USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=29 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 12 ASN :FLIP amide:sc= -1.38 F(o=-4.1!,f=-1.4) USER MOD Set 2.3: A 13 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0832 (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 :FLIP amide:sc= -1.79 F(o=-4.9!,f=-1.8) USER MOD Single : A 20 SER OG : rot 180:sc= -0.119 USER MOD Single : A 23 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.308 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.833 USER MOD Single : A 41 CYS SG : rot 56:sc= 0.466 USER MOD Single : A 44 SER OG : rot -68:sc= -1.29! 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 31:sc= 0.535 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 0.429 (180deg=0.336) USER MOD Single : A 54 SER OG : rot 120:sc= -0.496 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= -0.92 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 70 GLN : amide:sc= -0.069 K(o=-0.069,f=-4.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -131:sc= -0.917 (180deg=-2.93!) 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 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -33:sc= 0.982 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 -13.829 21.670 -9.011 1.00 0.00 N ATOM 2 CA GLY A 1 -13.682 20.721 -7.924 1.00 0.00 C ATOM 3 C GLY A 1 -12.928 21.302 -6.744 1.00 0.00 C ATOM 4 O GLY A 1 -12.507 22.459 -6.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.825 21.960 -9.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.238 22.505 -8.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.530 21.226 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.669 20.394 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.158 19.837 -8.286 1.00 0.00 H new ATOM 8 N SER A 2 -12.757 20.499 -5.699 1.00 0.00 N ATOM 9 CA SER A 2 -12.054 20.942 -4.501 1.00 0.00 C ATOM 10 C SER A 2 -10.695 20.257 -4.384 1.00 0.00 C ATOM 11 O SER A 2 -10.476 19.187 -4.952 1.00 0.00 O ATOM 12 CB SER A 2 -12.892 20.654 -3.254 1.00 0.00 C ATOM 13 OG SER A 2 -13.268 19.289 -3.198 1.00 0.00 O ATOM 0 H SER A 2 -13.096 19.538 -5.658 1.00 0.00 H new ATOM 0 HA SER A 2 -11.894 22.017 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.323 20.915 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.784 21.281 -3.258 1.00 0.00 H new ATOM 0 HG SER A 2 -13.801 19.129 -2.391 1.00 0.00 H new ATOM 19 N SER A 3 -9.786 20.882 -3.643 1.00 0.00 N ATOM 20 CA SER A 3 -8.448 20.335 -3.452 1.00 0.00 C ATOM 21 C SER A 3 -7.963 20.569 -2.025 1.00 0.00 C ATOM 22 O SER A 3 -8.348 21.543 -1.378 1.00 0.00 O ATOM 23 CB SER A 3 -7.470 20.967 -4.445 1.00 0.00 C ATOM 24 OG SER A 3 -7.202 20.090 -5.526 1.00 0.00 O ATOM 0 H SER A 3 -9.952 21.768 -3.165 1.00 0.00 H new ATOM 0 HA SER A 3 -8.493 19.261 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.885 21.901 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.539 21.216 -3.935 1.00 0.00 H new ATOM 0 HG SER A 3 -6.576 20.518 -6.147 1.00 0.00 H new ATOM 30 N GLY A 4 -7.114 19.668 -1.540 1.00 0.00 N ATOM 31 CA GLY A 4 -6.590 19.794 -0.192 1.00 0.00 C ATOM 32 C GLY A 4 -5.312 19.003 0.008 1.00 0.00 C ATOM 33 O GLY A 4 -4.604 18.699 -0.953 1.00 0.00 O ATOM 0 H GLY A 4 -6.780 18.854 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.401 20.845 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.341 19.452 0.520 1.00 0.00 H new ATOM 37 N SER A 5 -5.014 18.670 1.260 1.00 0.00 N ATOM 38 CA SER A 5 -3.809 17.914 1.584 1.00 0.00 C ATOM 39 C SER A 5 -2.590 18.830 1.630 1.00 0.00 C ATOM 40 O SER A 5 -1.968 19.106 0.604 1.00 0.00 O ATOM 41 CB SER A 5 -3.588 16.802 0.558 1.00 0.00 C ATOM 42 OG SER A 5 -2.843 15.734 1.116 1.00 0.00 O ATOM 0 H SER A 5 -5.590 18.912 2.066 1.00 0.00 H new ATOM 0 HA SER A 5 -3.943 17.467 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.551 16.432 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.062 17.202 -0.309 1.00 0.00 H new ATOM 0 HG SER A 5 -2.717 15.035 0.441 1.00 0.00 H new ATOM 48 N SER A 6 -2.254 19.298 2.827 1.00 0.00 N ATOM 49 CA SER A 6 -1.111 20.186 3.008 1.00 0.00 C ATOM 50 C SER A 6 -0.804 20.380 4.490 1.00 0.00 C ATOM 51 O SER A 6 -1.639 20.106 5.350 1.00 0.00 O ATOM 52 CB SER A 6 -1.381 21.540 2.349 1.00 0.00 C ATOM 53 OG SER A 6 -0.171 22.227 2.081 1.00 0.00 O ATOM 0 H SER A 6 -2.757 19.077 3.687 1.00 0.00 H new ATOM 0 HA SER A 6 -0.245 19.726 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.932 21.393 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.010 22.146 3.001 1.00 0.00 H new ATOM 0 HG SER A 6 -0.371 23.088 1.658 1.00 0.00 H new ATOM 59 N GLY A 7 0.403 20.858 4.779 1.00 0.00 N ATOM 60 CA GLY A 7 0.801 21.082 6.157 1.00 0.00 C ATOM 61 C GLY A 7 1.931 22.085 6.278 1.00 0.00 C ATOM 62 O GLY A 7 1.991 23.056 5.523 1.00 0.00 O ATOM 0 H GLY A 7 1.112 21.094 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.058 21.436 6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.110 20.136 6.601 1.00 0.00 H new ATOM 66 N ILE A 8 2.827 21.851 7.231 1.00 0.00 N ATOM 67 CA ILE A 8 3.960 22.743 7.449 1.00 0.00 C ATOM 68 C ILE A 8 5.263 22.098 6.988 1.00 0.00 C ATOM 69 O ILE A 8 5.683 21.070 7.522 1.00 0.00 O ATOM 70 CB ILE A 8 4.091 23.135 8.931 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.748 22.973 9.646 1.00 0.00 C ATOM 72 CG2 ILE A 8 4.595 24.565 9.059 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.844 23.094 11.150 1.00 0.00 C ATOM 0 H ILE A 8 2.791 21.052 7.864 1.00 0.00 H new ATOM 0 HA ILE A 8 3.773 23.641 6.860 1.00 0.00 H new ATOM 0 HB ILE A 8 4.815 22.471 9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.054 23.726 9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.327 22.000 9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.682 24.827 10.113 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.571 