 5 -9.382 -3.485 -14.791 1.00 0.00 C ATOM 50 C SER A 5 -9.324 -3.106 -13.310 1.00 0.00 C ATOM 51 O SER A 5 -9.144 -3.968 -12.452 1.00 0.00 O ATOM 52 CB SER A 5 -10.811 -3.350 -15.319 1.00 0.00 C ATOM 53 OG SER A 5 -10.949 -2.246 -16.210 1.00 0.00 O ATOM 0 H SER A 5 -9.268 -5.528 -14.335 1.00 0.00 H new ATOM 0 HA SER A 5 -8.748 -2.803 -15.358 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.096 -4.268 -15.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.497 -3.227 -14.481 1.00 0.00 H new ATOM 0 HG SER A 5 -11.875 -2.195 -16.526 1.00 0.00 H new ATOM 59 N GLY A 6 -9.481 -1.815 -13.056 1.00 0.00 N ATOM 60 CA GLY A 6 -9.450 -1.311 -11.694 1.00 0.00 C ATOM 61 C GLY A 6 -8.021 -1.296 -11.148 1.00 0.00 C ATOM 62 O GLY A 6 -7.333 -2.316 -11.171 1.00 0.00 O ATOM 0 H GLY A 6 -9.630 -1.103 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.865 -0.303 -11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.080 -1.933 -11.058 1.00 0.00 H new ATOM 66 N THR A 7 -7.616 -0.129 -10.670 1.00 0.00 N ATOM 67 CA THR A 7 -6.282 0.033 -10.118 1.00 0.00 C ATOM 68 C THR A 7 -6.316 -0.087 -8.594 1.00 0.00 C ATOM 69 O THR A 7 -7.352 0.146 -7.972 1.00 0.00 O ATOM 70 CB THR A 7 -5.725 1.370 -10.610 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.827 2.267 -10.496 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.409 1.358 -12.107 1.00 0.00 C ATOM 0 H THR A 7 -8.189 0.715 -10.654 1.00 0.00 H new ATOM 0 HA THR A 7 -5.615 -0.759 -10.459 1.00 0.00 H new ATOM 0 HB THR A 7 -4.822 1.615 -10.050 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.607 3.114 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.017 2.331 -12.404 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.666 0.588 -12.316 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.319 1.147 -12.669 1.00 0.00 H new ATOM 80 N PRO A 8 -5.141 -0.461 -8.020 1.00 0.00 N ATOM 81 CA PRO A 8 -5.027 -0.615 -6.579 1.00 0.00 C ATOM 82 C PRO A 8 -4.973 0.748 -5.885 1.00 0.00 C ATOM 83 O PRO A 8 -5.665 0.971 -4.893 1.00 0.00 O ATOM 84 CB PRO A 8 -3.767 -1.438 -6.370 1.00 0.00 C ATOM 85 CG PRO A 8 -2.973 -1.320 -7.661 1.00 0.00 C ATOM 86 CD PRO A 8 -3.894 -0.745 -8.724 1.00 0.00 C ATOM 0 HA PRO A 8 -5.890 -1.115 -6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.192 -1.064 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.011 -2.478 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.106 -0.675 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.597 -2.296 -7.969 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.474 0.159 -9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.051 -1.454 -9.537 1.00 0.00 H new ATOM 94 N LEU A 9 -4.145 1.624 -6.434 1.00 0.00 N ATOM 95 CA LEU A 9 -3.991 2.958 -5.880 1.00 0.00 C ATOM 96 C LEU A 9 -5.367 3.616 -5.759 1.00 0.00 C ATOM 97 O LEU A 9 -5.707 4.162 -4.710 1.00 0.00 O ATOM 98 CB LEU A 9 -2.992 3.770 -6.707 1.00 0.00 C ATOM 99 CG LEU A 9 -2.189 4.824 -5.942 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.870 6.025 -6.835 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.911 5.239 -4.659 1.00 0.00 C ATOM 0 H LEU A 9 -3.573 1.436 -7.257 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.571 2.907 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.292 3.079 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.535 4.268 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.238 4.381 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.299 6.759 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.285 5.695 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.799 6.477 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.319 5.989 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.886 5.657 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.043 4.368 -4.018 1.00 0.00 H new ATOM 113 N SER A 10 -6.121 3.543 -6.846 1.00 0.00 N ATOM 114 CA SER A 10 -7.452 4.124 -6.874 1.00 0.00 C ATOM 115 C SER A 10 -8.361 3.400 -5.879 1.00 0.00 C ATOM 116 O SER A 10 -9.087 4.038 -5.118 1.00 0.00 O ATOM 117 CB SER A 10 -8.050 4.063 -8.281 1.00 0.00 C ATOM 118 OG SER A 10 -8.957 5.136 -8.522 1.00 0.00 O ATOM 0 H SER A 10 -5.835 3.090 -7.714 1.00 0.00 H new ATOM 0 HA SER A 10 -7.373 5.173 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.247 4.094 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.568 3.113 -8.414 1.00 0.00 H new ATOM 0 HG SER A 10 -9.316 5.063 -9.431 1.00 0.00 H new ATOM 124 N LEU A 11 -8.292 2.078 -5.917 1.00 0.00 N ATOM 125 CA LEU A 11 -9.099 1.260 -5.028 1.00 0.00 C ATOM 126 C LEU A 11 -8.829 1.670 -3.579 1.00 0.00 C ATOM 127 O LEU A 11 -9.761 1.932 -2.820 1.00 0.00 O ATOM 128 CB LEU A 11 -8.859 -0.226 -5.301 1.00 0.00 C ATOM 129 CG LEU A 11 -9.492 -0.785 -6.577 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.700 -1.982 -7.104 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.967 -1.126 -6.353 1.00 0.00 C ATOM 0 H LEU A 11 -7.689 1.552 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.160 1.427 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.784 -0.397 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.236 -0.796 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.453 -0.012 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.172 -2.360 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.679 -1.673 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.684 -2.768 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.393 -1.521 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.052 -1.874 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.508 -0.226 -6.060 1.00 0.00 H new ATOM 143 N THR A 12 -7.550 1.712 -3.238 1.00 0.00 N ATOM 144 CA THR A 12 -7.145 2.086 -1.893 1.00 0.00 C ATOM 145 C THR A 12 -7.552 3.531 -1.596 1.00 0.00 C ATOM 146 O THR A 12 -7.851 3.873 -0.453 1.00 0.00 O ATOM 147 CB THR A 12 -5.640 1.840 -1.766 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.105 2.324 -2.995 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.288 0.352 -1.767 1.00 0.00 C ATOM 0 H THR A 12 -6.780 1.493 -3.870 1.00 0.00 H new ATOM 0 HA THR A 12 -7.652 1.478 -1.144 1.00 0.00 H new ATOM 0 HB THR A 12 -5.273 2.299 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.966 1.573 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.208 0.233 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.780 -0.139 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.624 -0.101 -2.700 1.00 0.00 H new ATOM 157 N LEU A 13 -7.552 4.340 -2.645 1.00 0.00 N ATOM 158 CA LEU A 13 -7.917 5.739 -2.511 1.00 0.00 C ATOM 159 C LEU A 13 -9.431 5.851 -2.319 1.00 0.00 C ATOM 160 O LEU A 13 -9.900 6.625 -1.486 1.00 0.00 O ATOM 161 CB LEU A 13 -7.387 6.548 -3.697 1.00 0.00 C ATOM 162 CG LEU A 13 -5.997 7.162 -3.522 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.138 6.316 -2.579 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.318 7.379 -4.876 1.00 0.00 C ATOM 0 H LEU A 13 -7.305 4.053 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.450 6.171 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.369 5.901 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.093 7.351 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.113 8.142 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.155 6.775 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.619 6.257 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.027 5.312 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.332 7.816 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.215 6.423 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.923 8.053 -5.483 1.00 0.00 H new ATOM 176 N ASP A 14 -10.154 5.065 -3.104 1.00 0.00 N ATOM 177 CA ASP A 14 -11.605 5.066 -3.030 1.00 0.00 C ATOM 178 C ASP A 14 -12.041 4.650 -1.624 1.00 0.00 C ATOM 179 O ASP A 14 -13.028 5.163 -1.099 1.00 0.00 O ATOM 180 CB ASP A 14 -12.207 4.071 -4.025 1.00 0.00 C ATOM 181 CG ASP A 14 -12.482 4.637 -5.420 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.660 5.465 -5.868 1.00 0.00 O ATOM 183 OD2 ASP A 14 -13.507 4.228 -6.006 1.00 0.00 O ATOM 0 H ASP A 14 -9.762 4.424 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.954 6.071 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.530 3.222 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.141 3.689 -3.614 1.00 0.00 H new ATOM 188 N HIS A 15 -11.283 3.725 -1.053 1.00 0.00 N ATOM 189 CA HIS A 15 -11.578 3.235 0.282 1.00 0.00 C ATOM 190 C HIS A 15 -10.542 3.777 1.269 1.00 0.00 C ATOM 191 O HIS A 15 -10.142 3.080 2.200 1.00 0.00 O ATOM 192 CB HIS A 15 -11.666 1.708 0.293 1.00 0.00 C ATOM 193 CG HIS A 15 -12.957 1.162 -0.267 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.200 1.542 0.208 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.186 0.263 -1.267 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.128 0.894 -0.482 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.497 0.102 -1.395 1.00 0.00 N ATOM 0 H HIS A 15 -10.465 3.302 -1.491 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.555 3.599 0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.833 1.302 -0.281 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.549 1.355 1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.429 -0.234 -1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.196 0.979 -0.345 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.957 -0.513 -2.066 1.00 0.00 H new ATOM 205 N TRP A 16 -10.137 5.016 1.030 1.00 0.00 N ATOM 206 CA TRP A 16 -9.154 5.659 1.886 1.00 0.00 C ATOM 207 C TRP A 16 -9.582 5.446 3.340 1.00 0.00 C ATOM 208 O TRP A 16 -8.740 5.260 4.217 1.00 0.00 O ATOM 209 CB TRP A 16 -8.993 7.136 1.521 1.00 0.00 C ATOM 210 CG TRP A 16 -7.951 7.875 2.364 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.110 9.004 3.068 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.575 7.488 2.562 1.00 0.00 C ATOM 213 NE1 TRP A 16 -6.941 9.372 3.704 1.00 0.00 N ATOM 214 CE2 TRP A 16 -5.978 8.421 3.386 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.858 6.387 2.062 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.638 8.347 3.783 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.519 6.328 2.467 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.904 7.259 3.296 1.00 0.00 C ATOM 0 H TRP A 16 -10.471 5.591 0.257 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.169 5.215 1.744 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.715 7.212 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.956 7.634 1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.036 9.557 3.130 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.808 10.191 4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.305 5.645 1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.194 9.089 4.