USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 794 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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 ASN : amide:sc= -4.88! K(o=-4.9!,f=-2) USER MOD Set 1.3: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1 K(o=-1,f=-0.044) USER MOD Single : A 20 SER OG : rot -25:sc= 0.453! USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 25 SER OG : rot 180:sc= -1.53 USER MOD Single : A 36 THR OG1 : rot -10:sc= 0.0285 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 57:sc= 0.27 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -75:sc= -0.234! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 48:sc= 0.321 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 43:sc= 0.641 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.335 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 70 GLN : amide:sc= -0.325 K(o=-0.32,f=-3!) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -0.0549 (180deg=-0.351) USER MOD Single : A 77 LYS NZ :NH3+ 149:sc= 0.00567 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 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 1 -10.419 18.771 -5.083 1.00 0.00 N ATOM 2 CA GLY A 1 -10.596 19.829 -4.106 1.00 0.00 C ATOM 3 C GLY A 1 -10.067 19.450 -2.737 1.00 0.00 C ATOM 4 O GLY A 1 -8.858 19.326 -2.545 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.797 19.080 -6.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.407 18.554 -5.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.927 17.920 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.086 20.728 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.655 20.073 -4.028 1.00 0.00 H new ATOM 8 N SER A 2 -10.974 19.268 -1.784 1.00 0.00 N ATOM 9 CA SER A 2 -10.592 18.905 -0.423 1.00 0.00 C ATOM 10 C SER A 2 -9.674 19.964 0.182 1.00 0.00 C ATOM 11 O SER A 2 -8.564 20.189 -0.300 1.00 0.00 O ATOM 12 CB SER A 2 -9.895 17.543 -0.413 1.00 0.00 C ATOM 13 OG SER A 2 -10.694 16.567 0.231 1.00 0.00 O ATOM 0 H SER A 2 -11.979 19.366 -1.928 1.00 0.00 H new ATOM 0 HA SER A 2 -11.498 18.845 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.687 17.230 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.935 17.626 0.097 1.00 0.00 H new ATOM 0 HG SER A 2 -10.228 15.705 0.223 1.00 0.00 H new ATOM 19 N SER A 3 -10.148 20.610 1.243 1.00 0.00 N ATOM 20 CA SER A 3 -9.373 21.648 1.914 1.00 0.00 C ATOM 21 C SER A 3 -9.952 21.952 3.292 1.00 0.00 C ATOM 22 O SER A 3 -11.167 21.952 3.481 1.00 0.00 O ATOM 23 CB SER A 3 -9.345 22.921 1.067 1.00 0.00 C ATOM 24 OG SER A 3 -8.059 23.516 1.082 1.00 0.00 O ATOM 0 H SER A 3 -11.064 20.433 1.656 1.00 0.00 H new ATOM 0 HA SER A 3 -8.354 21.282 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.628 22.685 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.081 23.630 1.446 1.00 0.00 H new ATOM 0 HG SER A 3 -8.067 24.327 0.532 1.00 0.00 H new ATOM 30 N GLY A 4 -9.071 22.212 4.253 1.00 0.00 N ATOM 31 CA GLY A 4 -9.512 22.515 5.602 1.00 0.00 C ATOM 32 C GLY A 4 -8.377 22.481 6.605 1.00 0.00 C ATOM 33 O GLY A 4 -7.880 23.525 7.027 1.00 0.00 O ATOM 0 H GLY A 4 -8.060 22.218 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.976 23.501 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.278 21.799 5.900 1.00 0.00 H new ATOM 37 N SER A 5 -7.965 21.277 6.989 1.00 0.00 N ATOM 38 CA SER A 5 -6.884 21.110 7.955 1.00 0.00 C ATOM 39 C SER A 5 -5.641 21.881 7.517 1.00 0.00 C ATOM 40 O SER A 5 -5.305 21.918 6.333 1.00 0.00 O ATOM 41 CB SER A 5 -6.546 19.628 8.122 1.00 0.00 C ATOM 42 OG SER A 5 -7.107 19.109 9.315 1.00 0.00 O ATOM 0 H SER A 5 -8.363 20.403 6.646 1.00 0.00 H new ATOM 0 HA SER A 5 -7.220 21.509 8.912 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.921 19.067 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.464 19.498 8.139 1.00 0.00 H new ATOM 0 HG SER A 5 -6.878 18.160 9.398 1.00 0.00 H new ATOM 48 N SER A 6 -4.964 22.495 8.482 1.00 0.00 N ATOM 49 CA SER A 6 -3.761 23.268 8.196 1.00 0.00 C ATOM 50 C SER A 6 -2.584 22.348 7.886 1.00 0.00 C ATOM 51 O SER A 6 -2.673 21.132 8.050 1.00 0.00 O ATOM 52 CB SER A 6 -3.418 24.172 9.382 1.00 0.00 C ATOM 53 OG SER A 6 -4.322 25.259 9.473 1.00 0.00 O ATOM 0 H SER A 6 -5.227 22.472 9.467 1.00 0.00 H new ATOM 0 HA SER A 6 -3.956 23.887 7.320 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.447 23.593 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.401 24.549 9.274 1.00 0.00 H new ATOM 0 HG SER A 6 -4.082 25.820 10.240 1.00 0.00 H new ATOM 59 N GLY A 7 -1.481 22.939 7.437 1.00 0.00 N ATOM 60 CA GLY A 7 -0.301 22.159 7.111 1.00 0.00 C ATOM 61 C GLY A 7 0.937 23.018 6.954 1.00 0.00 C ATOM 62 O GLY A 7 1.044 23.796 6.006 1.00 0.00 O ATOM 0 H GLY A 7 -1.383 23.944 7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.130 21.420 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.477 21.609 6.187 1.00 0.00 H new ATOM 66 N ILE A 8 1.874 22.879 7.886 1.00 0.00 N ATOM 67 CA ILE A 8 3.111 23.650 7.847 1.00 0.00 C ATOM 68 C ILE A 8 4.266 22.808 7.316 1.00 0.00 C ATOM 69 O ILE A 8 4.846 22.002 8.043 1.00 0.00 O ATOM 70 CB ILE A 8 3.482 24.190 9.241 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.589 23.559 10.311 1.00 0.00 C ATOM 72 CG2 ILE A 8 3.363 25.706 9.271 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.855 24.081 11.705 1.00 0.00 C ATOM 0 H ILE A 8 1.800 22.240 8.677 1.00 0.00 H new ATOM 0 HA ILE A 8 2.938 24.491 7.175 1.00 0.00 H new ATOM 0 HB ILE A 8 4.517 23.922 9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.545 23.743 10.056 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.734 22.479 10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.628 26.072 10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.037 26.139 8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.338 25.995 9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.186 23.590 12.411 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.889 23.873 11.980 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.682 25.157 11.730 1.00 0.00 H new ATOM 85 N LEU A 9 4.596 23.002 6.043 1.00 0.00 N ATOM 86 CA LEU A 9 5.684 22.264 5.413 1.00 0.00 C ATOM 87 C LEU A 9 6.498 23.169 4.495 1.00 0.00 C ATOM 88 O LEU A 9 6.179 24.346 4.323 1.00 0.00 O ATOM 89 CB LEU A 9 5.129 21.078 4.620 1.00 0.00 C ATOM 90 CG LEU A 9 4.696 19.864 5.441 1.00 0.00 C ATOM 91 CD1 LEU A 9 5.746 19.528 6.490 1.00 0.00 C ATOM 92 CD2 LEU A 9 3.346 20.116 6.096 1.00 0.00 C ATOM 0 H LEU A 9 4.125 23.665 5.427 1.00 0.00 H new ATOM 0 HA LEU A 9 6.341 21.892 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.273 21.423 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.888 20.757 3.907 1.00 0.00 H new ATOM 0 HG LEU A 9 4.597 19.011 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.421 18.661 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.693 19.303 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.877 20.379 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.054 19.241 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.417 20.981 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.598 20.307 5.326 1.00 0.00 H new ATOM 104 N THR A 10 7.551 22.612 3.904 1.00 0.00 N ATOM 105 CA THR A 10 8.409 23.369 3.002 1.00 0.00 C ATOM 106 C THR A 10 8.670 22.596 1.714 1.00 0.00 C ATOM 107 O THR A 10 9.641 22.863 1.006 1.00 0.00 O ATOM 108 CB THR A 10 9.758 23.710 3.664 1.00 0.00 C ATOM 109 OG1 THR A 10 9.693 23.446 5.071 1.00 0.00 O ATOM 110 CG2 THR A 10 10.121 25.169 3.434 1.00 0.00 C ATOM 0 H THR A 10 7.829 21.639 4.034 1.00 0.00 H new ATOM 0 HA THR A 10 7.883 24.294 2.768 1.00 0.00 H new ATOM 0 HB THR A 10 10.528 23.085 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.554 23.663 5.485 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.077 25.386 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.198 25.361 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.349 25.808 3.863 1.00 0.00 H new ATOM 118 N GLU A 11 7.798 21.639 1.417 1.00 0.00 N ATOM 119 CA GLU A 11 7.936 20.827 0.213 1.00 0.00 C ATOM 120 C GLU A 11 9.366 20.318 0.061 1.00 0.00 C ATOM 121 O GLU A 11 9.961 20.419 -1.011 1.00 0.00 O ATOM 122 CB GLU A 11 7.537 21.636 -1.023 1.00 0.00 C ATOM 123 CG GLU A 11 8.354 22.903 -1.211 1.00 0.00 C ATOM 124 CD GLU A 11 8.068 23.592 -2.531 1.00 0.00 C ATOM 125 OE1 GLU A 11 7.925 22.886 -3.551 1.00 0.00 O ATOM 126 OE2 GLU A 11 7.984 24.838 -2.543 1.00 0.00 O ATOM 0 H GLU A 11 6.989 21.406 1.993 1.00 0.00 H new ATOM 0 HA GLU A 11 7.271 19.968 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.646 21.009 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.482 21.902 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.143 23.592 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.415 22.658 -1.156 1.00 0.00 H new ATOM 133 N ASN A 12 9.912 19.773 1.142 1.00 0.00 N ATOM 134 CA ASN A 12 11.274 19.249 1.131 1.00 0.00 C ATOM 135 C ASN A 12 11.558 18.442 2.394 1.00 0.00 C ATOM 136 O ASN A 12 12.305 17.464 2.365 1.00 0.00 O ATOM 137 CB ASN A 12 12.281 20.394 1.005 1.00 0.00 C ATOM 138 CG ASN A 12 12.781 20.873 2.355 1.00 0.00 C ATOM 139 OD1 ASN A 12 13.984 20.870 2.620 1.00 0.00 O ATOM 140 ND2 ASN A 12 11.858 21.288 3.215 1.00 0.00 N ATOM 0 H ASN A 12 9.433 19.682 2.038 1.00 0.00 H new ATOM 0 HA ASN A 12 11.376 18.588 0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 12 13.128 20.065 0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.817 21.226 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.135 21.622 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.873 21.273 2.952 1.00 0.00 H new ATOM 147 N THR A 13 10.954 18.858 3.503 1.00 0.00 N ATOM 148 CA THR A 13 11.142 18.175 4.777 1.00 0.00 C ATOM 149 C THR A 13 10.659 16.732 4.703 1.00 0.00 C ATOM 150 O THR A 13 9.512 16.451 4.354 1.00 0.00 O ATOM 151 CB THR A 13 10.396 18.896 5.916 1.00 0.00 C ATOM 152 OG1 THR A 13 10.908 20.224 6.073 1.00 0.00 O ATOM 153 CG2 THR A 13 10.538 18.133 7.224 1.00 0.00 C ATOM 0 H THR A 13 10.331 19.664 3.544 1.00 0.00 H new ATOM 0 HA THR A 13 12.211 18.187 4.988 1.00 0.00 H new ATOM 0 HB THR A 13 9.339 18.944 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.428 20.676 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.003 18.661 8.013 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.120 17.133 7.109 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.593 18.057 7.488 1.00 0.00 H new ATOM 161 N PRO A 14 11.554 15.790 5.040 1.00 0.00 N ATOM 162 CA PRO A 14 11.240 14.357 5.020 1.00 0.00 C ATOM 163 C PRO A 14 10.264 13.963 6.122 1.00 0.00 C ATOM 164 O PRO A 14 10.117 14.670 7.119 1.00 0.00 O ATOM 165 CB PRO A 14 12.602 13.694 5.248 1.00 0.00 C ATOM 166 CG PRO A 14 13.403 14.716 5.978 1.00 0.00 C ATOM 167 CD PRO A 14 12.938 16.050 5.465 1.00 0.00 C ATOM 0 HA PRO A 14 10.755 14.058 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.504 12.778 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.073 13.422 4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.249 14.637 7.054 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.469 14.578 5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.983 16.816 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.554 16.398 4.636 1.00 0.00 H new ATOM 175 N VAL A 15 9.596 12.828 5.938 1.00 0.00 N ATOM 176 CA VAL A 15 8.635 12.338 6.917 1.00 0.00 C ATOM 177 C VAL A 15 8.677 10.818 7.016 1.00 0.00 C ATOM 178 O VAL A 15 9.130 10.137 6.096 1.00 0.00 O ATOM 179 CB VAL A 15 7.202 12.780 6.566 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.319 12.763 7.804 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.211 14.159 5.926 1.00 0.00 C ATOM 0 H VAL A 15 9.704 12.231 5.118 1.00 0.00 H new ATOM 0 HA VAL A 15 8.915 12.769 7.878 1.00 0.00 H new ATOM 0 HB VAL A 15 6.789 12.074 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.311 13.078 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.287 11.754 