24.651 8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.893 25.243 8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.854 22.968 11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.512 22.324 11.535 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.235 24.077 11.412 1.00 0.00 H new ATOM 85 N LEU A 9 5.900 22.708 5.994 1.00 0.00 N ATOM 86 CA LEU A 9 7.157 22.195 5.462 1.00 0.00 C ATOM 87 C LEU A 9 7.759 23.169 4.453 1.00 0.00 C ATOM 88 O LEU A 9 7.186 24.222 4.171 1.00 0.00 O ATOM 89 CB LEU A 9 6.937 20.832 4.804 1.00 0.00 C ATOM 90 CG LEU A 9 5.492 20.488 4.439 1.00 0.00 C ATOM 91 CD1 LEU A 9 5.437 19.764 3.103 1.00 0.00 C ATOM 92 CD2 LEU A 9 4.853 19.645 5.532 1.00 0.00 C ATOM 0 H LEU A 9 5.566 23.558 5.541 1.00 0.00 H new ATOM 0 HA LEU A 9 7.855 22.082 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.540 20.787 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.314 20.061 5.476 1.00 0.00 H new ATOM 0 HG LEU A 9 4.929 21.417 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.401 19.527 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.855 20.403 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.015 18.842 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.825 19.409 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.417 18.720 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.858 20.200 6.470 1.00 0.00 H new ATOM 104 N THR A 10 8.917 22.809 3.909 1.00 0.00 N ATOM 105 CA THR A 10 9.596 23.648 2.930 1.00 0.00 C ATOM 106 C THR A 10 9.566 23.012 1.545 1.00 0.00 C ATOM 107 O THR A 10 10.311 23.415 0.652 1.00 0.00 O ATOM 108 CB THR A 10 11.060 23.908 3.332 1.00 0.00 C ATOM 109 OG1 THR A 10 11.298 23.423 4.658 1.00 0.00 O ATOM 110 CG2 THR A 10 11.384 25.393 3.265 1.00 0.00 C ATOM 0 H THR A 10 9.405 21.941 4.130 1.00 0.00 H new ATOM 0 HA THR A 10 9.061 24.597 2.902 1.00 0.00 H new ATOM 0 HB THR A 10 11.705 23.379 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.231 23.591 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.423 25.552 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.230 25.753 2.248 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.731 25.939 3.946 1.00 0.00 H new ATOM 118 N GLU A 11 8.702 22.016 1.374 1.00 0.00 N ATOM 119 CA GLU A 11 8.578 21.325 0.096 1.00 0.00 C ATOM 120 C GLU A 11 9.637 20.235 -0.038 1.00 0.00 C ATOM 121 O GLU A 11 9.786 19.627 -1.098 1.00 0.00 O ATOM 122 CB GLU A 11 8.701 22.318 -1.060 1.00 0.00 C ATOM 123 CG GLU A 11 8.156 23.699 -0.739 1.00 0.00 C ATOM 124 CD GLU A 11 7.088 24.147 -1.718 1.00 0.00 C ATOM 125 OE1 GLU A 11 6.130 23.378 -1.944 1.00 0.00 O ATOM 126 OE2 GLU A 11 7.210 25.266 -2.259 1.00 0.00 O ATOM 0 H GLU A 11 8.079 21.670 2.103 1.00 0.00 H new ATOM 0 HA GLU A 11 7.594 20.857 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.751 22.407 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.172 21.921 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.741 23.697 0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.974 24.419 -0.745 1.00 0.00 H new ATOM 133 N ASN A 12 10.369 19.993 1.044 1.00 0.00 N ATOM 134 CA ASN A 12 11.416 18.978 1.047 1.00 0.00 C ATOM 135 C ASN A 12 11.422 18.205 2.362 1.00 0.00 C ATOM 136 O ASN A 12 11.694 17.005 2.390 1.00 0.00 O ATOM 137 CB ASN A 12 12.785 19.625 0.818 1.00 0.00 C ATOM 138 CG ASN A 12 13.294 20.351 2.047 1.00 0.00 C ATOM 139 OD1 ASN A 12 12.520 21.319 2.526 1.00 0.00 O flip ATOM 140 ND2 ASN A 12 14.370 20.045 2.562 1.00 0.00 N flip ATOM 0 H ASN A 12 10.257 20.486 1.930 1.00 0.00 H new ATOM 0 HA ASN A 12 11.211 18.280 0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 12 13.503 18.857 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.718 20.327 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.932 19.295 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 12 14.699 20.542 3.390 1.00 0.00 H new ATOM 147 N THR A 13 11.115 18.902 3.452 1.00 0.00 N ATOM 148 CA THR A 13 11.085 18.283 4.772 1.00 0.00 C ATOM 149 C THR A 13 10.617 16.834 4.688 1.00 0.00 C ATOM 150 O THR A 13 9.510 16.539 4.238 1.00 0.00 O ATOM 151 CB THR A 13 10.160 19.054 5.732 1.00 0.00 C ATOM 152 OG1 THR A 13 10.469 20.452 5.693 1.00 0.00 O ATOM 153 CG2 THR A 13 10.307 18.538 7.156 1.00 0.00 C ATOM 0 H THR A 13 10.884 19.895 3.447 1.00 0.00 H new ATOM 0 HA THR A 13 12.104 18.312 5.159 1.00 0.00 H new ATOM 0 HB THR A 13 9.130 18.900 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.875 20.935 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.644 19.098 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.044 17.481 7.189 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.338 18.666 7.485 1.00 0.00 H new ATOM 161 N PRO A 14 11.478 15.907 5.133 1.00 0.00 N ATOM 162 CA PRO A 14 11.174 14.474 5.120 1.00 0.00 C ATOM 163 C PRO A 14 10.098 14.100 6.133 1.00 0.00 C ATOM 164 O PRO A 14 9.834 14.845 7.076 1.00 0.00 O ATOM 165 CB PRO A 14 12.510 13.824 5.494 1.00 0.00 C ATOM 166 CG PRO A 14 13.233 14.868 6.272 1.00 0.00 C ATOM 167 CD PRO A 14 12.815 16.188 5.683 1.00 0.00 C ATOM 0 HA PRO A 14 10.781 14.150 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.359 12.922 6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.071 13.532 4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.976 14.814 7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.312 14.732 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.782 16.973 6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.507 16.520 4.909 1.00 0.00 H new ATOM 175 N VAL A 15 9.479 12.940 5.932 1.00 0.00 N ATOM 176 CA VAL A 15 8.432 12.468 6.829 1.00 0.00 C ATOM 177 C VAL A 15 8.489 10.953 6.990 1.00 0.00 C ATOM 178 O VAL A 15 9.021 10.246 6.134 1.00 0.00 O ATOM 179 CB VAL A 15 7.034 12.865 6.319 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.020 