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.922 5.501 2.110 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.864 7.143 3.563 1.00 0.00 H new ATOM 229 N SER A 17 -10.889 5.479 3.550 1.00 0.00 N ATOM 230 CA SER A 17 -11.438 5.291 4.882 1.00 0.00 C ATOM 231 C SER A 17 -10.930 3.977 5.477 1.00 0.00 C ATOM 232 O SER A 17 -10.521 3.933 6.636 1.00 0.00 O ATOM 233 CB SER A 17 -12.968 5.305 4.854 1.00 0.00 C ATOM 234 OG SER A 17 -13.521 5.725 6.098 1.00 0.00 O ATOM 0 H SER A 17 -11.584 5.633 2.820 1.00 0.00 H new ATOM 0 HA SER A 17 -11.105 6.118 5.509 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.310 5.971 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.335 4.308 4.612 1.00 0.00 H new ATOM 0 HG SER A 17 -14.499 5.722 6.039 1.00 0.00 H new ATOM 240 N GLU A 18 -10.972 2.937 4.657 1.00 0.00 N ATOM 241 CA GLU A 18 -10.521 1.625 5.088 1.00 0.00 C ATOM 242 C GLU A 18 -9.023 1.655 5.401 1.00 0.00 C ATOM 243 O GLU A 18 -8.578 1.060 6.381 1.00 0.00 O ATOM 244 CB GLU A 18 -10.839 0.562 4.035 1.00 0.00 C ATOM 245 CG GLU A 18 -10.073 -0.732 4.312 1.00 0.00 C ATOM 246 CD GLU A 18 -10.443 -1.306 5.682 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.644 -1.232 6.022 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.517 -1.804 6.358 1.00 0.00 O ATOM 0 H GLU A 18 -11.312 2.977 3.696 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.058 1.359 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.910 0.360 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.580 0.937 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.295 -1.464 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.001 -0.540 4.272 1.00 0.00 H new ATOM 255 N ILE A 19 -8.287 2.354 4.549 1.00 0.00 N ATOM 256 CA ILE A 19 -6.849 2.469 4.722 1.00 0.00 C ATOM 257 C ILE A 19 -6.556 3.266 5.995 1.00 0.00 C ATOM 258 O ILE A 19 -5.590 2.980 6.702 1.00 0.00 O ATOM 259 CB ILE A 19 -6.204 3.058 3.466 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.827 2.466 2.201 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.684 2.878 3.495 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.900 0.940 2.287 1.00 0.00 C ATOM 0 H ILE A 19 -8.660 2.846 3.737 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.400 1.484 4.851 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.401 4.130 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.828 2.874 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.238 2.757 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.250 3.305 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.274 3.385 4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.444 1.816 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.347 0.545 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.895 0.534 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.510 0.653 3.144 1.00 0.00 H new ATOM 274 N ARG A 20 -7.407 4.249 6.250 1.00 0.00 N ATOM 275 CA ARG A 20 -7.251 5.088 7.425 1.00 0.00 C ATOM 276 C ARG A 20 -7.602 4.302 8.690 1.00 0.00 C ATOM 277 O ARG A 20 -7.104 4.606 9.773 1.00 0.00 O ATOM 278 CB ARG A 20 -8.143 6.328 7.339 1.00 0.00 C ATOM 279 CG ARG A 20 -7.618 7.311 6.291 1.00 0.00 C ATOM 280 CD ARG A 20 -8.050 8.742 6.616 1.00 0.00 C ATOM 281 NE ARG A 20 -9.525 8.847 6.578 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.220 9.869 7.095 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.577 10.881 7.693 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.557 9.880 7.014 1.00 0.00 N ATOM 0 H ARG A 20 -8.207 4.483 5.662 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.209 5.406 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.161 6.031 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.186 6.817 8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.530 7.257 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.990 7.030 5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.682 9.026 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.609 9.435 5.899 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.046 8.093 6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.559 10.873 7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.106 11.659 8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.047 9.110 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.085 10.658 7.408 1.00 0.00 H new ATOM 298 N SER A 21 -8.457 3.306 8.510 1.00 0.00 N ATOM 299 CA SER A 21 -8.881 2.474 9.623 1.00 0.00 C ATOM 300 C SER A 21 -7.752 1.523 10.026 1.00 0.00 C ATOM 301 O SER A 21 -7.431 1.400 11.207 1.00 0.00 O ATOM 302 CB SER A 21 -10.141 1.681 9.269 1.00 0.00 C ATOM 303 OG SER A 21 -11.188 1.893 10.213 1.00 0.00 O ATOM 0 H SER A 21 -8.867 3.057 7.610 1.00 0.00 H new ATOM 0 HA SER A 21 -9.118 3.124 10.465 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.484 1.970 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.901 0.619 9.226 1.00 0.00 H new ATOM 0 HG SER A 21 -11.975 1.371 9.951 1.00 0.00 H new ATOM 309 N ARG A 22 -7.179 0.877 9.021 1.00 0.00 N ATOM 310 CA ARG A 22 -6.092 -0.059 9.256 1.00 0.00 C ATOM 311 C ARG A 22 -4.954 0.629 10.013 1.00 0.00 C ATOM 312 O ARG A 22 -4.247 -0.009 10.791 1.00 0.00 O ATOM 313 CB ARG A 22 -5.553 -0.618 7.938 1.00 0.00 C ATOM 314 CG ARG A 22 -6.692 -1.120 7.048 1.00 0.00 C ATOM 315 CD ARG A 22 -6.510 -2.601 6.708 1.00 0.00 C ATOM 316 NE ARG A 22 -7.357 -2.961 5.548 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.604 -4.219 5.161 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.072 -5.246 5.838 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.384 -4.451 4.096 1.00 0.00 N ATOM 0 H ARG A 22 -7.447 0.983 8.042 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.485 -0.882 9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.991 0.155 7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.859 -1.434 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.646 -0.974 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.726 -0.534 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.463 -2.805 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.776 -3.216 7.568 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.779 -2.204 5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.479 -5.070 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.261 -6.204 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.789 -3.670 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.572 -5.409 3.801 1.00 0.00 H new ATOM 333 N ALA A 23 -4.814 1.922 9.760 1.00 0.00 N ATOM 334 CA ALA A 23 -3.774 2.703 10.408 1.00 0.00 C ATOM 335 C ALA A 23 -4.125 2.884 11.886 1.00 0.00 C ATOM 336 O ALA A 23 -3.245 2.849 12.745 1.00 0.00 O ATOM 337 CB ALA A 23 -3.610 4.039 9.680 1.00 0.00 C ATOM 0 H ALA A 23 -5.403 2.448 9.115 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.817 2.184 10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.830 4.625 10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.333 3.856 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.550 4.589 9.713 1.00 0.00 H new ATOM 343 N HIS A 24 -5.412 3.072 12.137 1.00 0.00 N ATOM 344 CA HIS A 24 -5.890 3.258 13.497 1.00 0.00 C ATOM 345 C HIS A 24 -5.674 1.972 14.297 1.00 0.00 C ATOM 346 O HIS A 24 -5.255 2.019 15.453 1.00 0.00 O ATOM 347 CB HIS A 24 -7.348 3.722 13.502 1.00 0.00 C ATOM 348 CG HIS A 24 -7.585 4.994 14.281 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.229 5.013 15.506 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.258 6.287 13.997 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.282 6.267 15.931 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.680 7.055 14.994 1.00 0.00 N ATOM 0 H HIS A 24 -6.139 3.100 11.422 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.317 4.048 13.983 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.674 3.872 12.473 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.969 2.930 13.921 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.743 6.628 13.111 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.724 6.606 16.856 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.572 8.068 15.050 1.00 0.00 H new ATOM 360 N ASN A 25 -5.970 0.854 13.651 1.00 0.00 N ATOM 361 CA ASN A 25 -5.814 -0.442 14.288 1.00 0.00 C ATOM 362 C ASN A 25 -4.328 -0.706 14.539 1.00 0.00 C ATOM 363 O ASN A 25 -3.962 -1.298 15.553 1.00 0.00 O ATOM 364 CB ASN A 25 -6.349 -1.563 13.394 1.00 0.00 C ATOM 365 CG ASN A 25 -7.275 -2.495 14.178 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.859 -3.490 14.748 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.550 -2.118 14.176 1.00 0.00 N ATOM 0 H ASN A 25 -6.317 0.819 12.693 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.374 -0.428 15.223 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.889 -1.134 12.550 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.516 -2.134 12.983 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.247 -2.674 14.672 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.831 -1.273 13.678 1.00 0.00 H new ATOM 374 N LEU A 26 -3.512 -0.255 13.598 1.00 0.00 N ATOM 375 CA LEU A 26 -2.074 -0.435 13.705 1.00 0.00 C ATOM 376 C LEU A 26 -1.492 0.663 14.596 1.00 0.00 C ATOM 377 O LEU A 26 -0.380 0.530 15.106 1.00 0.00 O ATOM 378 CB LEU A 26 -1.438 -0.501 12.315 1.00 0.00 C ATOM 379 CG LEU A 26 -1.865 -1.678 11.436 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.347 -1.512 10.007 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.430 -3.009 12.053 1.00 0.00 C ATOM 0 H LEU A 26 -3.819 0.235 12.758 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.843 -1.388 14.181 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.670 0.424 11.787 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.355 -0.537 12.434 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.954 -1.688 11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.665 -2.362 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.748 -0.593 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.258 -1.462 10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.746 -3.829 11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.345 -3.025 12.156 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.889 -3.122 13.035 1.00 0.00 H new ATOM 393 N SER A 27 -2.269 1.724 14.758 1.00 0.00 N ATOM 394 CA SER A 27 -1.844 2.845 15.579 1.00 0.00 C ATOM 395 C SER A 27 -0.846 3.711 14.807 1.00 0.00 C ATOM 396 O SER A 27 0.231 4.022 15.312 1.00 0.00 O ATOM 397 CB SER A 27 -1.223 2.362 16.892 1.00 0.00 C ATOM 398 OG SER A 27 -1.205 3.386 17.882 1.00 0.00 O ATOM 0 H SER A 27 -3.191 1.831 14.334 1.00 0.00 H new ATOM 0 HA SER A 27 -2.722 3.443 15.822 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.785 1.506 17.266 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.205 2.019 16.707 1.00 0.00 H new ATOM 0 HG SER A 27 -0.803 3.038 18.705 1.00 0.00 H new ATOM 404 N VAL A 28 -1.241 4.075 13.596 1.00 0.00 N ATOM 405 CA VAL A 28 -0.394 4.899 12.750 1.00 0.00 C ATOM 406 C VAL A 28 -1.266 5.884 11.968 1.00 0.00 C ATOM 407 O VAL A 28 -2.446 5.625 11.736 1.00 0.00 O ATOM 408 CB VAL A 28 0.463 4.012 11.845 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.595 3.354 12.637 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.394 2.961 11.136 1.00 0.00 C ATOM 0 H VAL A 28 -2.135 3.815 13.181 1.00 0.00 H new ATOM 0 HA VAL A 28 0.296 5.485 13.356 1.00 0.00 H new ATOM 0 HB VAL A 28 0.913 4.647 11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.189 2.729 11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.230 4.125 13.