8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.726 13.445 8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.190 14.455 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.643 14.880 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.806 14.133 5.013 1.00 0.00 H new ATOM 191 N PHE A 16 8.202 10.290 8.140 1.00 0.00 N ATOM 192 CA PHE A 16 8.184 8.848 8.359 1.00 0.00 C ATOM 193 C PHE A 16 6.834 8.398 8.910 1.00 0.00 C ATOM 194 O PHE A 16 6.343 8.942 9.898 1.00 0.00 O ATOM 195 CB PHE A 16 9.301 8.446 9.325 1.00 0.00 C ATOM 196 CG PHE A 16 9.910 7.107 9.014 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.971 7.003 8.129 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.420 5.955 9.605 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.531 5.773 7.840 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.976 4.722 9.321 1.00 0.00 C ATOM 201 CZ PHE A 16 11.034 4.632 8.437 1.00 0.00 C ATOM 0 H PHE A 16 7.825 10.839 8.913 1.00 0.00 H new ATOM 0 HA PHE A 16 8.346 8.357 7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.082 9.206 9.301 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.904 8.429 10.340 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.365 7.893 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.593 6.021 10.297 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.357 5.705 7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.584 3.831 9.789 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.472 3.670 8.213 1.00 0.00 H new ATOM 211 N GLU A 17 6.241 7.401 8.261 1.00 0.00 N ATOM 212 CA GLU A 17 4.946 6.878 8.685 1.00 0.00 C ATOM 213 C GLU A 17 4.896 5.361 8.531 1.00 0.00 C ATOM 214 O GLU A 17 5.525 4.796 7.636 1.00 0.00 O ATOM 215 CB GLU A 17 3.821 7.522 7.873 1.00 0.00 C ATOM 216 CG GLU A 17 2.648 7.984 8.719 1.00 0.00 C ATOM 217 CD GLU A 17 2.399 9.475 8.608 1.00 0.00 C ATOM 218 OE1 GLU A 17 3.386 10.241 8.568 1.00 0.00 O ATOM 219 OE2 GLU A 17 1.218 9.878 8.560 1.00 0.00 O ATOM 0 H GLU A 17 6.635 6.940 7.441 1.00 0.00 H new ATOM 0 HA GLU A 17 4.810 7.124 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.222 8.375 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.464 6.807 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.751 7.446 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.834 7.727 9.762 1.00 0.00 H new ATOM 226 N GLN A 18 4.145 4.708 9.412 1.00 0.00 N ATOM 227 CA GLN A 18 4.013 3.256 9.375 1.00 0.00 C ATOM 228 C GLN A 18 2.568 2.847 9.110 1.00 0.00 C ATOM 229 O GLN A 18 1.635 3.426 9.669 1.00 0.00 O ATOM 230 CB GLN A 18 4.495 2.646 10.692 1.00 0.00 C ATOM 231 CG GLN A 18 5.910 2.094 10.626 1.00 0.00 C ATOM 232 CD GLN A 18 6.118 0.910 11.549 1.00 0.00 C ATOM 233 OE1 GLN A 18 5.660 0.910 12.692 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.813 -0.110 11.056 1.00 0.00 N ATOM 0 H GLN A 18 3.619 5.161 10.160 1.00 0.00 H new ATOM 0 HA GLN A 18 4.632 2.881 8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.446 3.404 11.473 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.815 1.845 10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.132 1.795 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.616 2.882 10.888 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.174 -0.068 10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.985 -0.935 11.631 1.00 0.00 H new ATOM 243 N LEU A 19 2.389 1.846 8.254 1.00 0.00 N ATOM 244 CA LEU A 19 1.057 1.359 7.914 1.00 0.00 C ATOM 245 C LEU A 19 1.000 -0.163 7.983 1.00 0.00 C ATOM 246 O LEU A 19 1.709 -0.855 7.252 1.00 0.00 O ATOM 247 CB LEU A 19 0.661 1.833 6.515 1.00 0.00 C ATOM 248 CG LEU A 19 -0.442 2.889 6.451 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.010 4.174 7.127 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.842 3.156 5.006 1.00 0.00 C ATOM 0 H LEU A 19 3.150 1.356 7.783 1.00 0.00 H new ATOM 0 HA LEU A 19 0.353 1.764 8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.548 2.233 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.340 0.966 5.937 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.314 2.509 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.788 4.914 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.246 3.972 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.897 4.558 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.628 3.910 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.024 3.515 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.208 2.234 4.554 1.00 0.00 H new ATOM 262 N SER A 20 0.149 -0.679 8.865 1.00 0.00 N ATOM 263 CA SER A 20 0.000 -2.120 9.031 1.00 0.00 C ATOM 264 C SER A 20 -1.015 -2.679 8.039 1.00 0.00 C ATOM 265 O SER A 20 -2.159 -2.229 7.985 1.00 0.00 O ATOM 266 CB SER A 20 -0.434 -2.448 10.461 1.00 0.00 C ATOM 267 OG SER A 20 -1.826 -2.703 10.525 1.00 0.00 O ATOM 0 H SER A 20 -0.447 -0.120 9.475 1.00 0.00 H new ATOM 0 HA SER A 20 0.966 -2.585 8.836 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.115 -3.318 10.821 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.182 -1.617 11.120 1.00 0.00 H new ATOM 0 HG SER A 20 -2.276 -2.250 9.782 1.00 0.00 H new ATOM 273 N VAL A 21 -0.586 -3.664 7.255 1.00 0.00 N ATOM 274 CA VAL A 21 -1.456 -4.286 6.264 1.00 0.00 C ATOM 275 C VAL A 21 -1.503 -5.799 6.448 1.00 0.00 C ATOM 276 O VAL A 21 -0.555 -6.421 6.926 1.00 0.00 O ATOM 277 CB VAL A 21 -0.993 -3.967 4.831 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.661 -2.489 4.693 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.203 -4.829 4.454 1.00 0.00 C ATOM 0 H VAL A 21 0.358 -4.048 7.287 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.454 -3.873 6.414 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.808 -4.196 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.336 -2.283 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.546 -1.895 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.137 -2.229 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.517 -4.591 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.024 -4.633 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.075 -5.881 4.510 1.00 0.00 H new ATOM 289 N PRO A 22 -2.633 -6.407 6.057 1.00 0.00 N ATOM 290 CA PRO A 22 -2.831 -7.856 6.167 1.00 0.00 C ATOM 291 C PRO A 22 -1.958 -8.636 5.191 1.00 0.00 C ATOM 292 O PRO A 22 -1.803 -8.244 4.034 1.00 0.00 O ATOM 293 CB PRO A 22 -4.311 -8.038 5.825 1.00 0.00 C ATOM 294 CG PRO A 22 -4.651 -6.864 4.974 1.00 0.00 C ATOM 295 CD PRO A 22 -3.804 -5.728 5.478 1.00 0.00 C ATOM 0 HA PRO A 22 -2.558 -8.231 7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.482 -8.974 5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.925 -8.065 6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.443 -7.070 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.711 -6.623 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.519 -5.051 4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.332 -5.132 6.223 1.00 0.00 H new ATOM 303 N GLN A 23 -1.390 -9.741 5.663 1.00 0.00 N ATOM 304 CA GLN A 23 -0.532 -10.575 4.831 1.00 0.00 C ATOM 305 C GLN A 23 -1.344 -11.283 3.751 1.00 0.00 C ATOM 306 O GLN A 23 -0.785 -11.938 2.870 1.00 0.00 O ATOM 307 CB GLN A 23 0.204 -11.604 5.690 1.00 0.00 C ATOM 308 CG GLN A 23 -0.665 -12.780 6.108 1.00 0.00 C ATOM 309 CD GLN A 23 -0.047 -14.118 5.754 1.00 0.00 C ATOM 310 OE1 GLN A 23 0.210 -14.406 4.585 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.195 -14.944 6.765 1.00 0.00 N ATOM 0 H GLN A 23 -1.509 -10.079 6.618 1.00 0.00 H new ATOM 0 HA GLN A 23 0.200 -9.929 4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.065 -11.978 5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.588 -11.111 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.836 -12.736 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.639 -12.696 5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.034 -14.664 7.719 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.610 -15.859 6.588 1.00 0.00 H new ATOM 320 N ARG A 24 -2.664 -11.146 3.824 1.00 0.00 N ATOM 321 CA ARG A 24 -3.552 -11.774 2.854 1.00 0.00 C ATOM 322 C ARG A 24 -3.755 -10.872 1.640 1.00 0.00 C ATOM 323 O ARG A 24 -4.072 -11.346 0.549 1.00 0.00 O ATOM 324 CB ARG A 24 -4.903 -12.092 3.498 1.00 0.00 C ATOM 325 CG ARG A 24 -5.409 -10.997 4.423 1.00 0.00 C ATOM 326 CD ARG A 24 -6.832 -11.271 4.883 1.00 0.00 C ATOM 327 NE ARG A 24 -7.541 -10.042 5.232 1.00 0.00 N ATOM 328 CZ ARG A 24 -7.942 -9.146 4.336 1.00 0.00 C ATOM 329 NH1 ARG A 24 -7.707 -9.343 3.046 1.00 0.00 N ATOM 330 NH2 ARG A 24 -8.582 -8.053 4.730 1.00 0.00 N ATOM 0 H ARG A 24 -3.142 -10.606 4.545 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.088 -12.703 2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.640 -12.262 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.818 -13.021 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.753 -10.920 5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.370 -10.037 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.375 -11.791 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.812 -11.936 5.747 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.739 -9.862 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.217 -10.184 2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.016 -8.654 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.767 -7.900 5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.889 -7.366 4.042 1.00 0.00 H new ATOM 344 N SER A 25 -3.572 -9.571 1.838 1.00 0.00 N ATOM 345 CA SER A 25 -3.739 -8.602 0.760 1.00 0.00 C ATOM 346 C SER A 25 -2.399 -7.983 0.374 1.00 0.00 C ATOM 347 O SER A 25 -2.267 -7.373 -0.686 1.00 0.00 O ATOM 348 CB SER A 25 -4.719 -7.505 1.180 1.00 0.00 C ATOM 349 OG SER A 25 -5.802 -8.043 1.918 1.00 0.00 O ATOM 0 H SER A 25 -3.308 -9.163 2.735 1.00 0.00 H new ATOM 0 HA SER A 25 -4.141 -9.125 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.199 -6.760 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.097 -6.993 0.295 1.00 0.00 H new ATOM 0 HG SER A 25 -6.413 -7.321 2.176 1.00 0.00 H new ATOM 355 N VAL A 26 -1.406 -8.145 1.244 1.00 0.00 N ATOM 356 CA VAL A 26 -0.075 -7.603 0.994 1.00 0.00 C ATOM 357 C VAL A 26 0.488 -8.117 -0.326 1.00 0.00 C ATOM 358 O VAL A 26 1.372 -7.499 -0.917 1.00 0.00 O ATOM 359 CB VAL A 26 0.899 -7.964 2.131 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.440 -9.373 1.943 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.033 -6.953 2.201 1.00 0.00 C ATOM 0 H VAL A 26 -1.498 -8.647 2.127 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.178 -6.519 0.944 1.00 0.00 H new ATOM 0 HB VAL A 26 0.356 -7.932 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.126 -9.611 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.613 -10.084 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.968 -9.436 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.712 -7.223 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.577 -6.950 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.624 -5.960 2.387 1.00 0.00 H new ATOM 371 N GLY A 27 -0.031 -9.253 -0.783 1.00 0.00 N ATOM 372 CA GLY A 27 0.433 -9.831 -2.030 1.00 0.00 C ATOM 373 C GLY A 27 0.072 -8.981 -3.233 1.00 0.00 C ATOM 374 O GLY A 27 0.678 -9.110 -4.296 1.00 0.00 O ATOM 0 H GLY A 27 -0.764 -9.783 -0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.515 -9.956 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.002 -10.825 -2.149 1.00 0.00 H new ATOM 378 N ARG A 28 -0.919 -8.111 -3.064 1.00 0.00 N ATOM 379 CA ARG A 28 -1.361 -7.238 -4.145 1.00 0.00 C ATOM 380 C ARG A 28 -0.727 -5.856 -4.022 1.00 0.00 C ATOM 381 O ARG A 28 -0.614 -5.124 -5.007 1.00 0.00 O ATOM 382 CB ARG A 28 -2.886 -7.114 -4.138 1.00 0.00 C ATOM 383 CG ARG A 28 -3.456 -6.539 -5.424 1.00 0.00 C ATOM 384 CD ARG A 28 -3.684 -7.623 -6.466 1.00 0.00 C ATOM 385 NE ARG A 28 -2.508 -7.830 -7.306 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.467 -8.694 -8.315 1.00 0.00 C ATOM 387 NH1 ARG A 28 -3.533 -9.427 -8.607 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.360 -8.825 -9.033 1.00 0.00 N ATOM 0 H ARG A 28 -1.430 -7.992 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.044 -7.681 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.321 -8.098 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.187 -6.482 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.398 -6.033 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.774 -5.788 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.942 -8.557 -5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.534 -7.351 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.672 -7.281 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.386 -9.328 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.500 -10.090 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.539 -8.262 -8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.330 -9.488 -9.807 1.00 0.00 H new ATOM 402 N ILE A 29 -0.315 -5.505 -2.808 1.00 0.00 N ATOM 403 CA ILE A 29 0.307 -4.211 -2.558 1.00 0.00 C ATOM 404 C ILE A 29 1.791 -4.239 -2.907 1.00 0.00 C ATOM 405 O ILE A 29 2.300 -3.334 -3.569 1.00 0.00 O ATOM 406 CB ILE A 29 0.144 -3.784 -1.087 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.321 -3.893 -0.661 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.656 -2.365 -0.888 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.503 -4.146 0.819 1.00 0.00 C ATOM 0 H ILE A 29 -0.401 -6.099 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.200 -3.487 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 29 0.735 -4.453 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.839 -2.972 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.794 -4.700 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.534 -2.077 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.711 -2.318 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.090 -1.682 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.566 -4.212 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.014 -5.082 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.059 -3.327 1.385 1.00 0.00 H new ATOM 421 N ILE A 30 2.480 -5.283 -2.457 1.00 0.00 N ATOM 422 CA ILE A 30 3.905 -5.430 -2.723 1.00 0.00 C ATOM 423 C ILE A 30 4.146 -6.063 -4.089 1.00 0.00 C ATOM 424 O ILE A 30 5.217 -5.912 -4.676 1.00 0.00 O ATOM 425 CB ILE A 30 4.595 -6.285 -1.644 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.809 -5.463 -0.371 1.00 0.00 C ATOM 427 CG2 ILE A 30 5.920 -6.824 -2.162 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.192 -4.861 -0.266 1.00 0.00 C ATOM 0 H ILE A 30 2.074 -6.039 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 30 4.334 -4.428 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 30 3.950 -7.131 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.070 -4.663 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.631 -6.099 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.395 -7.426 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.742 -7.440 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.573 -5.992 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.272 -4.292 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.937 -5.657 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.366 -4.199 -1.114 1.00 0.00 H new ATOM 440 N GLY A 31 3.141 -6.774 -4.592 1.00 0.00 N ATOM 441 CA GLY A 31 3.263 -7.419 -5.886 1.00 0.00 C ATOM 442 C GLY A 31 3.786 -8.838 -5.779 1.00 0.00 C ATOM 443 O GLY A 31 3.559 -9.517 -4.779 1.00 0.00 O ATOM 0 H GLY A 31 2.245 -6.915 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.290 -7.430 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.932 -6.835 -6.518 1.00 0.00 H new ATOM 447 N ARG A 32 4.488 -9.287 -6.815 1.00 0.00 N ATOM 448 CA ARG A 32 5.043 -10.635 -6.835 1.00 0.00 C ATOM 449 C ARG A 32 6.495 -10.633 -6.367 1.00 0.00 C ATOM 450 O ARG A 32 7.345 -11.312 -6.943 1.00 0.00 O ATOM 451 CB ARG A 32 4.950 -11.227 -8.243 1.00 0.00 C ATOM 452 CG ARG A 32 5.958 -10.641 -9.217 1.00 0.00 C ATOM 453 CD ARG A 32 6.951 -11.690 -9.691 1.00 0.00 C ATOM 454 NE ARG A 32 8.275 -11.123 -9.931 1.00 0.00 N ATOM 455 CZ ARG A 32 9.377 -11.853 -10.053 1.00 0.00 C ATOM 456 NH1 ARG A 32 9.314 -13.175 -9.960 1.00 0.00 N ATOM 457 NH2 ARG A 32 10.545 -11.264 -10.271 1.00 0.00 N ATOM 0 H ARG A 32 4.686 -8.737 -7.651 1.00 0.00 H new ATOM 0 HA ARG A 32 4.460 -11.251 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.098 -12.305 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.945 -11.063 -8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.434 -10.221 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.494 -9.821 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.026 -12.481 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.582 -12.150 -10.608 1.00 0.00 H new ATOM 0 HE ARG A 32 8.358 -10.109 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.417 -13.632 -9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.162 -13.734 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.598 -10.248 -10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.390 -11.827 -10.364 1.00 0.00 H new ATOM 471 N GLY A 33 6.773 -9.862 -5.319 1.00 0.00 N ATOM 472 CA GLY A 33 8.123 -9.785 -4.792 1.00 0.00 C ATOM 473 C GLY A 33 8.598 -8.356 -4.623 1.00 0.00 C ATOM 474 O GLY A 33 9.609 -8.103 -3.969 1.00 0.00 O ATOM 0 H GLY A 33 6.087 -9.290 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.164 -10.294 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.802 -10.314 -5.461 1.00 0.00 H new ATOM 478 N GLY A 34 7.867 -7.416 -5.215 1.00 0.00 N ATOM 479 CA GLY A 34 8.236 -6.016 -5.115 1.00 0.00 C ATOM 480 C GLY A 34 7.938 -5.246 -6.386 1.00 0.00 C ATOM 481 O GLY A 34 7.848 -4.019 -6.369 1.00 0.00 O ATOM 0 H GLY A 34 7.026 -7.599 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.699 -5.560 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.299 -5.939 -4.888 1.00 0.00 H new ATOM 485 N GLU A 35 7.787 -5.968 -7.492 1.00 0.00 N ATOM 486 CA GLU A 35 7.500 -5.344 -8.778 1.00 0.00 C ATOM 487 C GLU A 35 6.408 -4.287 -8.639 1.00 0.00 C ATOM 488 O GLU A 35 6.335 -3.344 -9.428 1.00 0.00 O ATOM 489 CB GLU A 35 7.075 -6.401 -9.800 1.00 0.00 C ATOM 490 CG GLU A 35 5.642 -6.875 -9.625 1.00 0.00 C ATOM 491 CD GLU A 35 4.729 -6.399 -10.738 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.131 -6.495 -11.916 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.613 -5.931 -10.431 1.00 0.00 O ATOM 0 H GLU A 35 7.859 -6.985 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 35 8.410 -4.857 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.194 -5.992 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.744 -7.258 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.626 -7.964 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.260 -6.518 -8.669 1.00 0.00 H new ATOM 500 N THR A 36 5.559 -4.451 -7.629 1.00 0.00 N ATOM 501 CA THR A 36 4.469 -3.514 -7.386 1.00 0.00 C ATOM 502 C THR A 36 4.871 -2.459 -6.361 1.00 0.00 C ATOM 503 O THR A 36 4.510 -1.288 -6.489 1.00 0.00 O ATOM 504 CB THR A 36 3.205 -4.240 -6.890 1.00 0.00 C ATOM 505 OG1 THR A 36 2.816 -5.247 -7.831 1.00 0.00 O ATOM 506 CG2 THR A 36 2.061 -3.258 -6.690 1.00 0.00 C ATOM 0 H THR A 36 5.606 -5.225 -6.966 1.00 0.00 H new ATOM 0 HA THR A 36 4.250 -3.029 -8.337 1.00 0.00 H new ATOM 0 HB THR A 36 3.434 -4.708 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.344 -5.150 -8.651 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.179 -3.794 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.349 -2.510 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.835 -2.766 -7.636 1.00 0.00 H new ATOM 514 N ILE A 37 5.618 -2.880 -5.347 1.00 0.00 N ATOM 515 CA ILE A 37 6.070 -1.969 -4.302 1.00 0.00 C ATOM 516 C ILE A 37 7.114 -0.993 -4.836 1.00 0.00 C ATOM 517 O ILE A 37 7.355 0.058 -4.244 1.00 0.00 O ATOM 518 CB ILE A 37 6.665 -2.736 -3.106 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.460 -1.944 -1.812 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.144 -3.010 -3.336 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.011 -1.620 -1.526 1.00 0.00 C ATOM 0 H ILE A 37 5.923 -3.846 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 37 5.194 -1.413 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 37 6.148 -3.691 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.868 -2.515 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.027 -1.015 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.551 -3.553 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.267 -3.609 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.675 -2.065 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.941 -1.058 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.604 -1.023 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.442 -2.545 -1.435 1.00 0.00 H new ATOM 533 N ARG A 38 7.727 -1.349 -5.960 1.00 0.00 N ATOM 534 CA ARG A 38 8.744 -0.504 -6.575 1.00 0.00 C ATOM 535 C ARG A 38 8.102 0.580 -7.437 1.00 0.00 C ATOM 536 O ARG A 38 8.573 1.717 -7.474 1.00 0.00 O ATOM 537 CB ARG A 38 9.694 -1.349 -7.425 1.00 0.00 C ATOM 538 CG ARG A 38 10.518 -2.337 -6.616 1.00 0.00 C ATOM 539 CD ARG A 38 11.892 -2.555 -7.233 1.00 0.00 C ATOM 540 NE ARG A 38 12.945 -2.596 -6.223 1.00 0.00 N ATOM 541 CZ ARG A 38 14.121 -3.185 -6.411 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.392 -3.779 -7.565 1.00 0.00 N ATOM 543 NH2 ARG A 38 15.029 -3.181 -5.444 1.00 0.00 N ATOM 0 H ARG A 38 7.538 -2.216 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 38 9.311 -0.023 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.114 -1.896 -8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.367 -0.687 -7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.630 -1.969 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.990 -3.289 -6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.893 -3.489 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.102 -1.755 -7.943 1.00 0.00 H new ATOM 0 HE ARG A 38 12.768 -2.148 -5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.697 -3.785 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.296 -4.230 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.825 -2.725 -4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.931 -3.634 -5.590 1.00 0.00 H new ATOM 557 N SER A 39 7.026 0.219 -8.128 1.00 0.00 N ATOM 558 CA SER A 39 6.322 1.159 -8.993 1.00 0.00 C ATOM 559 C SER A 39 5.643 2.249 -8.172 1.00 0.00 C ATOM 560 O SER A 39 5.598 3.411 -8.577 1.00 0.00 O ATOM 561 CB SER A 39 5.285 0.424 -9.843 1.00 0.00 C ATOM 562 OG SER A 39 5.682 0.372 -11.202 1.00 0.00 O ATOM 0 H SER A 39 6.622 -0.717 -8.106 1.00 0.00 H new ATOM 0 HA SER A 39 7.054 1.627 -9.651 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.149 -0.588 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.321 0.927 -9.762 1.00 0.00 H new ATOM 0 HG SER A 39 5.003 -0.105 -11.723 1.00 0.00 H new ATOM 568 N ILE A 40 5.115 1.866 -7.013 1.00 0.00 N ATOM 569 CA ILE A 40 4.439 2.811 -6.133 1.00 0.00 C ATOM 570 C ILE A 40 5.419 3.830 -5.563 1.00 0.00 C ATOM 571 O ILE A 40 5.115 5.021 -5.481 1.00 0.00 O ATOM 572 CB ILE A 40 3.731 2.090 -4.970 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.757 1.040 -5.510 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.001 3.094 -4.090 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.314 0.036 -4.469 1.00 0.00 C ATOM 0 H ILE A 40 5.143 0.908 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 40 3.693 3.327 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 40 4.483 1.584 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.879 1.544 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.229 0.510 -6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.506 2.569 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.716 3.808 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.257 3.625 