12.826 7.453 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.074 14.245 5.677 1.00 0.00 C ATOM 0 H VAL A 15 9.685 12.311 5.156 1.00 0.00 H new ATOM 0 HA VAL A 15 8.606 12.941 7.795 1.00 0.00 H new ATOM 0 HB VAL A 15 6.725 12.145 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.038 13.109 7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.973 11.818 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.322 13.523 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.078 14.510 5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.405 14.979 6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.768 14.235 4.837 1.00 0.00 H new ATOM 191 N PHE A 16 7.937 10.459 8.094 1.00 0.00 N ATOM 192 CA PHE A 16 7.926 9.027 8.369 1.00 0.00 C ATOM 193 C PHE A 16 6.553 8.579 8.859 1.00 0.00 C ATOM 194 O PHE A 16 5.999 9.154 9.794 1.00 0.00 O ATOM 195 CB PHE A 16 8.992 8.678 9.409 1.00 0.00 C ATOM 196 CG PHE A 16 9.686 7.373 9.141 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.795 7.320 8.313 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.229 6.198 9.717 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.436 6.121 8.064 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.865 4.996 9.471 1.00 0.00 C ATOM 201 CZ PHE A 16 10.971 4.958 8.645 1.00 0.00 C ATOM 0 H PHE A 16 7.492 11.030 8.813 1.00 0.00 H new ATOM 0 HA PHE A 16 8.150 8.501 7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.734 9.476 9.439 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.528 8.638 10.394 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.163 8.227 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.366 6.222 10.366 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.299 6.094 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.497 4.087 9.924 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.471 4.020 8.454 1.00 0.00 H new ATOM 211 N GLU A 17 6.011 7.546 8.221 1.00 0.00 N ATOM 212 CA GLU A 17 4.701 7.022 8.591 1.00 0.00 C ATOM 213 C GLU A 17 4.668 5.502 8.457 1.00 0.00 C ATOM 214 O GLU A 17 5.315 4.932 7.580 1.00 0.00 O ATOM 215 CB GLU A 17 3.611 7.646 7.719 1.00 0.00 C ATOM 216 CG GLU A 17 2.340 7.983 8.482 1.00 0.00 C ATOM 217 CD GLU A 17 2.312 9.422 8.961 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.295 10.331 8.106 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.309 9.638 10.191 1.00 0.00 O ATOM 0 H GLU A 17 6.458 7.056 7.446 1.00 0.00 H new ATOM 0 HA GLU A 17 4.514 7.283 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.001 8.554 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.367 6.958 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.477 7.800 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.248 7.317 9.340 1.00 0.00 H new ATOM 226 N GLN A 18 3.908 4.853 9.335 1.00 0.00 N ATOM 227 CA GLN A 18 3.790 3.400 9.316 1.00 0.00 C ATOM 228 C GLN A 18 2.361 2.974 8.994 1.00 0.00 C ATOM 229 O GLN A 18 1.401 3.627 9.403 1.00 0.00 O ATOM 230 CB GLN A 18 4.218 2.814 10.662 1.00 0.00 C ATOM 231 CG GLN A 18 5.625 2.240 10.656 1.00 0.00 C ATOM 232 CD GLN A 18 5.765 1.026 11.553 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.347 -0.041 11.020 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 5.354 1.048 12.713 1.00 0.00 N flip ATOM 0 H GLN A 18 3.366 5.311 10.067 1.00 0.00 H new ATOM 0 HA GLN A 18 4.449 3.018 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.155 3.591 11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.516 2.030 10.947 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.897 1.967 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.328 3.008 10.979 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.913 1.890 13.082 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.455 0.224 13.306 1.00 0.00 H new ATOM 243 N LEU A 19 2.228 1.876 8.259 1.00 0.00 N ATOM 244 CA LEU A 19 0.916 1.362 7.881 1.00 0.00 C ATOM 245 C LEU A 19 0.876 -0.160 7.986 1.00 0.00 C ATOM 246 O LEU A 19 1.621 -0.859 7.300 1.00 0.00 O ATOM 247 CB LEU A 19 0.568 1.795 6.456 1.00 0.00 C ATOM 248 CG LEU A 19 -0.594 2.780 6.318 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.221 4.131 6.908 1.00 0.00 C ATOM 250 CD2 LEU A 19 -1.000 2.926 4.859 1.00 0.00 C ATOM 0 H LEU A 19 3.013 1.324 7.913 1.00 0.00 H new ATOM 0 HA LEU A 19 0.179 1.775 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.454 2.244 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.334 0.904 5.874 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.446 2.387 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.060 4.819 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.019 4.013 7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.646 4.531 6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.828 3.631 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.153 3.295 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.310 1.957 4.469 1.00 0.00 H new ATOM 262 N SER A 20 0.000 -0.664 8.850 1.00 0.00 N ATOM 263 CA SER A 20 -0.136 -2.103 9.046 1.00 0.00 C ATOM 264 C SER A 20 -1.133 -2.694 8.055 1.00 0.00 C ATOM 265 O SER A 20 -2.294 -2.287 8.008 1.00 0.00 O ATOM 266 CB SER A 20 -0.584 -2.402 10.479 1.00 0.00 C ATOM 267 OG SER A 20 -1.953 -2.763 10.520 1.00 0.00 O ATOM 0 H SER A 20 -0.625 -0.098 9.424 1.00 0.00 H new ATOM 0 HA SER A 20 0.837 -2.563 8.873 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.021 -3.210 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.417 -1.526 11.106 1.00 0.00 H new ATOM 0 HG SER A 20 -2.214 -2.950 11.446 1.00 0.00 H new ATOM 273 N VAL A 21 -0.671 -3.658 7.265 1.00 0.00 N ATOM 274 CA VAL A 21 -1.522 -4.308 6.274 1.00 0.00 C ATOM 275 C VAL A 21 -1.528 -5.821 6.463 1.00 0.00 C ATOM 276 O VAL A 21 -0.563 -6.415 6.946 1.00 0.00 O ATOM 277 CB VAL A 21 -1.065 -3.981 4.841 