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.173 2.739 13.432 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.240 2.344 10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.885 2.331 11.878 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.148 3.458 10.525 1.00 0.00 H new ATOM 420 N GLU A 29 -0.652 6.993 11.584 1.00 0.00 N ATOM 421 CA GLU A 29 -1.358 8.018 10.834 1.00 0.00 C ATOM 422 C GLU A 29 -0.750 8.167 9.438 1.00 0.00 C ATOM 423 O GLU A 29 0.469 8.122 9.280 1.00 0.00 O ATOM 424 CB GLU A 29 -1.345 9.352 11.582 1.00 0.00 C ATOM 425 CG GLU A 29 -2.757 9.750 12.017 1.00 0.00 C ATOM 426 CD GLU A 29 -2.762 10.264 13.459 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.540 9.427 14.360 1.00 0.00 O ATOM 428 OE2 GLU A 29 -2.987 11.482 13.626 1.00 0.00 O ATOM 0 H GLU A 29 0.327 7.204 11.778 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.398 7.710 10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.699 9.276 12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.925 10.128 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.143 10.522 11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.424 8.892 11.931 1.00 0.00 H new ATOM 435 N ILE A 30 -1.627 8.341 8.460 1.00 0.00 N ATOM 436 CA ILE A 30 -1.192 8.496 7.083 1.00 0.00 C ATOM 437 C ILE A 30 -2.098 9.508 6.378 1.00 0.00 C ATOM 438 O ILE A 30 -3.230 9.735 6.802 1.00 0.00 O ATOM 439 CB ILE A 30 -1.128 7.137 6.384 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.516 6.498 6.301 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.114 6.217 7.066 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.415 5.013 5.946 1.00 0.00 C ATOM 0 H ILE A 30 -2.637 8.378 8.595 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.178 8.894 7.047 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.784 7.294 5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.031 6.613 7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.114 7.015 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.088 5.258 6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.874 6.675 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.405 6.062 8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.415 4.583 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.921 4.902 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.837 4.495 6.711 1.00 0.00 H new ATOM 454 N LYS A 31 -1.565 10.090 5.313 1.00 0.00 N ATOM 455 CA LYS A 31 -2.311 11.072 4.545 1.00 0.00 C ATOM 456 C LYS A 31 -2.677 10.478 3.184 1.00 0.00 C ATOM 457 O LYS A 31 -2.130 9.452 2.783 1.00 0.00 O ATOM 458 CB LYS A 31 -1.530 12.385 4.453 1.00 0.00 C ATOM 459 CG LYS A 31 -1.750 13.242 5.701 1.00 0.00 C ATOM 460 CD LYS A 31 -3.205 13.705 5.800 1.00 0.00 C ATOM 461 CE LYS A 31 -3.920 13.021 6.967 1.00 0.00 C ATOM 462 NZ LYS A 31 -5.356 13.376 6.975 1.00 0.00 N ATOM 0 H LYS A 31 -0.625 9.900 4.964 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.246 11.318 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.467 12.173 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.844 12.938 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.486 12.670 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.090 14.109 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.238 14.786 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.726 13.482 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.807 11.940 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.460 13.321 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.826 12.903 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.458 14.406 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.795 13.068 6.084 1.00 0.00 H new ATOM 476 N LYS A 32 -3.601 11.148 2.511 1.00 0.00 N ATOM 477 CA LYS A 32 -4.047 10.699 1.203 1.00 0.00 C ATOM 478 C LYS A 32 -3.216 11.391 0.120 1.00 0.00 C ATOM 479 O LYS A 32 -3.272 11.010 -1.048 1.00 0.00 O ATOM 480 CB LYS A 32 -5.554 10.909 1.049 1.00 0.00 C ATOM 481 CG LYS A 32 -6.095 10.141 -0.159 1.00 0.00 C ATOM 482 CD LYS A 32 -7.451 10.696 -0.599 1.00 0.00 C ATOM 483 CE LYS A 32 -8.505 9.587 -0.655 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.513 9.883 -1.698 1.00 0.00 N ATOM 0 H LYS A 32 -4.053 11.998 2.847 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.885 9.627 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.065 10.578 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.767 11.972 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.386 10.207 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.194 9.085 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.772 11.473 0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.356 11.163 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.025 8.631 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.993 9.492 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.221 9.121 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.983 10.785 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.045 9.951 -2.624 1.00 0.00 H new ATOM 498 N GLY A 33 -2.465 12.395 0.547 1.00 0.00 N ATOM 499 CA GLY A 33 -1.624 13.144 -0.372 1.00 0.00 C ATOM 500 C GLY A 33 -0.318 12.397 -0.652 1.00 0.00 C ATOM 501 O GLY A 33 0.056 12.206 -1.808 1.00 0.00 O ATOM 0 H GLY A 33 -2.421 12.708 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.159 13.311 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.403 14.125 0.049 1.00 0.00 H new ATOM 505 N PRO A 34 0.357 11.985 0.455 1.00 0.00 N ATOM 506 CA PRO A 34 1.613 11.263 0.339 1.00 0.00 C ATOM 507 C PRO A 34 1.376 9.816 -0.098 1.00 0.00 C ATOM 508 O PRO A 34 2.114 9.286 -0.927 1.00 0.00 O ATOM 509 CB PRO A 34 2.256 11.371 1.712 1.00 0.00 C ATOM 510 CG PRO A 34 1.136 11.744 2.669 1.00 0.00 C ATOM 511 CD PRO A 34 -0.056 12.193 1.839 1.00 0.00 C ATOM 0 HA PRO A 34 2.268 11.678 -0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.719 10.428 2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.042 12.127 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.867 10.892 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.456 12.541 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.947 11.612 2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.298 13.239 2.027 1.00 0.00 H new ATOM 519 N TRP A 35 0.344 9.219 0.479 1.00 0.00 N ATOM 520 CA TRP A 35 0.001 7.844 0.160 1.00 0.00 C ATOM 521 C TRP A 35 -0.050 7.711 -1.364 1.00 0.00 C ATOM 522 O TRP A 35 0.379 6.700 -1.917 1.00 0.00 O ATOM 523 CB TRP A 35 -1.307 7.433 0.840 1.00 0.00 C ATOM 524 CG TRP A 35 -1.877 6.103 0.341 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.491 5.853 -0.823 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.859 4.843 1.045 1.00 0.00 C ATOM 527 NE1 TRP A 35 -2.870 4.530 -0.921 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.473 3.896 0.250 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.342 4.514 2.310 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.627 2.558 0.633 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.504 3.173 2.677 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.119 2.207 1.889 1.00 0.00 C ATOM 0 H TRP A 35 -0.266 9.662 1.166 1.00 0.00 H new ATOM 0 HA TRP A 35 0.757 7.159 0.544 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.140 7.364 1.915 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.048 8.216 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.667 6.594 -1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.353 4.097 -1.708 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.858 5.239 2.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.112 1.835 -0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.124 2.867 3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.204 1.191 2.244 1.00 0.00 H new ATOM 543 N ARG A 36 -0.580 8.746 -1.999 1.00 0.00 N ATOM 544 CA ARG A 36 -0.693 8.758 -3.447 1.00 0.00 C ATOM 545 C ARG A 36 0.664 9.067 -4.083 1.00 0.00 C ATOM 546 O ARG A 36 1.105 8.362 -4.989 1.00 0.00 O ATOM 547 CB ARG A 36 -1.715 9.797 -3.912 1.00 0.00 C ATOM 548 CG ARG A 36 -1.760 9.877 -5.439 1.00 0.00 C ATOM 549 CD ARG A 36 -3.154 10.279 -5.926 1.00 0.00 C ATOM 550 NE ARG A 36 -3.152 11.696 -6.353 1.00 0.00 N ATOM 551 CZ ARG A 36 -3.286 12.733 -5.516 1.00 0.00 C ATOM 552 NH1 ARG A 36 -3.435 12.519 -4.202 1.00 0.00 N ATOM 553 NH2 ARG A 36 -3.272 13.985 -5.994 1.00 0.00 N ATOM 0 H ARG A 36 -0.936 9.583 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.029 7.770 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.702 9.538 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.459 10.773 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.025 10.601 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.486 8.912 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.456 9.641 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.883 10.132 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.042 11.895 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.446 11.566 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.537 13.309 -3.565 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.159 14.148 -6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.374 14.775 -5.357 1.00 0.00 H new ATOM 567 N THR A 37 1.289 10.123 -3.582 1.00 0.00 N ATOM 568 CA THR A 37 2.587 10.534 -4.090 1.00 0.00 C ATOM 569 C THR A 37 3.583 9.376 -4.009 1.00 0.00 C ATOM 570 O THR A 37 4.279 9.082 -4.979 1.00 0.00 O ATOM 571 CB THR A 37 3.030 11.772 -3.307 1.00 0.00 C ATOM 572 OG1 THR A 37 2.283 12.837 -3.889 1.00 0.00 O ATOM 573 CG2 THR A 37 4.488 12.147 -3.580 1.00 0.00 C ATOM 0 H THR A 37 0.921 10.706 -2.830 1.00 0.00 H new ATOM 0 HA THR A 37 2.532 10.801 -5.145 1.00 0.00 H new ATOM 0 HB THR A 37 2.895 11.594 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.425 12.927 -3.424 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.751 13.032 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.136 11.319 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.617 12.358 -4.642 1.00 0.00 H new ATOM 581 N PHE A 38 3.620 8.749 -2.842 1.00 0.00 N ATOM 582 CA PHE A 38 4.519 7.630 -2.621 1.00 0.00 C ATOM 583 C PHE A 38 4.281 6.524 -3.652 1.00 0.00 C ATOM 584 O PHE A 38 5.230 5.924 -4.155 1.00 0.00 O ATOM 585 CB PHE A 38 4.217 7.082 -1.225 1.00 0.00 C ATOM 586 CG PHE A 38 4.771 7.941 -0.087 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.009 8.494 -0.192 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.025 8.152 1.031 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.523 9.291 0.864 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.539 8.949 2.087 1.00 0.00 C ATOM 591 CZ PHE A 38 5.777 9.502 1.982 1.00 0.00 C ATOM 0 H PHE A 38 3.041 8.995 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 38 5.554 7.960 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.137 6.993 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.631 6.077 -1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.601 8.327 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.042 7.713 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.506 9.730 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.947 9.116 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.168 10.108 2.786 1.00 0.00 H new ATOM 601 N CYS A 39 3.009 6.289 -3.937 1.00 0.00 N ATOM 602 CA CYS A 39 2.634 5.266 -4.899 1.00 0.00 C ATOM 603 C CYS A 39 2.592 5.906 -6.288 1.00 0.00 C ATOM 604 O CYS A 39 2.140 5.284 -7.248 1.00 0.00 O ATOM 605 CB CYS A 39 1.302 4.607 -4.534 1.00 0.00 C ATOM 606 SG CYS A 39 1.152 2.991 -5.379 1.00 0.00 S ATOM 0 H CYS A 39 2.225 6.789 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 39 3.374 4.466 -4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.238 4.470 -3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.475 5.256 -4.822 1.00 0.00 H new ATOM 0 HG CYS A 39 1.453 3.129 -6.636 1.00 0.00 H new ATOM 612 N ALA A 40 3.068 7.140 -6.351 1.00 0.00 N ATOM 613 CA ALA A 40 3.091 7.871 -7.607 1.00 0.00 C ATOM 614 C ALA A 40 4.415 7.603 -8.324 1.00 0.00 C ATOM 615 O ALA A 40 4.433 6.998 -9.395 1.00 0.00 O ATOM 616 CB ALA A 40 2.866 9.360 -7.335 1.00 0.00 C ATOM 0 H ALA A 40 3.441 7.653 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 40 2.288 7.534 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.883 9.909 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.899 9.499 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.655 9.734 -6.683 1.00 0.00 H new ATOM 622 N SER A 41 5.491 8.066 -7.705 1.00 0.00 N ATOM 623 CA SER A 41 6.817 7.883 -8.272 1.00 0.00 C ATOM 624 C SER A 41 7.861 7.833 -7.154 1.00 0.00 C ATOM 625 O SER A 41 8.948 8.393 -7.290 1.00 0.00 O ATOM 626 CB SER A 41 7.152 9.001 -9.262 1.00 0.00 C ATOM 627 OG SER A 41 7.557 8.488 -10.528 1.00 0.00 O ATOM 0 H SER A 41 5.472 8.567 -6.817 1.00 0.00 H new ATOM 0 HA SER A 41 6.830 6.938 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.281 9.643 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.947 9.623 -8.851 1.00 0.00 H new ATOM 0 HG SER A 41 7.760 9.232 -11.133 1.00 0.00 H new ATOM 633 N GLU A 42 7.495 7.157 -6.075 1.00 0.00 N ATOM 634 CA GLU A 42 8.386 7.027 -4.936 1.00 0.00 C ATOM 635 C GLU A 