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.625 -0.677 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.184 -0.495 -4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.813 0.556 -3.652 1.00 0.00 H new ATOM 587 N CYS A 41 6.597 3.355 -5.172 1.00 0.00 N ATOM 588 CA CYS A 41 7.624 4.225 -4.610 1.00 0.00 C ATOM 589 C CYS A 41 8.015 5.316 -5.602 1.00 0.00 C ATOM 590 O CYS A 41 8.269 6.458 -5.217 1.00 0.00 O ATOM 591 CB CYS A 41 8.856 3.409 -4.220 1.00 0.00 C ATOM 592 SG CYS A 41 10.377 4.378 -4.100 1.00 0.00 S ATOM 0 H CYS A 41 6.864 2.373 -5.234 1.00 0.00 H new ATOM 0 HA CYS A 41 7.215 4.699 -3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.669 2.926 -3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.000 2.616 -4.954 1.00 0.00 H new ATOM 0 HG CYS A 41 10.207 5.349 -3.253 1.00 0.00 H new ATOM 598 N LYS A 42 8.060 4.957 -6.880 1.00 0.00 N ATOM 599 CA LYS A 42 8.420 5.904 -7.929 1.00 0.00 C ATOM 600 C LYS A 42 7.212 6.737 -8.348 1.00 0.00 C ATOM 601 O LYS A 42 7.353 7.889 -8.758 1.00 0.00 O ATOM 602 CB LYS A 42 8.987 5.163 -9.142 1.00 0.00 C ATOM 603 CG LYS A 42 7.929 4.459 -9.973 1.00 0.00 C ATOM 604 CD LYS A 42 8.397 4.238 -11.401 1.00 0.00 C ATOM 605 CE LYS A 42 9.126 2.912 -11.552 1.00 0.00 C ATOM 606 NZ LYS A 42 9.039 2.387 -12.942 1.00 0.00 N ATOM 0 H LYS A 42 7.852 4.016 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 42 9.182 6.575 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.521 5.873 -9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.717 4.429 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.685 3.500 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.014 5.052 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.539 4.261 -12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.057 5.053 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.173 3.040 -11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.701 2.183 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.548 1.482 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.041 2.241 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.467 3.071 -13.599 1.00 0.00 H new ATOM 620 N ALA A 43 6.026 6.147 -8.240 1.00 0.00 N ATOM 621 CA ALA A 43 4.795 6.836 -8.604 1.00 0.00 C ATOM 622 C ALA A 43 4.451 7.921 -7.588 1.00 0.00 C ATOM 623 O ALA A 43 3.796 8.909 -7.918 1.00 0.00 O ATOM 624 CB ALA A 43 3.650 5.842 -8.724 1.00 0.00 C ATOM 0 H ALA A 43 5.892 5.194 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 43 4.949 7.316 -9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.736 6.370 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.886 5.106 -9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.506 5.336 -7.769 1.00 0.00 H new ATOM 630 N SER A 44 4.898 7.729 -6.351 1.00 0.00 N ATOM 631 CA SER A 44 4.633 8.689 -5.285 1.00 0.00 C ATOM 632 C SER A 44 5.875 9.524 -4.986 1.00 0.00 C ATOM 633 O SER A 44 5.779 10.713 -4.685 1.00 0.00 O ATOM 634 CB SER A 44 4.176 7.964 -4.018 1.00 0.00 C ATOM 635 OG SER A 44 4.974 6.820 -3.769 1.00 0.00 O ATOM 0 H SER A 44 5.445 6.918 -6.062 1.00 0.00 H new ATOM 0 HA SER A 44 3.839 9.356 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.232 8.643 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.132 7.668 -4.121 1.00 0.00 H new ATOM 0 HG SER A 44 4.731 6.108 -4.397 1.00 0.00 H new ATOM 641 N GLY A 45 7.041 8.892 -5.073 1.00 0.00 N ATOM 642 CA GLY A 45 8.285 9.590 -4.810 1.00 0.00 C ATOM 643 C GLY A 45 8.854 9.265 -3.443 1.00 0.00 C ATOM 644 O GLY A 45 9.977 9.657 -3.121 1.00 0.00 O ATOM 0 H GLY A 45 7.146 7.908 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.015 9.327 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.118 10.665 -4.885 1.00 0.00 H new ATOM 648 N ALA A 46 8.080 8.548 -2.636 1.00 0.00 N ATOM 649 CA ALA A 46 8.513 8.169 -1.297 1.00 0.00 C ATOM 650 C ALA A 46 8.950 6.709 -1.253 1.00 0.00 C ATOM 651 O ALA A 46 8.545 5.904 -2.092 1.00 0.00 O ATOM 652 CB ALA A 46 7.400 8.421 -0.291 1.00 0.00 C ATOM 0 H ALA A 46 7.148 8.217 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 46 9.372 8.785 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.738 8.133 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.139 9.479 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.524 7.831 -0.562 1.00 0.00 H new ATOM 658 N LYS A 47 9.777 6.373 -0.269 1.00 0.00 N ATOM 659 CA LYS A 47 10.269 5.009 -0.115 1.00 0.00 C ATOM 660 C LYS A 47 9.310 4.178 0.733 1.00 0.00 C ATOM 661 O LYS A 47 8.878 4.612 1.802 1.00 0.00 O ATOM 662 CB LYS A 47 11.659 5.015 0.525 1.00 0.00 C ATOM 663 CG LYS A 47 12.081 3.664 1.075 1.00 0.00 C ATOM 664 CD LYS A 47 12.488 2.712 -0.037 1.00 0.00 C ATOM 665 CE LYS A 47 12.156 1.270 0.315 1.00 0.00 C ATOM 666 NZ LYS A 47 13.058 0.309 -0.379 1.00 0.00 N ATOM 0 H LYS A 47 10.121 7.027 0.434 1.00 0.00 H new ATOM 0 HA LYS A 47 10.335 4.559 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.389 5.341 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.675 5.748 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.914 3.795 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.260 3.229 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.978 2.989 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.558 2.805 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.237 1.131 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.122 1.059 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.800 -0.663 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.962 0.424 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.043 0.494 -0.101 1.00 0.00 H new ATOM 680 N ILE A 48 8.985 2.984 0.252 1.00 0.00 N ATOM 681 CA ILE A 48 8.081 2.093 0.968 1.00 0.00 C ATOM 682 C ILE A 48 8.743 0.750 1.252 1.00 0.00 C ATOM 683 O ILE A 48 9.176 0.050 0.336 1.00 0.00 O ATOM 684 CB ILE A 48 6.781 1.853 0.175 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.127 3.187 -0.190 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.822 0.989 0.979 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.221 3.524 -1.662 1.00 0.00 C ATOM 0 H ILE A 48 9.334 2.611 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 48 7.838 2.583 1.911 1.00 0.00 H new ATOM 0 HB ILE A 48 7.027 1.326 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.077 3.159 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.597 3.983 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.909 0.829 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.290 0.028 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.579 1.490 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.737 4.483 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.269 3.584 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.725 2.748 -2.245 1.00 0.00 H new ATOM 699 N THR A 49 8.820 0.393 2.531 1.00 0.00 N ATOM 700 CA THR A 49 9.428 -0.867 2.938 1.00 0.00 C ATOM 701 C THR A 49 8.573 -1.582 3.977 1.00 0.00 C ATOM 702 O THR A 49 7.997 -0.950 4.863 1.00 0.00 O ATOM 703 CB THR A 49 10.840 -0.647 3.517 1.00 0.00 C ATOM 704 OG1 THR A 49 11.568 -1.879 3.513 1.00 0.00 O ATOM 705 CG2 THR A 49 10.764 -0.102 4.935 1.00 0.00 C ATOM 0 H THR A 49 8.468 0.960 3.303 1.00 0.00 H new ATOM 0 HA THR A 49 9.500 -1.486 2.044 1.00 0.00 H new ATOM 0 HB THR A 49 11.356 0.082 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.464 -1.731 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.772 0.045 5.323 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.234 0.851 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.231 -0.811 5.569 1.00 0.00 H new ATOM 713 N CYS A 50 8.492 -2.903 3.862 1.00 0.00 N ATOM 714 CA CYS A 50 7.705 -3.705 4.792 1.00 0.00 C ATOM 715 C CYS A 50 8.569 -4.206 5.944 1.00 0.00 C ATOM 716 O CYS A 50 9.761 -4.463 5.774 1.00 0.00 O ATOM 717 CB CYS A 50 7.068 -4.889 4.063 1.00 0.00 C ATOM 718 SG CYS A 50 8.168 -6.309 3.860 1.00 0.00 S ATOM 0 H CYS A 50 8.962 -3.441 3.134 1.00 0.00 H new ATOM 0 HA CYS A 50 6.917 -3.073 5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.181 -5.206 4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.733 -4.559 3.080 1.00 0.00 H new ATOM 0 HG CYS A 50 8.741 -6.580 4.995 1.00 0.00 H new ATOM 724 N ASP A 51 7.960 -4.340 7.118 1.00 0.00 N ATOM 725 CA ASP A 51 8.674 -4.810 8.299 1.00 0.00 C ATOM 726 C ASP A 51 9.675 -5.901 7.932 1.00 0.00 C ATOM 727 O ASP A 51 9.538 -6.563 6.903 1.00 0.00 O ATOM 728 CB ASP A 51 7.687 -5.336 9.342 1.00 0.00 C ATOM 729 CG ASP A 51 8.084 -4.963 10.756 1.00 0.00 C ATOM 730 OD1 ASP A 51 8.653 -3.867 10.943 1.00 0.00 O ATOM 731 OD2 ASP A 51 7.825 -5.766 11.677 1.00 0.00 O ATOM 0 H ASP A 51 6.975 -4.130 7.276 1.00 0.00 H new ATOM 0 HA ASP A 51 9.222 -3.967 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.694 -4.940 9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.621 -6.421 9.261 1.00 0.00 H new ATOM 736 N LYS A 52 10.681 -6.083 8.780 1.00 0.00 N ATOM 737 CA LYS A 52 11.707 -7.094 8.546 1.00 0.00 C ATOM 738 C LYS A 52 11.969 -7.905 9.811 1.00 0.00 C ATOM 739 O LYS A 52 11.935 -9.135 9.788 1.00 0.00 O ATOM 740 CB LYS A 52 13.003 -6.434 8.072 1.00 0.00 C ATOM 741 CG LYS A 52 13.332 -5.144 8.801 1.00 0.00 C ATOM 742 CD LYS A 52 14.349 -5.371 9.907 1.00 0.00 C ATOM 743 CE LYS A 52 15.767 -5.117 9.420 1.00 0.00 C ATOM 744 NZ LYS A 52 16.522 -6.386 9.222 1.00 0.00 N ATOM 0 H LYS A 52 10.809 -5.544 9.636 1.00 0.00 H new ATOM 0 HA LYS A 52 11.347 -7.770 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.827 -7.136 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.926 -6.228 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.722 -4.414 8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.421 -4.722 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.128 -4.712 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.267 -6.394 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.735 -4.563 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.292 -4.491 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.484 -6.170 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.575 -6.903 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.035 -6.973 8.515 1.00 0.00 H new ATOM 758 N GLU A 53 12.230 -7.207 10.913 1.00 0.00 N ATOM 759 CA GLU A 53 12.498 -7.866 12.186 1.00 0.00 C ATOM 760 C GLU A 53 11.665 -9.136 12.328 1.00 0.00 C ATOM 761 O GLU A 53 12.097 -10.107 12.949 1.00 0.00 O ATOM 762 CB GLU A 53 12.199 -6.916 13.348 1.00 0.00 C ATOM 763 CG GLU A 53 13.417 -6.148 13.834 1.00 0.00 C ATOM 764 CD GLU A 53 13.050 -4.851 14.530 1.00 0.00 C ATOM 765 OE1 GLU A 53 12.077 -4.199 14.094 1.00 0.00 O ATOM 766 OE2 GLU A 53 13.733 -4.489 15.510 1.00 0.00 O ATOM 0 H GLU A 53 12.261 -6.188 10.949 1.00 0.00 H new ATOM 0 HA GLU A 53 13.553 -8.140 12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.432 -6.206 13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.786 -7.489 14.178 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.987 -6.775 14.519 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.066 -5.930 12.986 1.00 0.00 H new ATOM 773 N SER A 54 10.470 -9.122 11.747 1.00 0.00 N ATOM 774 CA SER A 54 9.575 -10.271 11.812 1.00 0.00 C ATOM 775 C SER A 54 9.382 -10.888 10.430 1.00 0.00 C ATOM 776 O SER A 54 8.550 -10.433 9.646 1.00 0.00 O ATOM 777 CB SER A 54 8.221 -9.858 12.392 1.00 0.00 C ATOM 778 OG SER A 54 7.647 -8.800 11.643 1.00 0.00 O ATOM 0 H SER A 54 10.099 -8.328 11.226 1.00 0.00 H new ATOM 0 HA SER A 54 10.029 -11.017 12.464 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.546 -10.714 12.394 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.346 -9.548 13.429 1.00 0.00 H new ATOM 0 HG SER A 54 7.767 -8.974 10.686 1.00 0.00 H new ATOM 784 N GLU A 55 10.158 -11.928 10.139 1.00 0.00 N ATOM 785 CA GLU A 55 10.074 -12.608 8.852 1.00 0.00 C ATOM 786 C GLU A 55 8.677 -13.177 8.629 1.00 0.00 C ATOM 787 O GLU A 55 7.806 -13.074 9.492 1.00 0.00 O ATOM 788 CB GLU A 55 11.113 -13.728 8.772 1.00 0.00 C ATOM 789 CG GLU A 55 12.514 -13.237 8.449 1.00 0.00 C ATOM 790 CD GLU A 55 13.442 -13.291 9.646 1.00 0.00 C ATOM 791 OE1 GLU A 55 14.048 -14.358 9.879 1.00 0.00 O ATOM 792 OE2 GLU A 55 13.563 -12.266 10.349 1.00 0.00 O ATOM 0 H GLU A 55 10.852 -12.318 10.777 1.00 0.00 H new ATOM 0 HA GLU A 55 10.279 -11.877 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.134 -14.261 9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.804 -14.445 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.930 -13.842 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.460 -12.212 8.082 1.00 0.00 H new ATOM 799 N GLY A 56 8.469 -13.780 7.461 1.00 0.00 N ATOM 800 CA GLY A 56 7.176 -14.357 7.143 1.00 0.00 C ATOM 801 C GLY A 56 7.040 -15.784 7.639 1.00 0.00 C ATOM 802 O GLY A 56 6.617 -16.669 6.896 1.00 0.00 O ATOM 0 H GLY A 56 9.173 -13.879 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.390 -13.745 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.027 -14.335 6.063 1.00 0.00 H new ATOM 806 N THR A 57 7.403 -16.009 8.898 1.00 0.00 N ATOM 807 CA THR A 57 7.323 -17.337 9.491 1.00 0.00 C ATOM 808 C THR A 57 5.882 -17.835 9.531 1.00 0.00 C ATOM 809 O THR A 57 5.542 -18.838 8.902 1.00 0.00 O ATOM 810 CB THR A 57 7.899 -17.352 10.919 1.00 0.00 C ATOM 811 OG1 THR A 57 9.288 -17.006 10.890 1.00 0.00 O ATOM 812 CG2 THR A 57 7.725 -18.721 11.560 1.00 0.00 C ATOM 0 H THR A 57 7.756 -15.287 9.527 1.00 0.00 H new ATOM 0 HA THR A 57 7.917 -18.000 8.862 1.00 0.00 H new ATOM 0 HB THR A 57 7.354 -16.619 11.514 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.647 -17.016 11.802 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.140 -18.706 12.568 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.665 -18.968 11.608 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.246 -19.471 10.964 1.00 0.00 H new ATOM 820 N LEU A 58 5.037 -17.128 10.275 1.00 0.00 N ATOM 821 CA LEU A 58 3.632 -17.498 10.397 1.00 0.00 C ATOM 822 C LEU A 58 2.816 -16.349 10.982 1.00 0.00 C ATOM 823 O LEU A 58 1.758 -16.565 11.575 1.00 0.00 O ATOM 824 CB LEU A 58 3.486 -18.741 11.276 1.00 0.00 C ATOM 825 CG LEU A 58 2.136 -19.457 11.208 1.00 0.00 C ATOM 826 CD1 LEU A 58 2.151 -20.520 10.120 1.00 0.00 C ATOM 827 CD2 LEU A 58 1.791 -20.073 12.555 1.00 0.00 C ATOM 0 H LEU A 58 5.301 -16.296 10.802 1.00 0.00 H new ATOM 0 HA LEU A 58 3.252 -17.719 9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.265 -19.451 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.670 -18.453 12.311 1.00 0.00 H new ATOM 0 HG LEU A 58 1.368 -18.724 10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.183 -21.019 10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.352 -20.052 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.929 -21.252 10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.827 -20.578 12.488 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.560 -20.794 12.833 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.738 -19.289 13.311 1.00 0.00 H new ATOM 839 N LEU A 59 3.312 -15.129 10.809 1.00 0.00 N ATOM 840 CA LEU A 59 2.628 -13.946 11.317 1.00 0.00 C ATOM 841 C LEU A 59 1.170 -13.926 10.871 1.00 0.00 C ATOM 842 O LEU A 59 0.687 -14.874 10.250 1.00 0.00 O ATOM 843 CB LEU A 59 3.337 -12.678 10.838 1.00 0.00 C ATOM 844 CG LEU A 59 3.850 -12.698 9.397 1.00 0.00 C ATOM 845 CD1 LEU A 59 2.765 -13.192 8.453 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.331 -11.316 8.982 1.00 0.00 C ATOM 0 H LEU A 59 4.186 -14.933 10.321 1.00 0.00 H new ATOM 0 HA LEU A 59 2.655 -13.981 12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.650 -11.839 10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.181 -12.486 11.500 1.00 0.00 H new ATOM 0 HG LEU A 59 4.694 -13.386 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.147 -13.200 7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.468 -14.201 8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.902 -12.529 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.692 -11.350 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.506 -10.607 9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.140 -10.999 9.641 1.00 0.00 H new ATOM 858 N LEU A 60 0.474 -12.840 11.189 1.00 0.00 N ATOM 859 CA LEU A 60 -0.929 -12.695 10.819 1.00 0.00 C ATOM 860 C LEU A 60 -1.122 -11.528 9.857 1.00 0.00 C ATOM 861 O LEU A 60 -1.868 -11.629 8.883 1.00 0.00 O ATOM 862 CB LEU A 60 -1.788 -12.488 12.068 1.00 0.00 C ATOM 863 CG LEU A 60 -2.823 -13.575 12.360 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.799 -13.953 13.833 1.00 0.00 C ATOM 865 CD2 LEU A 60 -4.213 -13.112 11.949 1.00 0.00 C ATOM 0 H LEU A 60 0.859 -12.047 11.702 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.242 -13.611 10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.126 -12.404 12.930 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.309 -11.535 11.972 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.568 -14.459 11.775 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.542 -14.728 14.022 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.810 -14.327 14.097 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.028 -13.075 14.438 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.937 -13.898 12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.477 -12.213 12.507 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.222 -12.892 10.881 1.00 0.00 H new ATOM 877 N SER A 61 -0.441 -10.420 10.134 1.00 0.00 N ATOM 878 CA SER A 61 -0.537 -9.232 9.294 1.00 0.00 C ATOM 879 C SER A 61 0.843 -8.628 9.047 1.00 0.00 C ATOM 880 O SER A 61 1.727 -8.704 9.900 1.00 0.00 O ATOM 881 CB SER A 61 -1.451 -8.194 9.946 1.00 0.00 C ATOM 882 OG SER A 61 -1.297 -8.191 11.354 1.00 0.00 O ATOM 0 H SER A 61 0.184 -10.321 10.934 1.00 0.00 H new ATOM 0 HA SER A 61 -0.962 -9.528 8.335 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.223 -7.204 9.550 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.489 -8.408 9.691 1.00 0.00 H new ATOM 0 HG SER A 61 -1.891 -7.518 11.747 1.00 0.00 H new ATOM 888 N ARG A 62 1.017 -8.030 7.873 1.00 0.00 N ATOM 889 CA ARG A 62 2.289 -7.415 7.511 1.00 0.00 C ATOM 890 C ARG A 62 2.285 -5.926 7.845 1.00 0.00 C ATOM 891 O ARG A 62 1.248 -5.357 8.187 1.00 0.00 O ATOM 892 CB ARG A 62 2.570 -7.613 6.021 1.00 0.00 C ATOM 893 CG ARG A 62 3.543 -8.744 5.730 1.00 0.00 C ATOM 894 CD ARG A 62 4.963 -8.227 5.562 1.00 0.00 C ATOM 895 NE ARG A 62 5.401 -8.269 4.170 1.00 0.00 N ATOM 896 CZ ARG A 62 5.555 -9.396 3.482 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.309 -10.565 4.055 1.00 0.00 N ATOM 898 NH2 ARG A 62 5.956 -9.352 2.217 1.00 0.00 N ATOM 0 H ARG A 62 0.294 -7.958 7.157 1.00 0.00 H new ATOM 0 HA ARG A 62 3.076 -7.899 8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.630 -7.812 5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.969 -6.686 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.513 -9.470 6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.235 -9.266 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.021 -7.202 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.640 -8.824 6.173 1.00 0.00 H new ATOM 0 HE ARG A 62 5.600 -7.386 3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.001 -10.602 5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.428 -11.428 3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.146 -8.453 1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.074 -10.217 1.689 1.00 0.00 H new ATOM 912 N LEU A 63 3.453 -5.301 7.744 1.00 0.00 N ATOM 913 CA LEU A 63 3.586 -3.877 8.036 1.00 0.00 C ATOM 914 C LEU A 63 4.326 -3.158 6.912 1.00 0.00 C ATOM 915 O LEU A 63 5.103 -3.769 6.178 1.00 0.00 O ATOM 916 CB LEU A 63 4.325 -3.675 9.361 1.00 0.00 C ATOM 917 CG LEU A 63 3.794 -2.559 10.262 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.452 -2.621 11.631 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.023 -1.199 9.618 1.00 0.00 C ATOM 0 H LEU A 63 4.321 -5.757 7.462 1.00 0.00 H new ATOM 0 HA LEU A 63 2.585 -3.452 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.293 -4.611 9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.373 -3.470 9.142 1.00 0.00 H new ATOM 0 HG LEU A 63 2.721 -2.701 10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.062 -1.820 12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.236 -3.583 12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.530 -2.505 11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.639 -0.417 10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.091 -1.047 9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.504 -1.158 8.661 1.00 0.00 H new ATOM 931 N ILE A 64 4.082 -1.858 6.788 1.00 0.00 N ATOM 932 CA ILE A 64 4.727 -1.055 5.757 1.00 0.00 C ATOM 933 C ILE A 64 5.327 0.217 6.345 1.00 0.00 C ATOM 934 O ILE A 64 4.858 0.725 7.364 1.00 0.00 O ATOM 935 CB ILE A 64 3.739 -0.673 4.639 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.280 -1.924 3.885 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.378 0.323 3.684 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.352 -2.527 3.006 1.00 0.00 C ATOM 0 H ILE A 64 3.442 -1.338 7.389 1.00 0.00 H new ATOM 0 HA ILE A 64 5.523 -1.668 5.334 1.00 0.00 H new ATOM 0 HB ILE A 64 2.866 -0.203 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.949 -2.672 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.417 -1.671 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.667 0.583 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.659 1.223 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.266 -0.122 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.956 -3.409 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.666 -1.795 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.207 -2.812 3.619 1.00 0.00 H new ATOM 950 N LYS A 65 6.369 0.729 5.697 1.00 0.00 N ATOM 951 CA LYS A 65 7.033 1.943 6.153 1.00 0.00 C ATOM 952 C LYS A 65 7.174 2.947 5.013 1.00 0.00 C ATOM 953 O LYS A 65 7.952 2.738 4.083 1.00 0.00 O ATOM 954 CB LYS A 65 8.412 1.611 6.726 1.00 0.00 C ATOM 955 CG LYS A 65 8.458 1.619 8.245 1.00 0.00 C ATOM 956 CD LYS A 65 9.791 1.110 8.766 1.00 0.00 C ATOM 957 CE LYS A 65 9.690 -0.334 9.238 1.00 0.00 C ATOM 958 NZ LYS A 65 10.952 -1.086 8.996 1.00 0.00 N ATOM 0 H LYS A 65 6.771 0.320 4.853 1.00 0.00 H new ATOM 0 HA LYS A 65 6.419 2.390 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.718 0.629 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.137 2.330 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.287 2.632 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.652 0.999 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.543 1.186 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.126 1.741 9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.455 -0.353 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.868 -0.828 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.843 -2.064 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.164 -1.090 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.732 -0.629 9.510 1.00 0.00 H new ATOM 972 N ILE A 66 6.418 4.037 5.094 1.00 0.00 N ATOM 973 CA ILE A 66 6.461 5.074 4.070 1.00 0.00 C ATOM 974 C ILE A 66 7.304 6.260 4.524 1.00 0.00 C ATOM 975 O ILE A 66 7.076 6.824 5.594 1.00 0.00 O ATOM 976 CB ILE A 66 5.048 5.570 3.712 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.147 4.390 3.341 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.112 6.573 2.570 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.772 4.459 3.968 1.00 0.00 C ATOM 0 H ILE A 66 5.769 4.225 5.858 1.00 0.00 H new ATOM 0 HA ILE A 66 6.915 4.626 3.186 1.00 0.00 H new ATOM 0 HB ILE A 66 4.623 6.067 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.041 4.351 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.631 3.463 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.105 6.914 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.722 7.425 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.554 