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.731 -2.503 4.710 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.129 -4.842 4.454 1.00 0.00 C ATOM 0 H VAL A 21 0.287 -4.006 7.292 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.531 -3.923 6.421 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.884 -4.205 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.410 -2.292 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.614 -1.908 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.071 -2.248 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.439 -4.598 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.953 -4.651 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.150 -5.895 4.505 1.00 0.00 H new ATOM 289 N PRO A 22 -2.639 -6.462 6.072 1.00 0.00 N ATOM 290 CA PRO A 22 -2.797 -7.915 6.188 1.00 0.00 C ATOM 291 C PRO A 22 -1.901 -8.673 5.214 1.00 0.00 C ATOM 292 O PRO A 22 -1.736 -8.270 4.064 1.00 0.00 O ATOM 293 CB PRO A 22 -4.272 -8.139 5.842 1.00 0.00 C ATOM 294 CG PRO A 22 -4.642 -6.978 4.986 1.00 0.00 C ATOM 295 CD PRO A 22 -3.827 -5.817 5.489 1.00 0.00 C ATOM 0 HA PRO A 22 -2.516 -8.279 7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.416 -9.082 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.887 -8.180 6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.426 -7.182 3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.709 -6.766 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.559 -5.135 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.373 -5.234 6.231 1.00 0.00 H new ATOM 303 N GLN A 23 -1.324 -9.775 5.686 1.00 0.00 N ATOM 304 CA GLN A 23 -0.445 -10.589 4.856 1.00 0.00 C ATOM 305 C GLN A 23 -1.222 -11.251 3.723 1.00 0.00 C ATOM 306 O GLN A 23 -0.636 -11.856 2.824 1.00 0.00 O ATOM 307 CB GLN A 23 0.249 -11.656 5.706 1.00 0.00 C ATOM 308 CG GLN A 23 -0.560 -12.935 5.855 1.00 0.00 C ATOM 309 CD GLN A 23 0.036 -14.096 5.081 1.00 0.00 C ATOM 310 OE1 GLN A 23 -0.615 -14.676 4.212 1.00 0.00 O ATOM 311 NE2 GLN A 23 1.279 -14.440 5.394 1.00 0.00 N ATOM 0 H GLN A 23 -1.450 -10.123 6.637 1.00 0.00 H new ATOM 0 HA GLN A 23 0.309 -9.934 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.213 -11.896 5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.451 -11.246 6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.622 -13.200 6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.579 -12.758 5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.781 -13.931 6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.732 -15.213 4.907 1.00 0.00 H new ATOM 320 N ARG A 24 -2.545 -11.133 3.773 1.00 0.00 N ATOM 321 CA ARG A 24 -3.404 -11.721 2.751 1.00 0.00 C ATOM 322 C ARG A 24 -3.624 -10.745 1.599 1.00 0.00 C ATOM 323 O ARG A 24 -3.913 -11.154 0.474 1.00 0.00 O ATOM 324 CB ARG A 24 -4.750 -12.125 3.357 1.00 0.00 C ATOM 325 CG ARG A 24 -5.670 -10.947 3.633 1.00 0.00 C ATOM 326 CD ARG A 24 -6.423 -11.124 4.943 1.00 0.00 C ATOM 327 NE ARG A 24 -7.749 -10.513 4.899 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.716 -10.914 4.080 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.507 -11.921 3.243 1.00 0.00 N ATOM 330 NH2 ARG A 24 -9.896 -10.308 4.099 1.00 0.00 N ATOM 0 H ARG A 24 -3.045 -10.636 4.510 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.908 -12.610 2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.251 -12.816 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.573 -12.663 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.085 -10.028 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.382 -10.840 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.521 -12.187 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.847 -10.681 5.755 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.943 -9.736 5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.602 -12.391 3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.252 -12.226 2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.061 -9.534 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.638 -10.616 3.470 1.00 0.00 H new ATOM 344 N SER A 25 -3.485 -9.455 1.888 1.00 0.00 N ATOM 345 CA SER A 25 -3.673 -8.422 0.876 1.00 0.00 C ATOM 346 C SER A 25 -2.342 -7.775 0.507 1.00 0.00 C ATOM 347 O SER A 25 -2.238 -7.068 -0.496 1.00 0.00 O ATOM 348 CB SER A 25 -4.648 -7.357 1.381 1.00 0.00 C ATOM 349 OG SER A 25 -5.708 -7.944 2.118 1.00 0.00 O ATOM 0 H SER A 25 -3.243 -9.101 2.813 1.00 0.00 H new ATOM 0 HA SER A 25 -4.088 -8.892 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.117 -6.642 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.053 -6.800 0.536 1.00 0.00 H new ATOM 0 HG SER A 25 -6.316 -7.242 2.431 1.00 0.00 H new ATOM 355 N VAL A 26 -1.324 -8.020 1.326 1.00 0.00 N ATOM 356 CA VAL A 26 0.001 -7.462 1.087 1.00 0.00 C ATOM 357 C VAL A 26 0.590 -7.986 -0.218 1.00 0.00 C ATOM 358 O VAL A 26 1.457 -7.353 -0.818 1.00 0.00 O ATOM 359 CB VAL A 26 0.966 -7.793 2.242 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.487 -9.217 2.112 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.116 -6.797 2.276 1.00 0.00 C ATOM 0 H VAL A 26 -1.392 -8.602 2.161 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.118 -6.381 1.021 1.00 0.00 H new ATOM 0 HB VAL A 26 0.420 -7.716 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.167 -9.432 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.650 -9.915 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.018 -9.325 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.788 -7.045 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.663 -6.840 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.722 -5.791 2.421 1.00 0.00 H new ATOM 371 N GLY A 27 0.113 -9.149 -0.652 1.00 0.00 N ATOM 372 CA GLY A 27 0.603 -9.739 -1.884 1.00 0.00 C ATOM 373 C GLY A 27 0.202 -8.941 -3.108 1.00 0.00 C ATOM 374 O