42 8.732 5.556 -4.698 1.00 0.00 C ATOM 636 O GLU A 42 9.903 5.205 -4.552 1.00 0.00 O ATOM 637 CB GLU A 42 7.770 7.654 -3.683 1.00 0.00 C ATOM 638 CG GLU A 42 8.857 8.101 -2.703 1.00 0.00 C ATOM 639 CD GLU A 42 9.290 9.542 -2.985 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.409 10.425 -2.906 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.492 9.726 -3.272 1.00 0.00 O ATOM 0 H GLU A 42 6.593 6.693 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 42 9.307 7.566 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.155 8.509 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.111 6.934 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.485 8.022 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.718 7.437 -2.781 1.00 0.00 H new ATOM 648 N TRP A 43 7.694 4.734 -4.666 1.00 0.00 N ATOM 649 CA TRP A 43 7.873 3.308 -4.449 1.00 0.00 C ATOM 650 C TRP A 43 8.404 2.695 -5.746 1.00 0.00 C ATOM 651 O TRP A 43 9.328 1.884 -5.722 1.00 0.00 O ATOM 652 CB TRP A 43 6.574 2.659 -3.968 1.00 0.00 C ATOM 653 CG TRP A 43 6.240 2.946 -2.503 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.054 3.415 -1.548 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.960 2.762 -1.861 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.395 3.547 -0.342 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.082 3.137 -0.539 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.740 2.294 -2.381 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.022 3.083 0.374 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.691 2.246 -1.456 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.797 2.620 -0.121 1.00 0.00 C ATOM 0 H TRP A 43 6.725 5.028 -4.787 1.00 0.00 H new ATOM 0 HA TRP A 43 8.599 3.127 -3.656 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.752 3.009 -4.593 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.645 1.581 -4.109 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.095 3.659 -1.702 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.798 3.884 0.533 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.622 1.995 -3.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.143 3.382 1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.731 1.894 -1.804 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.939 2.554 0.531 1.00 0.00 H new ATOM 672 N PRO A 44 7.780 3.118 -6.879 1.00 0.00 N ATOM 673 CA PRO A 44 8.179 2.619 -8.184 1.00 0.00 C ATOM 674 C PRO A 44 9.498 3.253 -8.633 1.00 0.00 C ATOM 675 O PRO A 44 9.984 2.973 -9.728 1.00 0.00 O ATOM 676 CB PRO A 44 7.017 2.951 -9.105 1.00 0.00 C ATOM 677 CG PRO A 44 6.215 4.029 -8.392 1.00 0.00 C ATOM 678 CD PRO A 44 6.681 4.077 -6.946 1.00 0.00 C ATOM 0 HA PRO A 44 8.374 1.547 -8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.374 3.305 -10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.405 2.069 -9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.363 4.996 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.149 3.808 -8.442 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.012 5.078 -6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.877 3.806 -6.262 1.00 0.00 H new ATOM 686 N THR A 45 10.039 4.094 -7.764 1.00 0.00 N ATOM 687 CA THR A 45 11.291 4.770 -8.057 1.00 0.00 C ATOM 688 C THR A 45 12.399 4.264 -7.131 1.00 0.00 C ATOM 689 O THR A 45 13.414 4.935 -6.949 1.00 0.00 O ATOM 690 CB THR A 45 11.051 6.277 -7.952 1.00 0.00 C ATOM 691 OG1 THR A 45 10.157 6.410 -6.850 1.00 0.00 O ATOM 692 CG2 THR A 45 10.263 6.829 -9.141 1.00 0.00 C ATOM 0 H THR A 45 9.633 4.323 -6.857 1.00 0.00 H new ATOM 0 HA THR A 45 11.632 4.551 -9.069 1.00 0.00 H new ATOM 0 HB THR A 45 12.009 6.793 -7.881 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.517 5.927 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.121 7.902 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.815 6.641 -10.062 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.291 6.338 -9.193 1.00 0.00 H new ATOM 700 N PHE A 46 12.167 3.086 -6.572 1.00 0.00 N ATOM 701 CA PHE A 46 13.133 2.483 -5.669 1.00 0.00 C ATOM 702 C PHE A 46 13.944 1.398 -6.380 1.00 0.00 C ATOM 703 O PHE A 46 15.008 1.001 -5.905 1.00 0.00 O ATOM 704 CB PHE A 46 12.340 1.845 -4.527 1.00 0.00 C ATOM 705 CG PHE A 46 11.866 2.841 -3.467 1.00 0.00 C ATOM 706 CD1 PHE A 46 12.044 4.175 -3.659 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.265 2.392 -2.332 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.604 5.099 -2.675 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.824 3.316 -1.348 1.00 0.00 C ATOM 710 CZ PHE A 46 11.003 4.650 -1.541 1.00 0.00 C ATOM 0 H PHE A 46 11.324 2.533 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 46 13.828 3.241 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.473 1.332 -4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.959 1.087 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.520 4.532 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.123 1.332 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.747 6.159 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.347 2.959 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.668 5.353 -0.793 1.00 0.00 H new ATOM 720 N ASP A 47 13.411 0.947 -7.506 1.00 0.00 N ATOM 721 CA ASP A 47 14.072 -0.085 -8.287 1.00 0.00 C ATOM 722 C ASP A 47 13.903 -1.435 -7.587 1.00 0.00 C ATOM 723 O ASP A 47 14.739 -1.825 -6.774 1.00 0.00 O ATOM 724 CB ASP A 47 15.571 0.197 -8.415 1.00 0.00 C ATOM 725 CG ASP A 47 16.106 0.210 -9.848 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.270 0.066 -10.767 1.00 0.00 O ATOM 727 OD2 ASP A 47 17.338 0.364 -9.993 1.00 0.00 O ATOM 0 H ASP A 47 12.529 1.277 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 47 13.621 -0.098 -9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.785 1.162 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.117 -0.556 -7.846 1.00 0.00 H new ATOM 732 N VAL A 48 12.815 -2.110 -7.929 1.00 0.00 N ATOM 733 CA VAL A 48 12.526 -3.408 -7.344 1.00 0.00 C ATOM 734 C VAL A 48 11.523 -4.150 -8.230 1.00 0.00 C ATOM 735 O VAL A 48 11.688 -5.339 -8.498 1.00 0.00 O ATOM 736 CB VAL A 48 12.038 -3.236 -5.904 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.194 -2.864 -4.974 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.916 -2.198 -5.826 1.00 0.00 C ATOM 0 H VAL A 48 12.124 -1.782 -8.603 1.00 0.00 H new ATOM 0 HA VAL A 48 13.430 -4.015 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 48 11.634 -4.192 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.820 -2.748 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.947 -3.652 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.641 -1.927 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.587 -2.095 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.283 -1.238 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.078 -2.521 -6.443 1.00 0.00 H new ATOM 748 N GLY A 49 10.507 -3.417 -8.661 1.00 0.00 N ATOM 749 CA GLY A 49 9.478 -3.991 -9.511 1.00 0.00 C ATOM 750 C GLY A 49 8.083 -3.567 -9.046 1.00 0.00 C ATOM 751 O GLY A 49 7.156 -4.376 -9.036 1.00 0.00 O ATOM 0 H GLY A 49 10.374 -2.431 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.634 -3.673 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.555 -5.078 -9.498 1.00 0.00 H new ATOM 755 N TRP A 50 7.978 -2.300 -8.673 1.00 0.00 N ATOM 756 CA TRP A 50 6.712 -1.760 -8.209 1.00 0.00 C ATOM 757 C TRP A 50 6.126 -0.899 -9.329 1.00 0.00 C ATOM 758 O TRP A 50 6.791 0.003 -9.837 1.00 0.00 O ATOM 759 CB TRP A 50 6.892 -0.993 -6.897 1.00 0.00 C ATOM 760 CG TRP A 50 5.624 -0.288 -6.409 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.102 0.866 -6.845 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.734 -0.744 -5.368 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.946 1.188 -6.164 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.715 0.177 -5.237 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.789 -1.895 -4.564 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.674 0.042 -4.311 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.741 -2.016 -3.643 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.708 -1.098 -3.499 1.00 0.00 C ATOM 0 H TRP A 50 8.749 -1.632 -8.683 1.00 0.00 H new ATOM 0 HA TRP A 50 6.010 -2.562 -7.984 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.230 -1.686 -6.126 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.681 -0.252 -7.027 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.532 1.469 -7.631 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.368 2.015 -6.313 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.577 -2.628 -4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.887 0.777 -4.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.735 -2.883 -3.000 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.934 -1.263 -2.764 1.00 0.00 H new ATOM 779 N PRO A 51 4.854 -1.215 -9.692 1.00 0.00 N ATOM 780 CA PRO A 51 4.171 -0.481 -10.743 1.00 0.00 C ATOM 781 C PRO A 51 3.724 0.896 -10.249 1.00 0.00 C ATOM 782 O PRO A 51 3.675 1.142 -9.044 1.00 0.00 O ATOM 783 CB PRO A 51 3.009 -1.371 -11.154 1.00 0.00 C ATOM 784 CG PRO A 51 2.809 -2.350 -10.008 1.00 0.00 C ATOM 785 CD PRO A 51 4.036 -2.277 -9.113 1.00 0.00 C ATOM 0 HA PRO A 51 4.816 -0.271 -11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.108 -0.782 -11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.229 -1.897 -12.083 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.910 -2.100 -9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.675 -3.362 -10.390 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.762 -2.049 -8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.572 -3.226 -9.098 1.00 0.00 H new ATOM 793 N PRO A 52 3.400 1.782 -11.229 1.00 0.00 N ATOM 794 CA PRO A 52 2.958 3.128 -10.905 1.00 0.00 C ATOM 795 C PRO A 52 1.519 3.122 -10.386 1.00 0.00 C ATOM 796 O PRO A 52 1.170 3.907 -9.505 1.00 0.00 O ATOM 797 CB PRO A 52 3.122 3.916 -12.195 1.00 0.00 C ATOM 798 CG PRO A 52 3.206 2.883 -13.307 1.00 0.00 C ATOM 799 CD PRO A 52 3.445 1.526 -12.665 1.00 0.00 C ATOM 0 HA PRO A 52 3.539 3.580 -10.101 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.279 4.590 -12.351 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.021 4.531 -12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.285 2.873 -13.889 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.015 3.128 -13.995 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.682 0.807 -12.963 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.408 1.111 -12.963 1.00 0.00 H new ATOM 807 N GLU A 53 0.722 2.230 -10.954 1.00 0.00 N ATOM 808 CA GLU A 53 -0.672 2.112 -10.560 1.00 0.00 C ATOM 809 C GLU A 53 -0.783 1.396 -9.212 1.00 0.00 C ATOM 810 O GLU A 53 -1.824 1.455 -8.558 1.00 0.00 O ATOM 811 CB GLU A 53 -1.486 1.389 -11.634 1.00 0.00 C ATOM 812 CG GLU A 53 -1.397 2.120 -12.975 1.00 0.00 C ATOM 813 CD GLU A 53 -0.164 1.671 -13.763 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.349 0.578 -13.440 1.00 0.00 O ATOM 815 OE2 GLU A 53 0.238 2.432 -14.670 1.00 0.00 O ATOM 0 H GLU A 53 1.015 1.581 -11.685 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.085 3.115 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.120 0.369 -11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.528 1.321 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.297 1.927 -13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.352 3.196 -12.805 1.00 0.00 H new ATOM 822 N GLY A 54 0.303 0.737 -8.837 1.00 0.00 N ATOM 823 CA GLY A 54 0.340 0.011 -7.579 1.00 0.00 C ATOM 824 C GLY A 54 0.098 -1.484 -7.801 1.00 0.00 C ATOM 825 O GLY A 54 -0.194 -1.910 -8.917 1.00 0.00 O ATOM 0 H GLY A 54 1.164 0.690 -9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.307 0.159 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.417 