6.099 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.188 3.591 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.867 4.467 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.268 5.369 3.641 1.00 0.00 H new ATOM 991 N SER A 67 8.280 6.635 3.703 1.00 0.00 N ATOM 992 CA SER A 67 9.159 7.753 4.020 1.00 0.00 C ATOM 993 C SER A 67 9.279 8.705 2.833 1.00 0.00 C ATOM 994 O SER A 67 9.219 8.284 1.678 1.00 0.00 O ATOM 995 CB SER A 67 10.545 7.243 4.421 1.00 0.00 C ATOM 996 OG SER A 67 10.977 6.210 3.553 1.00 0.00 O ATOM 0 H SER A 67 8.481 6.180 2.813 1.00 0.00 H new ATOM 0 HA SER A 67 8.724 8.298 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.260 8.065 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.518 6.874 5.446 1.00 0.00 H new ATOM 0 HG SER A 67 11.865 5.902 3.828 1.00 0.00 H new ATOM 1002 N GLY A 68 9.448 9.991 3.128 1.00 0.00 N ATOM 1003 CA GLY A 68 9.573 10.982 2.076 1.00 0.00 C ATOM 1004 C GLY A 68 8.981 12.321 2.467 1.00 0.00 C ATOM 1005 O GLY A 68 8.730 12.577 3.646 1.00 0.00 O ATOM 0 H GLY A 68 9.500 10.363 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.626 11.113 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.076 10.617 1.177 1.00 0.00 H new ATOM 1009 N THR A 69 8.756 13.180 1.477 1.00 0.00 N ATOM 1010 CA THR A 69 8.192 14.500 1.725 1.00 0.00 C ATOM 1011 C THR A 69 6.687 14.421 1.958 1.00 0.00 C ATOM 1012 O THR A 69 6.005 13.575 1.379 1.00 0.00 O ATOM 1013 CB THR A 69 8.467 15.458 0.549 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.414 14.741 -0.689 1.00 0.00 O ATOM 1015 CG2 THR A 69 9.829 16.120 0.700 1.00 0.00 C ATOM 0 H THR A 69 8.956 12.984 0.496 1.00 0.00 H new ATOM 0 HA THR A 69 8.676 14.887 2.622 1.00 0.00 H new ATOM 0 HB THR A 69 7.701 16.233 0.552 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.588 15.357 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.002 16.792 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.856 16.688 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.605 15.355 0.719 1.00 0.00 H new ATOM 1023 N GLN A 70 6.178 15.306 2.808 1.00 0.00 N ATOM 1024 CA GLN A 70 4.753 15.335 3.117 1.00 0.00 C ATOM 1025 C GLN A 70 3.919 15.078 1.867 1.00 0.00 C ATOM 1026 O GLN A 70 2.796 14.580 1.947 1.00 0.00 O ATOM 1027 CB GLN A 70 4.370 16.682 3.731 1.00 0.00 C ATOM 1028 CG GLN A 70 3.105 16.630 4.574 1.00 0.00 C ATOM 1029 CD GLN A 70 3.362 16.126 5.980 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.239 16.630 6.682 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.595 15.127 6.401 1.00 0.00 N ATOM 0 H GLN A 70 6.730 16.012 3.295 1.00 0.00 H new ATOM 0 HA GLN A 70 4.548 14.543 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.194 17.037 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.234 17.411 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.665 17.626 4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.375 15.983 4.088 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.880 14.739 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.721 14.748 7.339 1.00 0.00 H new ATOM 1040 N LYS A 71 4.476 15.420 0.709 1.00 0.00 N ATOM 1041 CA LYS A 71 3.785 15.226 -0.560 1.00 0.00 C ATOM 1042 C LYS A 71 3.722 13.746 -0.924 1.00 0.00 C ATOM 1043 O LYS A 71 2.668 13.235 -1.300 1.00 0.00 O ATOM 1044 CB LYS A 71 4.489 16.007 -1.672 1.00 0.00 C ATOM 1045 CG LYS A 71 4.212 17.500 -1.636 1.00 0.00 C ATOM 1046 CD LYS A 71 2.727 17.795 -1.768 1.00 0.00 C ATOM 1047 CE LYS A 71 2.481 19.236 -2.186 1.00 0.00 C ATOM 1048 NZ LYS A 71 2.942 19.497 -3.578 1.00 0.00 N ATOM 0 H LYS A 71 5.405 15.833 0.624 1.00 0.00 H new ATOM 0 HA LYS A 71 2.767 15.599 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.564 15.843 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.175 15.611 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.585 17.918 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.755 17.991 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.285 17.121 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.230 17.601 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.417 19.460 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.999 19.906 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.459 20.339 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.969 19.659 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.720 18.676 -4.177 1.00 0.00 H new ATOM 1062 N GLU A 72 4.858 13.065 -0.810 1.00 0.00 N ATOM 1063 CA GLU A 72 4.930 11.643 -1.127 1.00 0.00 C ATOM 1064 C GLU A 72 4.261 10.808 -0.040 1.00 0.00 C ATOM 1065 O GLU A 72 3.213 10.201 -0.263 1.00 0.00 O ATOM 1066 CB GLU A 72 6.388 11.209 -1.294 1.00 0.00 C ATOM 1067 CG GLU A 72 7.198 12.127 -2.193 1.00 0.00 C ATOM 1068 CD GLU A 72 8.675 12.125 -1.851 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.036 11.592 -0.781 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.470 12.655 -2.654 1.00 0.00 O ATOM 0 H GLU A 72 5.740 13.474 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 72 4.399 11.479 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.860 11.167 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.413 10.199 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.069 11.819 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.811 13.143 -2.111 1.00 0.00 H new ATOM 1077 N VAL A 73 4.872 10.782 1.140 1.00 0.00 N ATOM 1078 CA VAL A 73 4.336 10.023 2.263 1.00 0.00 C ATOM 1079 C VAL A 73 2.816 10.120 2.316 1.00 0.00 C ATOM 1080 O VAL A 73 2.141 9.206 2.788 1.00 0.00 O ATOM 1081 CB VAL A 73 4.918 10.515 3.602 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.364 9.697 4.758 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.437 10.456 3.576 1.00 0.00 C ATOM 0 H VAL A 73 5.740 11.279 1.343 1.00 0.00 H new ATOM 0 HA VAL A 73 4.626 8.983 2.110 1.00 0.00 H new ATOM 0 HB VAL A 73 4.620 11.553 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.786 10.059 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.279 9.796 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.629 8.649 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.831 10.807 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.758 9.428 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.812 11.090 2.773 1.00 0.00 H new ATOM 1093 N ALA A 74 2.282 11.236 1.829 1.00 0.00 N ATOM 1094 CA ALA A 74 0.840 11.452 1.818 1.00 0.00 C ATOM 1095 C ALA A 74 0.202 10.831 0.581 1.00 0.00 C ATOM 1096 O ALA A 74 -0.882 10.252 0.655 1.00 0.00 O ATOM 1097 CB ALA A 74 0.530 12.940 1.884 1.00 0.00 C ATOM 0 H ALA A 74 2.826 12.004 1.437 1.00 0.00 H new ATOM 0 HA ALA A 74 0.417 10.964 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.550 13.087 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.946 13.358 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.972 13.442 1.023 1.00 0.00 H new ATOM 1103 N ALA A 75 0.880 10.955 -0.555 1.00 0.00 N ATOM 1104 CA ALA A 75 0.378 10.404 -1.808 1.00 0.00 C ATOM 1105 C ALA A 75 0.576 8.893 -1.863 1.00 0.00 C ATOM 1106 O ALA A 75 -0.374 8.139 -2.068 1.00 0.00 O ATOM 1107 CB ALA A 75 1.064 11.072 -2.991 1.00 0.00 C ATOM 0 H ALA A 75 1.778 11.432 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.692 10.605 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.679 10.651 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.866 12.144 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.139 10.901 -2.933 1.00 0.00 H new ATOM 1113 N ALA A 76 1.818 8.458 -1.678 1.00 0.00 N ATOM 1114 CA ALA A 76 2.141 7.037 -1.705 1.00 0.00 C ATOM 1115 C ALA A 76 1.194 6.241 -0.814 1.00 0.00 C ATOM 1116 O ALA A 76 0.788 5.131 -1.156 1.00 0.00 O ATOM 1117 CB ALA A 76 3.584 6.815 -1.276 1.00 0.00 C ATOM 0 H ALA A 76 2.617 9.069 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 76 2.019 6.682 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.811 5.749 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.251 7.344 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.725 7.192 -0.263 1.00 0.00 H new ATOM 1123 N LYS A 77 0.846 6.816 0.333 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.054 6.162 1.274 1.00 0.00 C ATOM 1125 C LYS A 77 -1.368 5.784 0.598 1.00 0.00 C ATOM 1126 O LYS A 77 -1.951 4.739 0.892 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.328 7.077 2.470 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.790 6.334 3.712 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.070 7.288 4.861 1.00 0.00 C ATOM 1130 CE LYS A 77 0.215 7.881 5.417 1.00 0.00 C ATOM 1131 NZ LYS A 77 0.195 9.370 5.392 1.00 0.00 N ATOM 0 H LYS A 77 1.174 7.734 0.632 1.00 0.00 H new ATOM 0 HA LYS A 77 0.429 5.250 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.579 7.633 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.087 7.808 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.691 5.765 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.027 5.616 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.724 8.090 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.601 6.760 5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.360 7.537 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.063 7.519 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.758 9.738 6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.599 9.708 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.786 9.706 5.478 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.829 6.639 -0.309 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.074 6.394 -1.028 1.00 0.00 C ATOM 1147 C HIS A 78 -2.891 5.294 -2.070 1.00 0.00 C ATOM 1148 O HIS A 78 -3.792 4.486 -2.300 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.559 7.677 -1.704 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.983 7.610 -2.164 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -6.041 8.070 -1.409 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.521 7.133 -3.311 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -7.167 7.879 -2.071 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.880 7.313 -3.229 1.00 0.00 N ATOM 0 H HIS A 78 -1.359 7.508 -0.564 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.823 6.067 -0.307 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.449 8.509 -1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.919 7.891 -2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.982 6.693 -4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.156 8.141 -1.724 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.557 7.052 -3.946 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.721 5.270 -2.698 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.420 4.270 -3.717 1.00 0.00 C ATOM 1164 C LEU A 79 -1.372 2.871 -3.109 1.00 0.00 C ATOM 1165 O LEU A 79 -1.888 1.914 -3.689 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.086 4.590 -4.395 1.00 0.00 C ATOM 1167 CG LEU A 79 0.012 5.959 -5.068 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.430 6.212 -5.558 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.977 6.060 -6.220 1.00 0.00 C ATOM 0 H LEU A 79 -0.965 5.931 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.215 4.295 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.705 4.517 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.111 3.824 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.239 6.723 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.481 7.191 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.118 6.183 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.709 5.443 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.893 7.041 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.757 5.287 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.990 5.924 -5.843 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.752 2.761 -1.939 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.640 1.480 -1.253 1.00 0.00 C ATOM 1183 C ILE A 80 -2.015 0.871 -0.997 1.00 0.00 C ATOM 1184 O ILE A 