GLY A 27 0.824 -9.057 -4.165 1.00 0.00 O ATOM 0 H GLY A 27 -0.604 -9.693 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.690 -9.812 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.219 -10.755 -1.975 1.00 0.00 H new ATOM 378 N ARG A 28 -0.841 -8.130 -2.969 1.00 0.00 N ATOM 379 CA ARG A 28 -1.326 -7.310 -4.073 1.00 0.00 C ATOM 380 C ARG A 28 -0.671 -5.933 -4.058 1.00 0.00 C ATOM 381 O ARG A 28 -0.582 -5.265 -5.089 1.00 0.00 O ATOM 382 CB ARG A 28 -2.848 -7.165 -3.999 1.00 0.00 C ATOM 383 CG ARG A 28 -3.468 -6.598 -5.265 1.00 0.00 C ATOM 384 CD ARG A 28 -4.133 -7.686 -6.094 1.00 0.00 C ATOM 385 NE ARG A 28 -3.293 -8.117 -7.208 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.344 -9.040 -7.098 1.00 0.00 C ATOM 387 NH1 ARG A 28 -2.118 -9.628 -5.931 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.621 -9.380 -8.158 1.00 0.00 N ATOM 0 H ARG A 28 -1.367 -8.023 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.060 -7.808 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.288 -8.141 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.102 -6.519 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.204 -5.838 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.699 -6.105 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.356 -8.542 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.084 -7.318 -6.479 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.443 -7.686 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.674 -9.372 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.389 -10.336 -5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.794 -8.932 -9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.893 -10.089 -8.072 1.00 0.00 H new ATOM 402 N ILE A 29 -0.214 -5.514 -2.883 1.00 0.00 N ATOM 403 CA ILE A 29 0.434 -4.216 -2.735 1.00 0.00 C ATOM 404 C ILE A 29 1.899 -4.282 -3.153 1.00 0.00 C ATOM 405 O ILE A 29 2.366 -3.459 -3.941 1.00 0.00 O ATOM 406 CB ILE A 29 0.349 -3.708 -1.283 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.094 -3.781 -0.778 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.877 -2.284 -1.188 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.200 -3.981 0.717 1.00 0.00 C ATOM 0 H ILE A 29 -0.280 -6.054 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.096 -3.522 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 29 0.968 -4.347 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.613 -2.862 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.607 -4.599 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.810 -1.939 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.917 -2.259 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.282 -1.632 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.250 -4.023 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.710 -4.914 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.716 -3.150 1.230 1.00 0.00 H new ATOM 421 N ILE A 30 2.616 -5.266 -2.623 1.00 0.00 N ATOM 422 CA ILE A 30 4.028 -5.440 -2.944 1.00 0.00 C ATOM 423 C ILE A 30 4.203 -6.133 -4.292 1.00 0.00 C ATOM 424 O ILE A 30 5.219 -5.958 -4.964 1.00 0.00 O ATOM 425 CB ILE A 30 4.755 -6.259 -1.861 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.977 -5.405 -0.611 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.080 -6.782 -2.394 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.044 -5.953 0.312 1.00 0.00 C ATOM 0 H ILE A 30 2.244 -5.955 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 30 4.467 -4.443 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 30 4.133 -7.112 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.254 -4.395 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.038 -5.327 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.582 -7.359 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.898 -7.420 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.711 -5.943 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.148 -5.298 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.759 -6.951 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.994 -6.005 -0.220 1.00 0.00 H new ATOM 440 N GLY A 31 3.203 -6.918 -4.682 1.00 0.00 N ATOM 441 CA GLY A 31 3.266 -7.624 -5.948 1.00 0.00 C ATOM 442 C GLY A 31 3.818 -9.028 -5.803 1.00 0.00 C ATOM 443 O GLY A 31 3.751 -9.620 -4.726 1.00 0.00 O ATOM 0 H GLY A 31 2.351 -7.077 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.268 -7.673 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.890 -7.062 -6.643 1.00 0.00 H new ATOM 447 N ARG A 32 4.363 -9.563 -6.891 1.00 0.00 N ATOM 448 CA ARG A 32 4.926 -10.908 -6.881 1.00 0.00 C ATOM 449 C ARG A 32 6.252 -10.937 -6.126 1.00 0.00 C ATOM 450 O ARG A 32 6.560 -11.901 -5.427 1.00 0.00 O ATOM 451 CB ARG A 32 5.130 -11.409 -8.312 1.00 0.00 C ATOM 452 CG ARG A 32 5.881 -10.431 -9.199 1.00 0.00 C ATOM 453 CD ARG A 32 6.266 -11.063 -10.526 1.00 0.00 C ATOM 454 NE ARG A 32 6.791 -10.080 -11.470 1.00 0.00 N ATOM 455 CZ ARG A 32 7.312 -10.400 -12.650 1.00 0.00 C ATOM 456 NH1 ARG A 32 7.376 -11.668 -13.028 1.00 0.00 N ATOM 457 NH2 ARG A 32 7.770 -9.447 -13.453 1.00 0.00 N ATOM 0 H ARG A 32 4.427 -9.086 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 32 4.223 -11.566 -6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.675 -12.352 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.157 -11.617 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.261 -9.553 -9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.779 -10.087 -8.685 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.014 -11.837 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.395 -11.553 -10.960 1.00 0.00 H new ATOM 0 HE ARG A 32 6.756 -9.094 -11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.025 -12.402 -12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.776 -11.910 -13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.722 -8.470 -13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.170 -9.692 -14.359 1.00 0.00 H new ATOM 471 N GLY A 33 7.035 -9.872 -6.274 1.00 0.00 N ATOM 472 CA GLY A 33 8.319 -9.796 -5.602 1.00 0.00 C ATOM 473 C GLY A 33 8.835 -8.375 -5.499 1.00 0.00 C ATOM 474 O GLY A 33 10.029 -8.154 -5.299 1.00 0.00 O ATOM 0 H GLY A 33 6.803 -9.061 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.228 -10.220 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.045 -10.405 -6.141 1.00 0.00 H new ATOM 478 N GLY A 34 7.934 -7.407 -5.637 1.00 0.00 N ATOM 479 CA GLY A 34 8.325 -6.011 -5.557 1.00 0.00 C ATOM 480 C GLY A 34 7.940 -5.230 -6.797 1.00 0.00 C ATOM 481 O GLY A 34 7.812 -4.006 -6.751 1.00 0.00 O ATOM 0 H GLY A 34 6.940 -7.564 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.857 -5.555 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.403 -5.947 -5.411 1.00 0.00 H new ATOM 485 N GLU A 35 7.758 -5.937 -7.908 1.00 0.00 N ATOM 486 CA GLU A 35 7.388 -5.299 -9.166 1.00 0.00 C ATOM 487 C GLU A 35 6.274 -4.278 -8.952 1.00 0.00 C ATOM 488 O GLU A 35 6.148 -3.313 -9.705 1.00 0.00 O ATOM 489 CB GLU A 35 6.941 -6.351 -10.184 1.00 0.00 C ATOM 490 CG GLU A 35 5.469 -6.713 -10.079 1.00 0.00 C ATOM 491 CD GLU A 35 4.603 -5.915 -11.033 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.459 -4.692 -10.823 1.00 0.00 O ATOM 493 OE2 GLU A 35 4.067 -6.513 -11.990 1.00 0.00 O ATOM 0 H GLU A 35 7.861 -6.950 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 35 8.265 -4.779 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.145 -5.981 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.539 -7.252 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.345 -7.776 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.129 -6.544 -9.057 1.00 0.00 H new ATOM 500 N THR A 36 5.467 -4.499 -7.918 1.00 0.00 N ATOM 501 CA THR A 36 4.364 -3.600 -7.604 1.00 0.00 C ATOM 502 C THR A 36 4.775 -2.567 -6.561 1.00 0.00 C ATOM 503 O THR A 36 4.260 -1.448 -6.546 1.00 0.00 O ATOM 504 CB THR A 36 3.137 -4.376 -7.088 1.00 0.00 C ATOM 505 OG1 THR A 36 2.865 -5.490 -7.946 1.00 0.00 O ATOM 506 CG2 THR A 36 1.916 -3.472 -7.019 1.00 0.00 C ATOM 0 H THR A 36 5.557 -5.293 -7.284 1.00 0.00 H new ATOM 0 HA THR A 36 4.099 -3.090 -8.530 1.00 0.00 H new ATOM 0 HB THR A 36 3.359 -4.738 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.999 -5.883 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.062 -4.041 -6.652 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.116 -2.641 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.694 -3.084 -8.013 1.00 0.00 H new ATOM 514 N ILE A 37 5.705 -2.949 -5.692 1.00 0.00 N ATOM 515 CA ILE A 37 6.185 -2.055 -4.647 1.00 0.00 C ATOM 516 C ILE A 37 7.196 -1.056 -5.199 1.00 0.00 C ATOM 517 O ILE A 37 7.459 -0.021 -4.588 1.00 0.00 O ATOM 518 CB ILE A 37 6.834 -2.838 -3.490 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.708 -2.055 -2.182 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.294 -3.129 -3.801 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.282 -1.699 -1.826 1.00 0.00 C ATOM 0 H ILE A 37 6.141 -3.871 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 37 5.316 -1.517 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 37 6.311 -3.788 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.140 -2.644 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.294 -1.139 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.739 -3.683 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.360 -3.723 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.831 -2.190 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.269 -1.145 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.852 -1.084 -2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.696 -2.611 -1.717 1.00 0.00 H new ATOM 533 N ARG A 38 7.759 -1.373 -6.361 1.00 0.00 N ATOM 534 CA ARG A 38 8.741 -0.503 -6.997 1.00 0.00 C ATOM 535 C ARG A 38 8.053 0.605 -7.788 1.00 0.00 C ATOM 536 O ARG A 38 8.539 1.734 -7.845 1.00 0.00 O ATOM 537 CB ARG A 38 9.650 -1.316 -7.921 1.00 0.00 C ATOM 538 CG ARG A 38 10.467 -2.373 -7.196 1.00 0.00 C ATOM 539 CD ARG A 38 11.791 -2.631 -7.897 1.00 0.00 C ATOM 540 NE ARG A 38 12.896 -1.919 -7.260 1.00 0.00 N ATOM 541 CZ ARG A 38 14.173 -2.245 -7.424 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.505 -3.266 -8.202 1.00 0.00 N ATOM 543 NH2 ARG A 38 15.121 -1.549 -6.810 1.00 0.00 N ATOM 0 H ARG A 38 7.552 -2.226 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 38 9.346 -0.045 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.039 -1.800 -8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.328 -0.637 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.653 -2.051 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.897 -3.300 -7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.000 -3.701 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.715 -2.323 -8.940 1.00 0.00 H new ATOM 0 HE ARG A 38 12.675 -1.128 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.779 -3.803 -8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.486 -3.514 -8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.869 -0.763 -6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.101 -1.800 -6.937 1.00 0.00 H new ATOM 557 N SER A 39 6.919 0.274 -8.398 1.00 0.00 N ATOM 558 CA SER A 39 6.166 1.240 -9.191 1.00 0.00 C ATOM 559 C SER A 39 5.509 2.283 -8.293 1.00 0.00 C ATOM 560 O SER A 39 5.329 3.435 -8.690 1.00 0.00 O ATOM 561 CB SER A 39 5.103 0.526 -10.028 1.00 0.00 C ATOM 562 OG SER A 39 4.920 1.170 -11.276 1.00 0.00 O ATOM 0 H SER A 39 6.501 -0.656 -8.358 1.00 0.00 H new ATOM 0 HA SER A 39 6.862 1.748 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.399 -0.511 