0.409 -6.903 1.00 0.00 H new ATOM 829 N THR A 55 0.229 -2.239 -6.720 1.00 0.00 N ATOM 830 CA THR A 55 0.029 -3.677 -6.783 1.00 0.00 C ATOM 831 C THR A 55 -0.234 -4.240 -5.385 1.00 0.00 C ATOM 832 O THR A 55 0.203 -3.666 -4.389 1.00 0.00 O ATOM 833 CB THR A 55 1.249 -4.295 -7.468 1.00 0.00 C ATOM 834 OG1 THR A 55 0.842 -5.627 -7.768 1.00 0.00 O ATOM 835 CG2 THR A 55 2.430 -4.473 -6.511 1.00 0.00 C ATOM 0 H THR A 55 0.471 -1.882 -5.796 1.00 0.00 H new ATOM 0 HA THR A 55 -0.853 -3.928 -7.372 1.00 0.00 H new ATOM 0 HB THR A 55 1.552 -3.667 -8.306 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.574 -6.100 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.270 -4.915 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.725 -3.502 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.138 -5.129 -5.691 1.00 0.00 H new ATOM 843 N PHE A 56 -0.947 -5.357 -5.357 1.00 0.00 N ATOM 844 CA PHE A 56 -1.273 -6.004 -4.097 1.00 0.00 C ATOM 845 C PHE A 56 -0.513 -7.323 -3.946 1.00 0.00 C ATOM 846 O PHE A 56 -1.072 -8.317 -3.485 1.00 0.00 O ATOM 847 CB PHE A 56 -2.775 -6.294 -4.120 1.00 0.00 C ATOM 848 CG PHE A 56 -3.649 -5.077 -3.811 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.571 -4.476 -2.593 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.503 -4.596 -4.753 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.382 -3.346 -2.306 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.314 -3.467 -4.466 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.237 -2.865 -3.249 1.00 0.00 C ATOM 0 H PHE A 56 -1.308 -5.830 -6.186 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.996 -5.359 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.045 -6.682 -5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.994 -7.079 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.893 -4.858 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.564 -5.073 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.320 -2.868 -1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.993 -3.086 -5.215 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.854 -2.006 -3.031 1.00 0.00 H new ATOM 863 N ASP A 57 0.751 -7.290 -4.342 1.00 0.00 N ATOM 864 CA ASP A 57 1.594 -8.470 -4.256 1.00 0.00 C ATOM 865 C ASP A 57 2.555 -8.321 -3.076 1.00 0.00 C ATOM 866 O ASP A 57 3.468 -7.496 -3.114 1.00 0.00 O ATOM 867 CB ASP A 57 2.428 -8.645 -5.527 1.00 0.00 C ATOM 868 CG ASP A 57 3.214 -9.955 -5.610 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.166 -10.710 -4.614 1.00 0.00 O ATOM 870 OD2 ASP A 57 3.844 -10.173 -6.667 1.00 0.00 O ATOM 0 H ASP A 57 1.212 -6.464 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 57 0.947 -9.338 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.765 -8.581 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.129 -7.813 -5.601 1.00 0.00 H new ATOM 875 N LEU A 58 2.318 -9.130 -2.054 1.00 0.00 N ATOM 876 CA LEU A 58 3.152 -9.098 -0.865 1.00 0.00 C ATOM 877 C LEU A 58 4.624 -9.058 -1.280 1.00 0.00 C ATOM 878 O LEU A 58 5.413 -8.305 -0.711 1.00 0.00 O ATOM 879 CB LEU A 58 2.806 -10.264 0.064 1.00 0.00 C ATOM 880 CG LEU A 58 2.800 -9.949 1.561 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.455 -9.360 1.992 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.173 -11.185 2.382 1.00 0.00 C ATOM 0 H LEU A 58 1.560 -9.812 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 58 2.959 -8.193 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.822 -10.642 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.519 -11.069 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 58 3.560 -9.192 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.477 -9.145 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.268 -8.439 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.660 -10.076 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.161 -10.934 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.453 -11.981 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.170 -11.522 2.100 1.00 0.00 H new ATOM 894 N THR A 59 4.949 -9.879 -2.268 1.00 0.00 N ATOM 895 CA THR A 59 6.313 -9.947 -2.766 1.00 0.00 C ATOM 896 C THR A 59 6.796 -8.558 -3.189 1.00 0.00 C ATOM 897 O THR A 59 7.875 -8.124 -2.790 1.00 0.00 O ATOM 898 CB THR A 59 6.352 -10.975 -3.898 1.00 0.00 C ATOM 899 OG1 THR A 59 6.164 -12.225 -3.238 1.00 0.00 O ATOM 900 CG2 THR A 59 7.738 -11.094 -4.533 1.00 0.00 C ATOM 0 H THR A 59 4.292 -10.502 -2.737 1.00 0.00 H new ATOM 0 HA THR A 59 7.003 -10.273 -1.988 1.00 0.00 H new ATOM 0 HB THR A 59 5.625 -10.701 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.174 -12.949 -3.899 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.710 -11.837 -5.330 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.033 -10.129 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.460 -11.401 -3.776 1.00 0.00 H new ATOM 908 N VAL A 60 5.973 -7.901 -3.993 1.00 0.00 N ATOM 909 CA VAL A 60 6.303 -6.570 -4.476 1.00 0.00 C ATOM 910 C VAL A 60 6.270 -5.585 -3.305 1.00 0.00 C ATOM 911 O VAL A 60 7.025 -4.615 -3.284 1.00 0.00 O ATOM 912 CB VAL A 60 5.360 -6.178 -5.615 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.720 -4.800 -6.174 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.364 -7.236 -6.719 1.00 0.00 C ATOM 0 H VAL A 60 5.079 -8.265 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 60 7.312 -6.552 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 60 4.350 -6.122 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.035 -4.545 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.641 -4.054 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.741 -4.818 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.685 -6.933 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.372 -7.339 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.037 -8.191 -6.309 1.00 0.00 H new ATOM 924 N ILE A 61 5.386 -5.869 -2.360 1.00 0.00 N ATOM 925 CA ILE A 61 5.244 -5.020 -1.189 1.00 0.00 C ATOM 926 C ILE A 61 6.494 -5.149 -0.316 1.00 0.00 C ATOM 927 O ILE A 61 7.110 -4.148 0.044 1.00 0.00 O ATOM 928 CB ILE A 61 3.943 -5.339 -0.451 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.728 -4.863 -1.250 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.960 -4.761 0.966 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.426 -5.343 -0.606 1.00 0.00 C ATOM 0 H ILE A 61 4.761 -6.675 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 61 5.168 -3.974 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 61 3.861 -6.422 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.730 -3.775 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.791 -5.236 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.023 -5.002 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.792 -5.190 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.077 -3.678 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.578 -4.991 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.417 -6.432 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.354 -4.948 0.407 1.00 0.00 H new ATOM 943 N PHE A 62 6.831 -6.392 -0.001 1.00 0.00 N ATOM 944 CA PHE A 62 7.996 -6.665 0.822 1.00 0.00 C ATOM 945 C PHE A 62 9.247 -6.002 0.240 1.00 0.00 C ATOM 946 O PHE A 62 10.176 -5.671 0.974 1.00 0.00 O ATOM 947 CB PHE A 62 8.194 -8.182 0.829 1.00 0.00 C ATOM 948 CG PHE A 62 7.677 -8.871 2.093 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.427 -8.598 2.555 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.468 -9.757 2.757 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.948 -9.238 3.728 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.988 -10.397 3.930 1.00 0.00 C ATOM 953 CZ PHE A 62 6.738 -10.123 4.391 1.00 0.00 C ATOM 0 H PHE A 62 6.317 -7.220 -0.301 1.00 0.00 H new ATOM 0 HA PHE A 62 7.842 -6.270 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.688 -8.608 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.256 -8.400 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.799 -7.894 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.461 -9.973 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.955 -9.021 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.615 -11.101 4.456 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.373 -10.609 5.284 1.00 0.00 H new ATOM 963 N GLU A 63 9.229 -5.830 -1.073 1.00 0.00 N ATOM 964 CA GLU A 63 10.350 -5.213 -1.762 1.00 0.00 C ATOM 965 C GLU A 63 10.515 -3.760 -1.311 1.00 0.00 C ATOM 966 O GLU A 63 11.601 -3.354 -0.900 1.00 0.00 O ATOM 967 CB GLU A 63 10.176 -5.300 -3.280 1.00 0.00 C ATOM 968 CG GLU A 63 10.456 -6.717 -3.783 1.00 0.00 C ATOM 969 CD GLU A 63 11.955 -7.022 -3.758 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.626 -6.653 -4.746 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.397 -7.616 -2.751 1.00 0.00 O ATOM 0 H GLU A 63 8.456 -6.107 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 63 11.257 -5.759 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.161 -5.008 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.851 -4.597 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.924 -7.439 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.076 -6.828 -4.798 1.00 0.00 H new ATOM 978 N VAL A 64 9.422 -3.017 -1.404 1.00 0.00 N ATOM 979 CA VAL A 64 9.432 -1.618 -1.011 1.00 0.00 C ATOM 980 C VAL A 64 9.650 -1.519 0.500 1.00 0.00 C ATOM 981 O VAL A 64 10.364 -0.635 0.971 1.00 0.00 O ATOM 982 CB VAL A 64 8.145 -0.935 -1.476 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.890 0.350 -0.685 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.185 -0.654 -2.980 1.00 0.00 C ATOM 0 H VAL A 64 8.523 -3.357 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 64 10.256 -1.091 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 64 7.316 -1.617 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.969 0.816 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.796 0.112 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.723 1.038 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.258 -0.168 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.028 -0.001 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.298 -1.593 -3.523 1.00 0.00 H new ATOM 994 N LYS A 65 9.022 -2.438 1.218 1.00 0.00 N ATOM 995 CA LYS A 65 9.138 -2.465 2.666 1.00 0.00 C ATOM 996 C LYS A 65 10.611 -2.603 3.052 1.00 0.00 C ATOM 997 O LYS A 65 11.058 -2.010 4.033 1.00 0.00 O ATOM 998 CB LYS A 65 8.242 -3.557 3.255 1.00 0.00 C ATOM 999 CG LYS A 65 8.125 -3.410 4.773 1.00 0.00 C ATOM 1000 CD LYS A 65 7.034 -4.327 5.330 1.00 0.00 C ATOM 1001 CE LYS A 65 6.102 -3.562 6.271 1.00 0.00 C ATOM 1002 NZ LYS A 65 4.790 -4.240 6.366 1.00 0.00 N ATOM 0 H LYS A 65 8.431 -3.170 0.824 1.00 0.00 H new ATOM 0 HA LYS A 65 8.782 -1.528 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.251 -3.503 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.650 -4.538 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.080 -3.650 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.898 -2.374 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.458 -4.753 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.492 -5.160 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.553 -3.491 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.966 -2.543 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.272 -3.880 7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.239 -4.052 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.935 -5.265 6.467 1.00 0.00 H new ATOM 1016 N ALA A 66 11.326 -3.390 2.261 1.00 0.00 N ATOM 1017 CA ALA A 66 12.741 -3.613 2.509 1.00 0.00 C ATOM 1018 C ALA A 66 13.477 -2.273 2.479 1.00 0.00 C ATOM 1019 O ALA A 66 14.185 -1.928 3.424 1.00 0.00 O ATOM 1020 CB ALA A 66 13.289 -4.603 1.479 1.00 0.00 C ATOM 0 H ALA A 66 10.952 -3.881 1.449 