80 -2.215 -0.332 -1.168 1.00 0.00 O ATOM 1185 CB ILE A 80 0.103 1.624 0.088 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.500 2.205 -0.137 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.190 0.278 0.792 1.00 0.00 C ATOM 1188 CD1 ILE A 80 1.938 3.164 0.948 1.00 0.00 C ATOM 0 H ILE A 80 -0.320 3.543 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.070 0.820 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.456 2.310 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.219 1.388 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.520 2.721 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.718 0.396 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.815 -0.099 0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.730 -0.428 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.937 3.536 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.241 4.001 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.951 2.647 1.907 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.960 1.711 -0.589 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.318 1.256 -0.311 1.00 0.00 C ATOM 1202 C LEU A 81 -5.028 0.843 -1.597 1.00 0.00 C ATOM 1203 O LEU A 81 -5.800 -0.116 -1.610 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.113 2.359 0.390 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.710 2.662 1.834 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.269 4.006 2.274 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.185 1.554 2.763 1.00 0.00 C ATOM 0 H LEU A 81 -2.811 2.710 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.256 0.387 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.017 3.275 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.167 2.083 0.378 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.622 2.711 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.972 4.204 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.880 4.792 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.357 3.987 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.890 1.786 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.271 1.473 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.735 0.608 2.461 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.758 1.571 -2.676 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.370 1.277 -3.966 1.00 0.00 C ATOM 1221 C GLU A 82 -5.204 -0.197 -4.325 1.00 0.00 C ATOM 1222 O GLU A 82 -5.949 -0.737 -5.144 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.752 2.152 -5.059 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.068 3.630 -4.908 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.426 4.289 -6.225 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -5.911 3.580 -7.131 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.220 5.515 -6.350 1.00 0.00 O ATOM 0 H GLU A 82 -4.121 2.367 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.435 1.497 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.670 2.018 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.109 1.810 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.896 3.751 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.207 4.139 -4.474 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.221 -0.842 -3.708 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.955 -2.254 -3.959 1.00 0.00 C ATOM 1236 C LYS A 83 -4.763 -3.137 -3.015 1.00 0.00 C ATOM 1237 O LYS A 83 -5.350 -4.135 -3.432 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.462 -2.550 -3.798 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.644 -2.246 -5.041 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.375 -0.758 -5.182 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.964 -0.397 -6.601 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.144 -0.211 -7.489 1.00 0.00 N ATOM 0 H LYS A 83 -3.594 -0.409 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.255 -2.477 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.072 -1.965 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.335 -3.601 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.698 -2.785 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.174 -2.606 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.269 -0.198 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.588 -0.462 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.373 0.519 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.325 -1.182 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.822 0.034 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.695 -1.092 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.741 0.556 -7.118 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.793 -2.761 -1.740 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.532 -3.518 -0.737 1.00 0.00 C ATOM 1258 C VAL A 84 -6.992 -3.692 -1.145 1.00 0.00 C ATOM 1259 O VAL A 84 -7.572 -4.763 -0.968 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.475 -2.830 0.640 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.219 -3.652 1.680 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -4.031 -2.602 1.062 1.00 0.00 C ATOM 0 H VAL A 84 -4.314 -1.937 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.058 -4.497 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.965 -1.859 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.167 -3.150 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.262 -3.758 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.762 -4.638 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.009 -2.115 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.514 -3.560 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.533 -1.968 0.329 1.00 0.00 H new ATOM 1272 N SER A 85 -7.577 -2.632 -1.692 1.00 0.00 N ATOM 1273 CA SER A 85 -8.970 -2.667 -2.123 1.00 0.00 C ATOM 1274 C SER A 85 -9.145 -3.597 -3.320 1.00 0.00 C ATOM 1275 O SER A 85 -10.189 -4.230 -3.478 1.00 0.00 O ATOM 1276 CB SER A 85 -9.450 -1.259 -2.481 1.00 0.00 C ATOM 1277 OG SER A 85 -10.295 -0.736 -1.472 1.00 0.00 O ATOM 0 H SER A 85 -7.109 -1.739 -1.847 1.00 0.00 H new ATOM 0 HA SER A 85 -9.571 -3.049 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.591 -0.602 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.985 -1.284 -3.430 1.00 0.00 H new ATOM 0 HG SER A 85 -10.587 0.165 -1.724 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.117 -3.671 -4.158 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.158 -4.523 -5.342 1.00 0.00 C ATOM 1285 C GLU A 86 -8.323 -5.989 -4.952 1.00 0.00 C ATOM 1286 O GLU A 86 -9.365 -6.596 -5.201 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.883 -4.344 -6.170 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.010 -3.295 -7.261 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.224 -3.652 -8.508 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -6.722 -4.472 -9.307 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.113 -3.112 -8.684 1.00 0.00 O ATOM 0 H GLU A 86 -7.246 -3.153 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.018 -4.226 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.064 -4.068 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.618 -5.299 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.061 -3.172 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.662 -2.335 -6.879 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.287 -6.552 -4.338 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.316 -7.946 -3.913 1.00 0.00 C ATOM 1300 C ASP A 87 -8.548 -8.228 -3.057 1.00 0.00 C ATOM 1301 O ASP A 87 -9.102 -9.326 -3.094 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.047 -8.290 -3.131 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.685 -9.759 -3.229 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.589 -10.605 -3.066 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.499 -10.062 -3.471 1.00 0.00 O ATOM 0 H ASP A 87 -6.417 -6.064 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.364 -8.571 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.219 -7.689 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.186 -8.022 -2.084 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.968 -7.230 -2.288 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.133 -7.372 -1.422 1.00 0.00 C ATOM 1312 C GLU A 88 -11.360 -7.793 -2.225 1.00 0.00 C ATOM 1313 O GLU A 88 -12.166 -8.602 -1.768 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.415 -6.059 -0.689 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.880 -5.858 -0.341 1.00 0.00 C ATOM 1316 CD GLU A 88 -12.147 -4.517 0.314 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.623 -3.499 -0.183 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.879 -4.486 1.325 1.00 0.00 O ATOM 0 H GLU A 88 -8.520 -6.315 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.916 -8.149 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.826 -6.031 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.080 -5.227 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.479 -5.941 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.203 -6.655 0.328 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.495 -7.236 -3.425 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.624 -7.552 -4.292 1.00 0.00 C ATOM 1327 C GLU A 89 -12.272 -8.683 -5.254 1.00 0.00 C ATOM 1328 O GLU A 89 -12.992 -9.677 -5.352 1.00 0.00 O ATOM 1329 CB GLU A 89 -13.053 -6.313 -5.079 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.443 -5.814 -4.719 1.00 0.00 C ATOM 1331 CD GLU A 89 -15.034 -4.912 -5.786 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -14.747 -5.138 -6.979 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -15.784 -3.982 -5.426 1.00 0.00 O ATOM 0 H GLU A 89 -10.836 -6.564 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.452 -7.879 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.333 -5.514 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.023 -6.541 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.103 -6.668 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.397 -5.272 -3.775 1.00 0.00 H new ATOM 1340 N LEU A 90 -11.159 -8.523 -5.963 1.00 0.00 N ATOM 1341 CA LEU A 90 -10.710 -9.530 -6.918 1.00 0.00 C ATOM 1342 C LEU A 90 -10.985 -10.937 -6.396 1.00 0.00 C ATOM 1343 O LEU A 90 -11.404 -11.817 -7.147 1.00 0.00 O ATOM 1344 CB LEU A 90 -9.217 -9.362 -7.202 1.00 0.00 C ATOM 1345 CG LEU A 90 -8.303 -10.465 -6.666 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -8.566 -11.775 -7.391 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -6.842 -10.060 -6.804 1.00 0.00 C ATOM 0 H LEU A 90 -10.552 -7.706 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.268 -9.391 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.078 -9.295 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.892 -8.411 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.521 -10.610 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.907 -12.548 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.604 -12.072 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.376 -11.646 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.206 -10.856 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.610 -9.888 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.663 -9.146 -6.238 1.00 0.00 H new ATOM 1359 N ARG A 91 -10.747 -11.141 -5.104 1.00 0.00 N ATOM 1360 CA ARG A 91 -10.970 -12.440 -4.482 1.00 0.00 C ATOM 1361 C ARG A 91 -12.457 -12.677 -4.236 1.00 0.00 C ATOM 1362 O ARG A 91 -12.949 -13.797 -4.372 1.00 0.00 O ATOM 1363 CB ARG A 91 -10.202 -12.535 -3.162 1.00 0.00 C ATOM 1364 CG ARG A 91 -8.758 -12.983 -3.328 1.00 0.00 C ATOM 1365 CD ARG A 91 -8.671 -14.455 -3.697 1.00 0.00 C ATOM 1366 NE ARG A 91 -7.290 -14.930 -3.730 1.00 0.00 N ATOM 1367 CZ ARG A 91 -6.955 -16.216 -3.745 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -7.897 -17.149 -3.732 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -5.677 -16.569 -3.774 1.00 0.00 N ATOM 0 H ARG A 91 -10.400 -10.423 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.605 -13.209 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.217 -11.562 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.716 -13.233 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.277 -12.384 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.212 -12.806 -2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.240 -15.043 -2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.132 -14.612 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.542 -14.237 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.881 -16.880 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.638 -18.135 -3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.950 -15.853 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.421 -17.556 -3.785 1.00 0.00 H new ATOM 1383 N LYS A 92 -13.168 -11.616 -3.871 1.00 0.00 N ATOM 1384 CA LYS A 92 -14.598 -11.706 -3.607 1.00 0.00 C ATOM 1385 C LYS A 92 -15.364 -12.071 -4.874 1.00 0.00 C ATOM 1386 O LYS A 92 -16.297 -12.875 -4.838 1.00 0.00 O ATOM 1387 CB LYS A 92 -15.120 -10.381 -3.047 1.00 0.00 C ATOM 1388 CG LYS A 92 -14.583 -10.050 -1.665 1.00 0.00 C ATOM 1389 CD LYS A 92 -15.524 -10.531 -0.573 1.00 0.00 C ATOM 1390 CE LYS A 92 -15.461 -9.632 0.653 1.00 0.00 C ATOM 1391 NZ LYS A 92 -16.807 -9.417 1.253 1.00 0.00 N ATOM 0 H LYS A 92 -12.776 -10.682 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.756 -12.492 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.854 -9.577 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.209 -10.418 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.605 -10.512 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.442 -8.973 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.544 -10.556 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.265 -11.551 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.799 -10.077 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.029 -8.670 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.721 -8.800 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.432 -8.969 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.209 -10.332 1.541 1.00 0.00 H new ATOM 1405 N ARG A 93 -14.964 -11.477 -5.993 1.00 0.00 N ATOM 1406 CA ARG A 93 -15.614 -11.741 -7.272 1.00 0.00 C ATOM 1407 C ARG A 93 -15.580 -13.231 -7.602 1.00 0.00 C ATOM 1408 O ARG A 93 -16.394 -13.720 -8.386 1.00 0.00 O ATOM 1409 CB ARG A 93 -14.932 -10.946 -8.388 1.00 0.00 C ATOM 1410 CG ARG A 93 -14.975 -9.441 -8.177 1.00 0.00 C ATOM 1411 CD ARG A 93 -14.658 -8.690 -9.460 1.00 0.00 C ATOM 1412 NE ARG A 93 -13.232 -8.403 -9.587 1.00 0.00 N ATOM 1413 CZ ARG A 93 -12.666 -7.970 -10.710 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -13.403 -7.776 -11.795 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -11.361 -7.731 -10.747 1.00 0.00 N ATOM 0 H ARG A 93 -14.194 -10.810 -6.041 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.655 -11.427 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.892 -11.264 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.411 -11.185 -9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -15.963 -9.151 -7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.260 -9.160 -7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.987 -9.279 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -15.219 -7.756 -9.482 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.637 -8.542 -8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.406 -7.959 -11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.967 -7.444 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.792 -7.879 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.928 -7.399 -11.609 1.00 0.00 H new ATOM 1429 N ILE A 94 -14.636 -13.944 -6.997 1.00 0.00 N ATOM 1430 CA ILE A 94 -14.498 -15.377 -7.227 1.00 0.00 C ATOM 1431 C ILE A 94 -15.420 -16.172 -6.309 1.00 0.00 C ATOM 1432 O ILE A 94 -16.039 -17.149 -6.728 1.00 0.00 O ATOM 1433 CB ILE A 94 -13.047 -15.845 -7.009 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -12.067 -14.838 -7.614 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -12.839 -17.225 -7.614 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -12.292 -14.589 -9.090 1.00 0.00 C ATOM 0 H ILE A 94 -13.956 -13.553 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 94 -14.778 -15.559 -8.265 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.858 -15.908 -5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.152 -13.893 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.049 -15.199 -7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.809 -17.542 -7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.516 -17.936 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.043 -17.188 -8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.562 -13.865 -9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.179 -15.524 -9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.298 -14.198 -9.244 1.00 0.00 H new ATOM 1448 N ALA A 95 -15.508 -15.744 -5.053 1.00 0.00 N ATOM 1449 CA ALA A 95 -16.358 -16.413 -4.076 1.00 0.00 C ATOM 1450 C ALA A 95 -17.819 -16.388 -4.511 1.00 0.00 C ATOM 1451 O ALA A 95 -18.548 -17.364 -4.329 1.00 0.00 O ATOM 1452 CB ALA A 95 -16.202 -15.764 -2.709 1.00 0.00 C ATOM 0 H ALA A 95 -15.001 -14.937 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 95 -16.043 -17.454 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.842 -16.274 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.163 -15.839 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.488 -14.714 -2.770 1.00 0.00 H new ATOM 1458 N HIS A 96 -18.242 -15.268 -5.086 1.00 0.00 N ATOM 1459 CA HIS A 96 -19.618 -15.117 -5.548 1.00 0.00 C ATOM 1460 C HIS A 96 -19.763 -15.598 -6.989 1.00 0.00 C ATOM 1461 O HIS A 96 -18.785 -15.989 -7.625 1.00 0.00 O ATOM 1462 CB HIS A 96 -20.058 -13.657 -5.438 1.00 0.00 C ATOM 1463 CG HIS A 96 -19.647 -13.003 -4.154 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -19.273 -11.677 -4.071 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -19.555 -13.497 -2.898 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -18.967 -11.387 -2.819 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -19.130 -12.475 -2.087 1.00 0.00 N ATOM 0 H HIS A 96 -17.652 -14.451 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 96 -20.258 -15.730 -4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -19.638 -13.096 -6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -21.143 -13.605 -5.532 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -19.775 -14.509 -2.590 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -18.639 -10.424 -2.455 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -18.966 -12.544 -1.083 1.00 0.00 H new ATOM 1475 N SER A 97 -20.991 -15.566 -7.497 1.00 0.00 N ATOM 1476 CA SER A 97 -21.266 -16.001 -8.861 1.00 0.00 C ATOM 1477 C SER A 97 -21.258 -14.817 -9.822 1.00 0.00 C ATOM 1478 O SER A 97 -22.140 -13.960 -9.776 1.00 0.00 O ATOM 1479 CB SER A 97 -22.616 -16.719 -8.928 1.00 0.00 C ATOM 1480 OG SER A 97 -22.511 -17.939 -9.639 1.00 0.00 O ATOM 0 H SER A 97 -21.811 -15.243 -6.984 1.00 0.00 H new ATOM 0 HA SER A 97 -20.479 -16.693 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 97 -22.978 -16.913 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.350 -16.075 -9.412 1.00 0.00 H new ATOM 0 HG SER A 97 -23.387 -18.378 -9.666 1.00 0.00 H new ATOM 1486 N ALA A 98 -20.255 -14.777 -10.693 1.00 0.00 N ATOM 1487 CA ALA A 98 -20.131 -13.699 -11.667 1.00 0.00 C ATOM 1488 C ALA A 98 -18.955 -13.940 -12.605 1.00 0.00 C ATOM 1489 O ALA A 98 -18.278 -13.001 -13.022 1.00 0.00 O ATOM 1490 CB ALA A 98 -19.979 -12.362 -10.958 1.00 0.00 C ATOM 0 H ALA A 98 -19.516 -15.479 -10.744 1.00 0.00 H new ATOM 0 HA ALA A 98 -21.041 -13.678 -12.267 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -19.887 -11.566 -11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -20.854 -12.179 -10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -19.086 -12.381 -10.333 1.00 0.00 H new ATOM 1496 N SER A 99 -18.715 -15.206 -12.935 1.00 0.00 N ATOM 1497 CA SER A 99 -17.616 -15.571 -13.821 1.00 0.00 C ATOM 1498 C SER A 99 -17.472 -14.557 -14.953 1.00 0.00 C ATOM 1499 O SER A 99 -18.422 -13.856 -15.298 1.00 0.00 O ATOM 1500 CB SER A 99 -17.841 -16.969 -14.399 1.00 0.00 C ATOM 1501 OG SER A 99 -16.901 -17.893 -13.880 1.00 0.00 O ATOM 0 H SER A 99 -19.268 -15.996 -12.602 1.00 0.00 H new ATOM 0 HA SER A 99 -16.696 -15.572 -13.237 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.852 -17.304 -14.166 1.00 0.00 H new ATOM 0 HB3 SER A 99 -17.760 -16.934 -15.485 1.00 0.00 H new ATOM 0 HG SER A 99 -17.067 -18.779 -14.264 1.00 0.00 H new ATOM 1507 N GLY A 100 -16.275 -14.487 -15.528 1.00 0.00 N ATOM 1508 CA GLY A 100 -16.027 -13.558 -16.614 1.00 0.00 C ATOM 1509 C GLY A 100 -15.735 -12.155 -16.121 1.00 0.00 C ATOM 1510 O GLY A 100 -16.592 -11.271 -16.156 1.00 0.00 O ATOM 0 H GLY A 100 -15.473 -15.057 -15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -15.185 -13.914 -17.207 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -16.894 -13.535 -17.274 1.00 0.00 H new ATOM 1514 N PRO A 101 -14.500 -11.935 -15.647 1.00 0.00 N ATOM 1515 CA PRO A 101 -14.070 -10.630 -15.134 1.00 0.00 C ATOM 1516 C PRO A 101 -13.938 -9.588 -16.239 1.00 0.00 C ATOM 1517 O PRO A 101 -14.408 -8.459 -16.100 1.00 0.00 O ATOM 1518 CB PRO A 101 -12.703 -10.927 -14.512 1.00 0.00 C ATOM 1519 CG PRO A 101 -12.209 -12.128 -15.240 1.00 0.00 C ATOM 1520 CD PRO A 101 -13.428 -12.941 -15.576 1.00 0.00 C ATOM 0 HA PRO A 101 -14.791 -10.210 -14.432 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.022 -10.084 -14.631 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.788 -11.119 -13.442 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.670 -11.842 -16.143 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.516 -12.700 -14.623 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.310 -13.470 -16.522 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -13.632 -13.693 -14.814 1.00 0.00 H new ATOM 1528 N SER A 102 -13.295 -9.974 -17.337 1.00 0.00 N ATOM 1529 CA SER A 102 -13.098 -9.071 -18.465 1.00 0.00 C ATOM 1530 C SER A 102 -12.415 -7.782 -18.016 1.00 0.00 C ATOM 1531 O SER A 102 -13.032 -6.929 -17.377 1.00 0.00 O ATOM 1532 CB SER A 102 -14.438 -8.748 -19.127 1.00 0.00 C ATOM 1533 OG SER A 102 -14.249 -8.079 -20.362 1.00 0.00 O ATOM 0 H SER A 102 -12.902 -10.906 -17.469 1.00 0.00 H new ATOM 0 HA SER A 102 -12.454 -9.569 -19.190 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.998 -9.669 -19.291 1.00 0.00 H new ATOM 0 HB3 SER A 102 -15.036 -8.126 -18.461 1.00 0.00 H new ATOM 0 HG SER A 102 -15.121 -7.885 -20.766 1.00 0.00 H new ATOM 1539 N SER A 103 -11.137 -7.647 -18.356 1.00 0.00 N ATOM 1540 CA SER A 103 -10.368 -6.465 -17.985 1.00 0.00 C ATOM 1541 C SER A 103 -10.436 -5.407 -19.083 1.00 0.00 C ATOM 1542 O SER A 103 -10.882 -4.285 -18.852 1.00 0.00 O ATOM 1543 CB SER A 103 -8.911 -6.842 -17.714 1.00 0.00 C ATOM 1544 OG SER A 103 -8.286 -5.892 -16.870 1.00 0.00 O ATOM 0 H SER A 103 -10.612 -8.342 -18.888 1.00 0.00 H new ATOM 0 HA SER A 103 -10.803 -6.050 -17.076 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.867 -7.828 -17.251 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.368 -6.908 -18.657 1.00 0.00 H new ATOM 0 HG SER A 103 -7.356 -6.157 -16.711 1.00 0.00 H new ATOM 1550 N GLY A 104 -9.988 -5.776 -20.279 1.00 0.00 N ATOM 1551 CA GLY A 104 -10.005 -4.849 -21.395 1.00 0.00 C ATOM 1552 C GLY A 104 -11.106 -5.159 -22.390 1.00 0.00 C ATOM 1553 O GLY A 104 -11.029 -6.144 -23.126 1.00 0.00 O ATOM 0 H GLY A 104 -9.614 -6.700 -20.495 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.135 -3.834 -21.018 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.041 -4.879 -21.903 1.00 0.00 H new TER 1557 GLY A 104