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.159 0.507 -9.483 1.00 0.00 H new ATOM 0 HG SER A 39 4.237 0.694 -11.793 1.00 0.00 H new ATOM 568 N ILE A 40 5.151 1.871 -7.081 1.00 0.00 N ATOM 569 CA ILE A 40 4.514 2.769 -6.126 1.00 0.00 C ATOM 570 C ILE A 40 5.501 3.808 -5.607 1.00 0.00 C ATOM 571 O ILE A 40 5.214 5.006 -5.606 1.00 0.00 O ATOM 572 CB ILE A 40 3.924 1.995 -4.933 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.893 0.974 -5.418 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.296 2.958 -3.936 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.628 -0.135 -4.424 1.00 0.00 C ATOM 0 H ILE A 40 5.291 0.921 -6.738 1.00 0.00 H new ATOM 0 HA ILE A 40 3.706 3.273 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 40 4.730 1.458 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.957 1.489 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.239 0.537 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.883 2.396 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.055 3.649 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.499 3.519 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.887 -0.822 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.554 -0.675 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.252 0.292 -3.494 1.00 0.00 H new ATOM 587 N CYS A 41 6.664 3.343 -5.167 1.00 0.00 N ATOM 588 CA CYS A 41 7.696 4.233 -4.645 1.00 0.00 C ATOM 589 C CYS A 41 8.046 5.315 -5.662 1.00 0.00 C ATOM 590 O CYS A 41 8.298 6.464 -5.300 1.00 0.00 O ATOM 591 CB CYS A 41 8.948 3.436 -4.278 1.00 0.00 C ATOM 592 SG CYS A 41 10.387 4.460 -3.889 1.00 0.00 S ATOM 0 H CYS A 41 6.917 2.355 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 41 7.306 4.715 -3.749 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.724 2.802 -3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.200 2.774 -5.106 1.00 0.00 H new ATOM 0 HG CYS A 41 10.082 5.294 -2.939 1.00 0.00 H new ATOM 598 N LYS A 42 8.063 4.938 -6.935 1.00 0.00 N ATOM 599 CA LYS A 42 8.384 5.875 -8.007 1.00 0.00 C ATOM 600 C LYS A 42 7.160 6.700 -8.392 1.00 0.00 C ATOM 601 O LYS A 42 7.285 7.830 -8.863 1.00 0.00 O ATOM 602 CB LYS A 42 8.911 5.122 -9.230 1.00 0.00 C ATOM 603 CG LYS A 42 7.815 4.499 -10.079 1.00 0.00 C ATOM 604 CD LYS A 42 8.343 4.057 -11.433 1.00 0.00 C ATOM 605 CE LYS A 42 9.165 2.783 -11.324 1.00 0.00 C ATOM 606 NZ LYS A 42 8.627 1.699 -12.191 1.00 0.00 N ATOM 0 H LYS A 42 7.858 3.990 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 42 9.158 6.552 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.491 5.808 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.592 4.338 -8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.390 3.642 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.008 5.219 -10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.508 3.895 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.955 4.850 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.198 2.992 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.177 2.446 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.215 0.848 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.650 1.481 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.639 2.010 -13.183 1.00 0.00 H new ATOM 620 N ALA A 43 5.978 6.128 -8.188 1.00 0.00 N ATOM 621 CA ALA A 43 4.733 6.811 -8.511 1.00 0.00 C ATOM 622 C ALA A 43 4.442 7.925 -7.510 1.00 0.00 C ATOM 623 O ALA A 43 3.784 8.912 -7.838 1.00 0.00 O ATOM 624 CB ALA A 43 3.579 5.819 -8.550 1.00 0.00 C ATOM 0 H ALA A 43 5.857 5.192 -7.800 1.00 0.00 H new ATOM 0 HA ALA A 43 4.842 7.263 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.655 6.345 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.776 5.062 -9.309 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.478 5.339 -7.576 1.00 0.00 H new ATOM 630 N SER A 44 4.935 7.758 -6.287 1.00 0.00 N ATOM 631 CA SER A 44 4.724 8.746 -5.237 1.00 0.00 C ATOM 632 C SER A 44 6.019 9.486 -4.918 1.00 0.00 C ATOM 633 O SER A 44 6.010 10.682 -4.629 1.00 0.00 O ATOM 634 CB SER A 44 4.185 8.073 -3.973 1.00 0.00 C ATOM 635 OG SER A 44 4.852 6.848 -3.724 1.00 0.00 O ATOM 0 H SER A 44 5.483 6.947 -5.999 1.00 0.00 H new ATOM 0 HA SER A 44 3.991 9.469 -5.596 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.312 8.740 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.115 7.893 -4.081 1.00 0.00 H new ATOM 0 HG SER A 44 4.609 6.197 -4.415 1.00 0.00 H new ATOM 641 N GLY A 45 7.135 8.764 -4.974 1.00 0.00 N ATOM 642 CA GLY A 45 8.424 9.367 -4.689 1.00 0.00 C ATOM 643 C GLY A 45 8.913 9.055 -3.289 1.00 0.00 C ATOM 644 O GLY A 45 10.049 9.372 -2.936 1.00 0.00 O ATOM 0 H GLY A 45 7.169 7.773 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.156 9.011 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.352 10.448 -4.813 1.00 0.00 H new ATOM 648 N ALA A 46 8.053 8.434 -2.488 1.00 0.00 N ATOM 649 CA ALA A 46 8.404 8.079 -1.118 1.00 0.00 C ATOM 650 C ALA A 46 8.864 6.628 -1.028 1.00 0.00 C ATOM 651 O ALA A 46 8.461 5.787 -1.831 1.00 0.00 O ATOM 652 CB ALA A 46 7.222 8.319 -0.191 1.00 0.00 C ATOM 0 H ALA A 46 7.108 8.166 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 46 9.232 8.715 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.498 8.050 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.941 9.372 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.378 7.708 -0.512 1.00 0.00 H new ATOM 658 N LYS A 47 9.711 6.340 -0.045 1.00 0.00 N ATOM 659 CA LYS A 47 10.225 4.990 0.152 1.00 0.00 C ATOM 660 C LYS A 47 9.233 4.139 0.937 1.00 0.00 C ATOM 661 O LYS A 47 8.700 4.573 1.959 1.00 0.00 O ATOM 662 CB LYS A 47 11.567 5.036 0.887 1.00 0.00 C ATOM 663 CG LYS A 47 11.983 3.700 1.477 1.00 0.00 C ATOM 664 CD LYS A 47 12.486 2.749 0.404 1.00 0.00 C ATOM 665 CE LYS A 47 13.828 2.141 0.782 1.00 0.00 C ATOM 666 