1.00 0.00 H new ATOM 0 HA ALA A 66 12.894 -4.050 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.350 -4.771 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.752 -5.548 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.156 -4.196 0.477 1.00 0.00 H new ATOM 1026 N ILE A 67 13.286 -1.553 1.383 1.00 0.00 N ATOM 1027 CA ILE A 67 13.924 -0.258 1.217 1.00 0.00 C ATOM 1028 C ILE A 67 13.363 0.718 2.253 1.00 0.00 C ATOM 1029 O ILE A 67 14.111 1.485 2.857 1.00 0.00 O ATOM 1030 CB ILE A 67 13.782 0.229 -0.226 1.00 0.00 C ATOM 1031 CG1 ILE A 67 14.477 -0.727 -1.198 1.00 0.00 C ATOM 1032 CG2 ILE A 67 14.288 1.665 -0.373 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.456 -1.465 -2.066 1.00 0.00 C ATOM 0 H ILE A 67 12.698 -1.842 0.601 1.00 0.00 H new ATOM 0 HA ILE A 67 14.996 -0.336 1.398 1.00 0.00 H new ATOM 0 HB ILE A 67 12.723 0.234 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.164 -0.169 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.074 -1.448 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.176 1.986 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.710 2.323 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.340 1.711 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.977 -2.138 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.786 -2.042 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.877 -0.742 -2.641 1.00 0.00 H new ATOM 1045 N VAL A 68 12.051 0.657 2.427 1.00 0.00 N ATOM 1046 CA VAL A 68 11.381 1.526 3.380 1.00 0.00 C ATOM 1047 C VAL A 68 11.955 1.282 4.777 1.00 0.00 C ATOM 1048 O VAL A 68 12.346 2.224 5.464 1.00 0.00 O ATOM 1049 CB VAL A 68 9.868 1.312 3.309 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.179 1.848 4.565 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.282 1.950 2.048 1.00 0.00 C ATOM 0 H VAL A 68 11.434 0.019 1.924 1.00 0.00 H new ATOM 0 HA VAL A 68 11.559 2.573 3.134 1.00 0.00 H new ATOM 0 HB VAL A 68 9.684 0.239 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.104 1.683 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.565 1.328 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.377 2.916 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.205 1.783 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.483 3.021 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.740 1.501 1.167 1.00 0.00 H new ATOM 1061 N PHE A 69 11.986 0.013 5.155 1.00 0.00 N ATOM 1062 CA PHE A 69 12.505 -0.367 6.458 1.00 0.00 C ATOM 1063 C PHE A 69 14.000 -0.682 6.382 1.00 0.00 C ATOM 1064 O PHE A 69 14.464 -1.656 6.973 1.00 0.00 O ATOM 1065 CB PHE A 69 11.752 -1.627 6.890 1.00 0.00 C ATOM 1066 CG PHE A 69 10.300 -1.374 7.300 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.384 -1.006 6.365 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.925 -1.518 8.600 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.036 -0.771 6.746 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.578 -1.283 8.980 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.661 -0.915 8.045 1.00 0.00 C ATOM 0 H PHE A 69 11.660 -0.765 4.582 1.00 0.00 H new ATOM 0 HA PHE A 69 12.369 0.451 7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.768 -2.346 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.280 -2.085 7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.681 -0.892 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.652 -1.811 9.343 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.309 -0.478 6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.281 -1.396 10.012 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.636 -0.737 8.334 1.00 0.00 H new ATOM 1081 N GLN A 70 14.714 0.161 5.650 1.00 0.00 N ATOM 1082 CA GLN A 70 16.147 -0.015 5.489 1.00 0.00 C ATOM 1083 C GLN A 70 16.903 0.791 6.547 1.00 0.00 C ATOM 1084 O GLN A 70 16.295 1.351 7.458 1.00 0.00 O ATOM 1085 CB GLN A 70 16.593 0.377 4.079 1.00 0.00 C ATOM 1086 CG GLN A 70 16.714 1.897 3.945 1.00 0.00 C ATOM 1087 CD GLN A 70 17.303 2.282 2.586 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.491 2.162 2.339 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.407 2.751 1.722 1.00 0.00 N ATOM 0 H GLN A 70 14.326 0.968 5.162 1.00 0.00 H new ATOM 0 HA GLN A 70 16.381 -1.070 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.552 -0.089 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.877 -0.000 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.732 2.355 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.346 2.287 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.427 2.825 1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.700 3.036 0.788 1.00 0.00 H new ATOM 1098 N ASP A 71 18.218 0.824 6.392 1.00 0.00 N ATOM 1099 CA ASP A 71 19.064 1.552 7.323 1.00 0.00 C ATOM 1100 C ASP A 71 19.556 2.840 6.658 1.00 0.00 C ATOM 1101 O ASP A 71 19.653 2.913 5.434 1.00 0.00 O ATOM 1102 CB ASP A 71 20.289 0.725 7.716 1.00 0.00 C ATOM 1103 CG ASP A 71 21.215 1.387 8.739 1.00 0.00 C ATOM 1104 OD1 ASP A 71 20.933 1.227 9.947 1.00 0.00 O ATOM 1105 OD2 ASP A 71 22.183 2.038 8.291 1.00 0.00 O ATOM 0 H ASP A 71 18.719 0.358 5.635 1.00 0.00 H new ATOM 0 HA ASP A 71 18.475 1.770 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.950 -0.229 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.864 0.505 6.817 1.00 0.00 H new ATOM 1110 N GLY A 72 19.853 3.823 7.494 1.00 0.00 N ATOM 1111 CA GLY A 72 20.332 5.104 7.003 1.00 0.00 C ATOM 1112 C GLY A 72 19.196 6.127 6.940 1.00 0.00 C ATOM 1113 O GLY A 72 18.063 5.826 7.313 1.00 0.00 O ATOM 0 H GLY A 72 19.771 3.759 8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 72 21.124 5.474 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.768 4.978 6.012 1.00 0.00 H new ATOM 1117 N PRO A 73 19.548 7.347 6.453 1.00 0.00 N ATOM 1118 CA PRO A 73 18.571 8.416 6.336 1.00 0.00 C ATOM 1119 C PRO A 73 17.633 8.175 5.151 1.00 0.00 C ATOM 1120 O PRO A 73 16.690 8.935 4.937 1.00 0.00 O ATOM 1121 CB PRO A 73 19.393 9.687 6.193 1.00 0.00 C ATOM 1122 CG PRO A 73 20.782 9.238 5.769 1.00 0.00 C ATOM 1123 CD PRO A 73 20.880 7.739 6.002 1.00 0.00 C ATOM 0 HA PRO A 73 17.912 8.479 7.202 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.955 10.354 5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.430 10.236 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.955 9.473 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.545 9.764 6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.160 7.214 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.637 7.503 6.750 1.00 0.00 H new ATOM 1131 N GLY A 74 17.925 7.114 4.413 1.00 0.00 N ATOM 1132 CA GLY A 74 17.119 6.763 3.256 1.00 0.00 C ATOM 1133 C GLY A 74 15.814 6.087 3.681 1.00 0.00 C ATOM 1134 O GLY A 74 14.809 6.173 2.977 1.00 0.00 O ATOM 0 H GLY A 74 18.708 6.486 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.897 7.660 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.683 6.096 2.604 1.00 0.00 H new ATOM 1138 N SER A 75 15.872 5.430 4.830 1.00 0.00 N ATOM 1139 CA SER A 75 14.707 4.740 5.357 1.00 0.00 C ATOM 1140 C SER A 75 13.469 5.630 5.228 1.00 0.00 C ATOM 1141 O SER A 75 13.577 6.855 5.238 1.00 0.00 O ATOM 1142 CB SER A 75 14.920 4.336 6.817 1.00 0.00 C ATOM 1143 OG SER A 75 15.332 5.439 7.621 1.00 0.00 O ATOM 0 H SER A 75 16.708 5.361 5.411 1.00 0.00 H new ATOM 0 HA SER A 75 14.556 3.831 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.995 3.921 7.217 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.672 3.548 6.869 1.00 0.00 H new ATOM 0 HG SER A 75 16.299 5.568 7.528 1.00 0.00 H new ATOM 1149 N HIS A 76 12.321 4.978 5.109 1.00 0.00 N ATOM 1150 CA HIS A 76 11.064 5.695 4.977 1.00 0.00 C ATOM 1151 C HIS A 76 10.177 5.401 6.189 1.00 0.00 C ATOM 1152 O HIS A 76 9.370 4.473 6.161 1.00 0.00 O ATOM 1153 CB HIS A 76 10.384 5.359 3.649 1.00 0.00 C ATOM 1154 CG HIS A 76 11.294 5.466 2.448 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.011 6.611 2.151 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.596 4.559 1.475 1.00 0.00 C ATOM 1157 CE1 HIS A 76 12.709 6.393 1.047 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.450 5.121 0.629 1.00 0.00 N ATOM 0 H HIS A 76 12.235 3.962 5.101 1.00 0.00 H new ATOM 0 HA HIS A 76 11.253 6.768 4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.987 4.345 3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.534 6.027 3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.206 3.554 1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.368 7.099 0.563 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.847 4.675 -0.198 1.00 0.00 H new ATOM 1166 N PRO A 77 10.361 6.231 7.250 1.00 0.00 N ATOM 1167 CA PRO A 77 9.587 6.069 8.469 1.00 0.00 C ATOM 1168 C PRO A 77 8.154 6.573 8.280 1.00 0.00 C ATOM 1169 O PRO A 77 7.255 6.191 9.027 1.00 0.00 O ATOM 1170 CB PRO A 77 10.354 6.844 9.528 1.00 0.00 C ATOM 1171 CG PRO A 77 11.270 7.790 8.770 1.00 0.00 C ATOM 1172 CD PRO A 77 11.307 7.340 7.318 1.00 0.00 C ATOM 0 HA PRO A 77 9.476 5.025 8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.674 7.395 10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.928 6.171 10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.905 8.815 8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.272 7.777 9.199 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.019 8.148 6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.309 7.024 7.027 1.00 0.00 H new ATOM 1180 N ASP A 78 7.987 7.422 7.277 1.00 0.00 N ATOM 1181 CA ASP A 78 6.680 7.982 6.980 1.00 0.00 C ATOM 1182 C ASP A 78 5.884 6.986 6.134 1.00 0.00 C ATOM 1183 O ASP A 78 4.663 6.899 6.255 1.00 0.00 O ATOM 1184 CB ASP A 78 6.805 9.283 6.185 1.00 0.00 C ATOM 1185 CG ASP A 78 5.565 10.178 6.211 1.00 0.00 C ATOM 1186 OD1 ASP A 78 4.512 9.677 6.661 1.00 0.00 O ATOM 1187 OD2 ASP A 78 5.698 11.344 5.780 1.00 0.00 O ATOM 0 H ASP A 78 8.736 7.736 6.659 1.00 0.00 H new ATOM 0 HA ASP A 78 6.177 8.185 7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.651 9.849 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.035 9.037 5.148 1.00 0.00 H new ATOM 1192 N GLN A 79 6.608 6.259 5.295 1.00 0.00 N ATOM 1193 CA GLN A 79 5.985 5.272 4.429 1.00 0.00 C ATOM 1194 C GLN A 79 5.886 3.924 5.146 1.00 0.00 C ATOM 1195 O GLN A 79 5.124 3.052 4.732 1.00 0.00 O ATOM 1196 CB GLN A 79 6.750 5.138 3.111 1.00 0.00 C ATOM 1197 CG GLN A 79 6.592 6.396 2.255 1.00 0.00 C ATOM 1198 CD GLN A 79 7.902 7.184 2.190 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.130 8.123 2.934 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.749 6.749 1.261 1.00 0.00 N ATOM 0 H GLN A 79 7.620 6.334 5.197 1.00 0.00 H new ATOM 0 HA GLN A 79 4.976 5.610 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.806 4.963 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.384 4.271 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.280 6.118 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.805 7.026 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.496 5.957 0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.652 7.208 1.139 1.00 0.00 H new ATOM 1209 N GLN A 80 6.668 3.796 6.208 1.00 0.00 N ATOM 1210 CA GLN A 80 6.678 2.568 6.985 1.00 0.00 C ATOM 1211 C GLN A 80 5.248 2.146 7.329 1.00 0.00 C ATOM 1212 O GLN A 80 4.875 0.990 7.136 1.00 0.00 O ATOM 1213 CB GLN A 80 7.521 2.728 8.252 1.00 0.00 C ATOM 1214 CG GLN A 80 8.927 2.160 8.049 1.00 0.00 C ATOM 1215 CD GLN A 80 9.893 2.694 9.109 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.530 2.943 10.247 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.139 2.855 8.674 1.00 0.00 N ATOM 0 H GLN A 80 7.299 4.522 6.548 1.00 0.00 H new ATOM 0 HA GLN A 80 7.133 1.783 6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.586 3.783 8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.035 2.218 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.894 1.072 8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.290 2.424 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.375 2.627 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.858 3.206 9.306 1.00 0.00 H new ATOM 1226 N PRO A 81 4.466 3.131 7.846 1.00 0.00 N ATOM 1227 CA PRO A 81 3.085 2.873 8.219 1.00 0.00 C ATOM 1228 C PRO A 81 2.194 2.769 6.980 1.00 0.00 C ATOM 1229 O PRO A 81 1.136 2.143 7.023 1.00 0.00 O ATOM 1230 CB PRO A 81 2.702 4.027 9.131 1.00 0.00 C ATOM 1231 CG PRO A 81 3.720 5.125 8.865 1.00 0.00 C ATOM 1232 CD PRO A 81 4.874 4.512 8.089 1.00 0.00 C ATOM 0 HA PRO A 81 2.958 1.919 8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.690 4.373 8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.722 3.721 10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.266 5.937 8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.075 5.552 9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.049 5.044 7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.802 4.556 8.659 1.00 0.00 H new ATOM 1240 N TYR A 82 2.654 3.391 5.905 1.00 0.00 N ATOM 1241 CA TYR A 82 1.911 3.376 4.656 1.00 0.00 C ATOM 1242 C TYR A 82 2.022 2.013 3.969 1.00 0.00 C ATOM 1243 O TYR A 82 1.013 1.428 3.576 1.00 0.00 O ATOM 1244 CB TYR A 82 2.561 4.437 3.766 1.00 0.00 C ATOM 1245 CG TYR A 82 2.192 5.874 4.139 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.345 6.310 5.439 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.705 6.734 3.175 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.997 7.663 5.791 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.357 8.086 3.527 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.520 8.484 4.817 1.00 0.00 C ATOM 1251 OH TYR A 82 1.192 9.761 5.149 1.00 0.00 O ATOM 0 H TYR A 82 3.532 3.909 5.873 1.00 0.00 H new ATOM 0 HA TYR A 82 0.854 3.572 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.644 4.326 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.271 4.255 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.726 5.637 6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.585 6.393 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.112 8.017 6.805 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.975 8.769 2.783 1.00 0.00 H new ATOM 0 HH TYR A 82 1.975 10.340 5.037 1.00 0.00 H new ATOM 1261 N ILE A 83 3.256 1.548 3.844 1.00 0.00 N ATOM 1262 CA ILE A 83 3.511 0.265 3.211 1.00 0.00 C ATOM 1263 C ILE A 83 2.910 -0.851 4.068 1.00 0.00 C ATOM 1264 O ILE A 83 2.424 -1.850 3.541 1.00 0.00 O ATOM 1265 CB ILE A 83 5.007 0.091 2.937 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.245 -0.944 1.836 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.764 -0.252 4.221 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.758 -0.427 0.481 1.00 0.00 C ATOM 0 H ILE A 83 4.090 2.036 4.170 1.00 0.00 H new ATOM 0 HA ILE A 83 3.023 0.218 2.237 1.00 0.00 H new ATOM 0 HB ILE A 83 5.401 1.041 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.307 -1.181 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.725 -1.870 2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.824 -0.370 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.633 0.551 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.375 -1.182 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.939 -1.183 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.690 -0.215 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.297 0.485 0.225 1.00 0.00 H new ATOM 1280 N THR A 84 2.963 -0.642 5.376 1.00 0.00 N ATOM 1281 CA THR A 84 2.429 -1.618 6.311 1.00 0.00 C ATOM 1282 C THR A 84 0.971 -1.938 5.974 1.00 0.00 C ATOM 1283 O THR A 84 0.600 -3.104 5.850 1.00 0.00 O ATOM 1284 CB THR A 84 2.620 -1.070 7.726 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.029 -1.118 7.931 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.055 -2.005 8.798 1.00 0.00 C ATOM 0 H THR A 84 3.367 0.188 5.810 1.00 0.00 H new ATOM 0 HA THR A 84 2.961 -2.567 6.240 1.00 0.00 H new ATOM 0 HB THR A 84 2.139 -0.095 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.467 -0.467 7.344 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.217 -1.568 9.784 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.986 -2.143 8.634 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.559 -2.970 8.741 1.00 0.00 H new ATOM 1294 N VAL A 85 0.184 -0.881 5.836 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.225 -1.034 5.516 1.00 0.00 C ATOM 1296 C VAL A 85 -1.365 -1.812 4.206 1.00 0.00 C ATOM 1297 O VAL A 85 -2.198 -2.710 4.099 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.904 0.336 5.473 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.377 0.206 5.080 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.755 1.064 6.810 1.00 0.00 C ATOM 0 H VAL A 85 0.495 0.085 5.940 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.732 -1.609 6.291 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.405 0.933 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.836 1.194 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.451 -0.252 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.894 -0.417 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.247 2.035 6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.215 0.471 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.697 1.205 7.031 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.536 -1.438 3.242 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.557 -2.090 1.943 1.00 0.00 C ATOM 1312 C TRP A 86 -0.413 -3.596 2.168 1.00 0.00 C ATOM 1313 O TRP A 86 -1.134 -4.389 1.563 1.00 0.00 O ATOM 1314 CB TRP A 86 0.525 -1.517 1.025 1.00 0.00 C ATOM 1315 CG TRP A 86 0.066 -0.314 0.198 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.164 0.986 0.506 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.573 -0.355 -1.096 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.361 1.784 -0.489 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.824 0.943 -1.495 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.926 -1.451 -1.903 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.438 1.265 -2.711 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.539 -1.111 -3.114 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.799 0.189 -3.531 1.00 0.00 C ATOM 0 H TRP A 86 0.154 -0.692 3.334 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.502 -1.903 1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.382 -1.223 1.630 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.866 -2.301 0.349 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.600 1.362 1.420 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.402 2.803 -0.487 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.739 -2.474 -1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.623 2.289 -3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.831 -1.916 -3.772 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.277 0.368 -4.483 1.00 0.00 H new ATOM 1334 N GLN A 87 0.521 -3.946 3.039 1.00 0.00 N ATOM 1335 CA GLN A 87 0.768 -5.344 3.351 1.00 0.00 C ATOM 1336 C GLN A 87 -0.476 -5.975 3.979 1.00 0.00 C ATOM 1337 O GLN A 87 -0.896 -7.060 3.578 1.00 0.00 O ATOM 1338 CB GLN A 87 1.982 -5.494 4.270 1.00 0.00 C ATOM 1339 CG GLN A 87 2.193 -6.957 4.665 1.00 0.00 C ATOM 1340 CD GLN A 87 2.458 -7.087 6.166 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.769 -6.518 6.996 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.494 -7.866 6.467 1.00 0.00 N ATOM 0 H GLN A 87 1.116 -3.286 3.539 1.00 0.00 H new ATOM 0 HA GLN A 87 0.989 -5.870 2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.872 -5.117 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.842 -4.888 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.313 -7.541 4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.033 -7.371 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.029 -8.313 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.753 -8.016 7.442 1.00 0.00 H new ATOM 1351 N ASP A 88 -1.032 -5.270 4.953 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.220 -5.748 5.640 1.00 0.00 C ATOM 1353 C ASP A 88 -3.327 -6.004 4.616 1.00 0.00 C ATOM 1354 O ASP A 88 -4.055 -6.990 4.717 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.732 -4.710 6.641 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.413 -5.291 7.882 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.963 -6.406 7.758 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.368 -4.606 8.926 1.00 0.00 O ATOM 0 H ASP A 88 -0.682 -4.371 5.283 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.958 -6.663 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.894 -4.091 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.437 -4.053 6.132 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.419 -5.099 3.652 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.426 -5.215 2.611 1.00 0.00 C ATOM 1365 C LEU A 89 -4.295 -6.579 1.930 1.00 0.00 C ATOM 1366 O LEU A 89 -5.263 -7.333 1.853 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.334 -4.034 1.643 1.00 0.00 C ATOM 1368 CG LEU A 89 -5.009 -2.739 2.098 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.283 -1.514 1.538 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.496 -2.739 1.736 1.00 0.00 C ATOM 0 H LEU A 89 -2.813 -4.283 3.570 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.426 -5.168 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.281 -3.825 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.773 -4.335 0.692 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.942 -2.683 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.784 -0.607 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.251 -1.511 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.296 -1.550 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.952 -1.807 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.607 -2.830 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.989 -3.580 2.224 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.089 -6.854 1.455 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.819 -8.114 0.783 1.00 0.00 C ATOM 1384 C VAL A 90 -3.297 -9.270 1.666 1.00 0.00 C ATOM 1385 O VAL A 90 -4.170 -10.040 1.267 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.335 -8.209 0.426 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.996 -9.586 -0.150 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.932 -7.095 -0.542 1.00 0.00 C ATOM 0 H VAL A 90 -2.288 -6.226 1.522 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.370 -8.172 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.761 -8.080 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.065 -9.627 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.228 -10.356 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.584 -9.758 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.128 -7.185 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.518 -7.179 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.119 -6.126 -0.079 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.704 -9.354 2.847 1.00 0.00 N ATOM 1399 CA GLN A 91 -3.058 -10.402 3.789 1.00 0.00 C ATOM 1400 C GLN A 91 -4.577 -10.566 3.854 1.00 0.00 C ATOM 1401 O GLN A 91 -5.113 -11.592 3.437 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.477 -10.114 5.175 1.00 0.00 C ATOM 1403 CG GLN A 91 -1.008 -10.532 5.252 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.336 -9.949 6.497 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -0.877 -9.965 7.591 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.869 -9.434 6.271 1.00 0.00 N ATOM 0 H GLN A 91 -1.980 -8.713 3.174 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.626 -11.339 3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.568 -9.051 5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.051 -10.649 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.936 -11.619 5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.483 -10.194 4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.264 -9.453 5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.399 -9.020 7.038 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.229 -9.540 4.382 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.677 -9.558 4.507 1.00 0.00 C ATOM 1417 C ASN A 92 -7.299 -8.911 3.268 1.00 0.00 C ATOM 1418 O ASN A 92 -7.924 -7.855 3.362 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.133 -8.765 5.734 1.00 0.00 C ATOM 1420 CG ASN A 92 -7.166 -9.653 6.979 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -8.149 -10.311 7.277 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -6.041 -9.635 7.687 1.00 0.00 N ATOM 0 H ASN A 92 -4.781 -8.691 4.728 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.994 -10.596 4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.459 -7.925 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.124 -8.348 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.964 -10.195 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.255 -9.061 7.381 1.00 0.00 H new ATOM 1429 N SER A 93 -7.108 -9.572 2.136 1.00 0.00 N ATOM 1430 CA SER A 93 -7.643 -9.075 0.880 1.00 0.00 C ATOM 1431 C SER A 93 -9.120 -8.711 1.047 1.00 0.00 C ATOM 1432 O SER A 93 -9.945 -9.572 1.345 1.00 0.00 O ATOM 1433 CB SER A 93 -7.474 -10.106 -0.238 1.00 0.00 C ATOM 1434 OG SER A 93 -8.546 -11.045 -0.264 1.00 0.00 O ATOM 0 H SER A 93 -6.590 -10.448 2.062 1.00 0.00 H new ATOM 0 HA SER A 93 -7.084 -8.182 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.417 -9.594 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.531 -10.636 -0.103 1.00 0.00 H new ATOM 0 HG SER A 93 -9.103 -10.928 0.534 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.415 -7.399 0.844 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.777 -6.910 0.969 1.00 0.00 C ATOM 1442 C PRO A 94 -11.622 -7.323 -0.238 1.00 0.00 C ATOM 1443 O PRO A 94 -11.084 -7.736 -1.264 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.643 -5.403 1.112 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.255 -5.057 0.598 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.463 -6.350 0.490 1.00 0.00 C ATOM 0 HA PRO A 94 -11.298 -7.334 1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.412 -4.886 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.762 -5.097 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.319 -4.566 -0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.760 -4.361 1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.073 -6.493 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.607 -6.348 1.165 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.965 -7.194 -0.071 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.889 -7.549 -1.135 1.00 0.00 C ATOM 1456 C PRO A 95 -13.889 -6.488 -2.238 1.00 0.00 C ATOM 1457 O PRO A 95 -14.241 -6.776 -3.381 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.239 -7.695 -0.451 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.114 -6.967 0.877 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.638 -6.708 1.130 1.00 0.00 C ATOM 0 HA PRO A 95 -13.612 -8.473 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.034 -7.264 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.488 -8.745 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.667 -6.028 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.540 -7.566 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.444 -5.648 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.290 -7.234 2.019 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.490 -5.284 -1.856 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.440 -4.179 -2.798 1.00 0.00 C ATOM 1470 C TRP A 96 -12.149 -4.308 -3.610 1.00 0.00 C ATOM 1471 O TRP A 96 -11.954 -3.592 -4.591 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.560 -2.836 -2.075 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.588 -2.671 -0.905 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.782 -2.997 0.380 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.255 -2.122 -0.965 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.676 -2.700 1.150 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.718 -2.151 0.306 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.527 -1.618 -2.057 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.430 -1.689 0.604 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.242 -1.161 -1.742 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.686 -1.183 -0.468 1.00 0.00 C ATOM 0 H TRP A 96 -13.198 -5.049 -0.907 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.287 -4.217 -3.483 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.390 -2.033 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.579 -2.723 -1.706 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.690 -3.437 0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.579 -2.855 2.154 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.927 -1.586 -3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.032 -1.721 1.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.640 -0.763 -2.545 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.685 -0.811 -0.306 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.301 -5.226 -3.171 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.035 -5.459 -3.844 1.00 0.00 C ATOM 1494 C ILE A 97 -10.141 -6.723 -4.699 1.00 0.00 C ATOM 1495 O ILE A 97 -9.971 -6.669 -5.917 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.888 -5.496 -2.832 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.321 -4.095 -2.593 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.806 -6.486 -3.265 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.083 -4.149 -1.696 1.00 0.00 C ATOM 0 H ILE A 97 -11.466 -5.818 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.807 -4.635 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.285 -5.849 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.063 -3.636 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.081 -3.465 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.003 -6.492 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.236 -7.485 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.407 -6.188 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.701 -3.140 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.350 -4.586 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.315 -4.759 -2.172 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.422 -7.830 -4.029 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.552 -9.106 -4.712 1.00 0.00 C ATOM 1513 C LYS A 98 -11.666 -9.921 -4.053 1.00 0.00 C ATOM 1514 O LYS A 98 -11.565 -10.284 -2.882 1.00 0.00 O ATOM 1515 CB LYS A 98 -9.205 -9.830 -4.758 1.00 0.00 C ATOM 1516 CG LYS A 98 -8.561 -9.703 -6.140 1.00 0.00 C ATOM 1517 CD LYS A 98 -8.476 -11.064 -6.833 1.00 0.00 C ATOM 1518 CE LYS A 98 -7.976 -10.917 -8.271 1.00 0.00 C ATOM 1519 NZ LYS A 98 -6.706 -11.655 -8.456 1.00 0.00 N ATOM 0 H LYS A 98 -10.563 -7.870 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.840 -8.953 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.538 -9.414 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.346 -10.883 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.142 -9.014 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.562 -9.278 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.805 -11.718 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.457 -11.538 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.728 -11.295 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.828 -9.863 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.380 -11.545 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.987 -11.276 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.858 -12.664 -8.253 1.00 0.00 H new ATOM 1533 N SER A 99 -12.704 -10.185 -4.833 1.00 0.00 N ATOM 1534 CA SER A 99 -13.836 -10.951 -4.339 1.00 0.00 C ATOM 1535 C SER A 99 -13.785 -12.376 -4.892 1.00 0.00 C ATOM 1536 O SER A 99 -13.547 -12.576 -6.083 1.00 0.00 O ATOM 1537 CB SER A 99 -15.160 -10.282 -4.715 1.00 0.00 C ATOM 1538 OG SER A 99 -16.284 -11.045 -4.285 1.00 0.00 O ATOM 0 H SER A 99 -12.785 -9.882 -5.804 1.00 0.00 H new ATOM 0 HA SER A 99 -13.775 -10.988 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.204 -9.289 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.205 -10.148 -5.796 1.00 0.00 H new ATOM 0 HG SER A 99 -17.110 -10.584 -4.542 1.00 0.00 H new ATOM 1544 N GLY A 100 -14.013 -13.331 -4.002 1.00 0.00 N ATOM 1545 CA GLY A 100 -13.996 -14.732 -4.387 1.00 0.00 C ATOM 1546 C GLY A 100 -15.162 -15.058 -5.323 1.00 0.00 C ATOM 1547 O GLY A 100 -16.125 -14.298 -5.408 1.00 0.00 O ATOM 0 H GLY A 100 -14.210 -13.162 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.053 -14.966 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.054 -15.358 -3.497 1.00 0.00 H new ATOM 1551 N PRO A 101 -15.034 -16.219 -6.018 1.00 0.00 N ATOM 1552 CA PRO A 101 -16.065 -16.655 -6.945 1.00 0.00 C ATOM 1553 C PRO A 101 -17.282 -17.200 -6.194 1.00 0.00 C ATOM 1554 O PRO A 101 -17.150 -18.086 -5.351 1.00 0.00 O ATOM 1555 CB PRO A 101 -15.392 -17.699 -7.820 1.00 0.00 C ATOM 1556 CG PRO A 101 -14.153 -18.145 -7.060 1.00 0.00 C ATOM 1557 CD PRO A 101 -13.907 -17.145 -5.942 1.00 0.00 C ATOM 0 HA PRO A 101 -16.457 -15.839 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.059 -18.540 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -15.125 -17.282 -8.791 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.295 -19.146 -6.652 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.292 -18.191 -7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.865 -17.639 -4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.958 -16.626 -6.077 1.00 0.00 H new ATOM 1565 N SER A 102 -18.439 -16.646 -6.526 1.00 0.00 N ATOM 1566 CA SER A 102 -19.678 -17.064 -5.893 1.00 0.00 C ATOM 1567 C SER A 102 -20.420 -18.051 -6.797 1.00 0.00 C ATOM 1568 O SER A 102 -20.916 -17.673 -7.858 1.00 0.00 O ATOM 1569 CB SER A 102 -20.569 -15.861 -5.576 1.00 0.00 C ATOM 1570 OG SER A 102 -20.161 -15.194 -4.385 1.00 0.00 O ATOM 0 H SER A 102 -18.544 -15.911 -7.225 1.00 0.00 H new ATOM 0 HA SER A 102 -19.432 -17.557 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.543 -15.161 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 102 -21.602 -16.193 -5.470 1.00 0.00 H new ATOM 0 HG SER A 102 -20.753 -14.431 -4.218 1.00 0.00 H new ATOM 1576 N SER A 103 -20.472 -19.295 -6.345 1.00 0.00 N ATOM 1577 CA SER A 103 -21.145 -20.338 -7.100 1.00 0.00 C ATOM 1578 C SER A 103 -20.444 -20.546 -8.444 1.00 0.00 C ATOM 1579 O SER A 103 -20.488 -19.677 -9.313 1.00 0.00 O ATOM 1580 CB SER A 103 -22.620 -19.996 -7.318 1.00 0.00 C ATOM 1581 OG SER A 103 -23.419 -20.334 -6.189 1.00 0.00 O ATOM 0 H SER A 103 -20.059 -19.604 -5.465 1.00 0.00 H new ATOM 0 HA SER A 103 -21.096 -21.263 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 103 -22.718 -18.930 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 103 -22.989 -20.527 -8.195 1.00 0.00 H new ATOM 0 HG SER A 103 -24.353 -20.099 -6.367 1.00 0.00 H new ATOM 1587 N GLY A 104 -19.813 -21.704 -8.573 1.00 0.00 N ATOM 1588 CA GLY A 104 -19.104 -22.038 -9.797 1.00 0.00 C ATOM 1589 C GLY A 104 -17.677 -21.485 -9.772 1.00 0.00 C ATOM 1590 O GLY A 104 -16.897 -21.728 -10.691 1.00 0.00 O ATOM 0 H GLY A 104 -19.778 -22.423 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -19.076 -23.120 -9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.640 -21.632 -10.655 1.00 0.00 H new TER 1594 GLY A 104