NZ LYS A 47 14.460 1.434 -0.366 1.00 0.00 N ATOM 0 H LYS A 47 10.056 7.024 0.628 1.00 0.00 H new ATOM 0 HA LYS A 47 10.369 4.536 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.339 5.375 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.509 5.775 1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.764 3.857 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.136 3.250 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.756 1.954 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.581 3.283 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.495 2.926 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.691 1.443 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.372 1.034 -0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.835 0.668 -0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.615 2.106 -1.145 1.00 0.00 H new ATOM 680 N ILE A 48 8.990 2.925 0.454 1.00 0.00 N ATOM 681 CA ILE A 48 8.063 2.012 1.113 1.00 0.00 C ATOM 682 C ILE A 48 8.731 0.676 1.416 1.00 0.00 C ATOM 683 O ILE A 48 9.207 -0.013 0.512 1.00 0.00 O ATOM 684 CB ILE A 48 6.810 1.765 0.253 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.204 3.096 -0.199 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.788 0.948 1.029 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.547 3.461 -1.627 1.00 0.00 C ATOM 0 H ILE A 48 9.422 2.551 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 48 7.763 2.485 2.048 1.00 0.00 H new ATOM 0 HB ILE A 48 7.101 1.200 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.120 3.047 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.552 3.888 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.908 0.782 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.224 -0.012 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.499 1.488 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.085 4.415 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.629 3.543 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.175 2.688 -2.300 1.00 0.00 H new ATOM 699 N THR A 49 8.761 0.311 2.694 1.00 0.00 N ATOM 700 CA THR A 49 9.370 -0.944 3.117 1.00 0.00 C ATOM 701 C THR A 49 8.424 -1.742 4.007 1.00 0.00 C ATOM 702 O THR A 49 7.623 -1.168 4.748 1.00 0.00 O ATOM 703 CB THR A 49 10.688 -0.702 3.875 1.00 0.00 C ATOM 704 OG1 THR A 49 11.454 -1.911 3.924 1.00 0.00 O ATOM 705 CG2 THR A 49 10.416 -0.210 5.289 1.00 0.00 C ATOM 0 H THR A 49 8.370 0.867 3.454 1.00 0.00 H new ATOM 0 HA THR A 49 9.580 -1.514 2.212 1.00 0.00 H new ATOM 0 HB THR A 49 11.253 0.064 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.292 -1.748 4.406 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.362 -0.046 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.858 0.725 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.833 -0.957 5.828 1.00 0.00 H new ATOM 713 N CYS A 50 8.520 -3.064 3.930 1.00 0.00 N ATOM 714 CA CYS A 50 7.671 -3.940 4.731 1.00 0.00 C ATOM 715 C CYS A 50 8.347 -4.293 6.052 1.00 0.00 C ATOM 716 O CYS A 50 9.440 -4.858 6.070 1.00 0.00 O ATOM 717 CB CYS A 50 7.345 -5.216 3.954 1.00 0.00 C ATOM 718 SG CYS A 50 8.759 -6.316 3.712 1.00 0.00 S ATOM 0 H CYS A 50 9.176 -3.553 3.322 1.00 0.00 H new ATOM 0 HA CYS A 50 6.745 -3.409 4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.562 -5.760 4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.941 -4.942 2.979 1.00 0.00 H new ATOM 0 HG CYS A 50 9.572 -6.207 4.721 1.00 0.00 H new ATOM 724 N ASP A 51 7.690 -3.953 7.156 1.00 0.00 N ATOM 725 CA ASP A 51 8.227 -4.234 8.482 1.00 0.00 C ATOM 726 C ASP A 51 9.737 -4.018 8.513 1.00 0.00 C ATOM 727 O ASP A 51 10.290 -3.302 7.678 1.00 0.00 O ATOM 728 CB ASP A 51 7.896 -5.668 8.897 1.00 0.00 C ATOM 729 CG ASP A 51 8.731 -6.693 8.155 1.00 0.00 C ATOM 730 OD1 ASP A 51 8.394 -7.004 6.993 1.00 0.00 O ATOM 731 OD2 ASP A 51 9.721 -7.184 8.736 1.00 0.00 O ATOM 0 H ASP A 51 6.785 -3.483 7.158 1.00 0.00 H new ATOM 0 HA ASP A 51 7.764 -3.544 9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.058 -5.779 9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.839 -5.862 8.712 1.00 0.00 H new ATOM 736 N LYS A 52 10.398 -4.641 9.483 1.00 0.00 N ATOM 737 CA LYS A 52 11.844 -4.518 9.625 1.00 0.00 C ATOM 738 C LYS A 52 12.443 -5.791 10.216 1.00 0.00 C ATOM 739 O LYS A 52 13.378 -6.364 9.659 1.00 0.00 O ATOM 740 CB LYS A 52 12.190 -3.320 10.510 1.00 0.00 C ATOM 741 CG LYS A 52 11.265 -3.157 11.704 1.00 0.00 C ATOM 742 CD LYS A 52 11.928 -3.618 12.990 1.00 0.00 C ATOM 743 CE LYS A 52 12.582 -2.459 13.727 1.00 0.00 C ATOM 744 NZ LYS A 52 13.690 -2.916 14.609 1.00 0.00 N ATOM 0 H LYS A 52 9.955 -5.236 10.183 1.00 0.00 H new ATOM 0 HA LYS A 52 12.270 -4.364 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.214 -3.427 10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.155 -2.412 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.973 -2.111 11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.352 -3.729 11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.186 -4.088 13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.678 -4.375 12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.967 -1.740 13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.833 -1.940 14.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.951 -2.151 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.381 -3.747 15.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.514 -3.170 14.028 1.00 0.00 H new ATOM 758 N GLU A 53 11.897 -6.226 11.347 1.00 0.00 N ATOM 759 CA GLU A 53 12.377 -7.431 12.012 1.00 0.00 C ATOM 760 C GLU A 53 11.796 -8.682 11.360 1.00 0.00 C ATOM 761 O GLU A 53 12.243 -9.798 11.625 1.00 0.00 O ATOM 762 CB GLU A 53 12.012 -7.401 13.498 1.00 0.00 C ATOM 763 CG GLU A 53 13.083 -6.775 14.376 1.00 0.00 C ATOM 764 CD GLU A 53 12.522 -6.202 15.662 1.00 0.00 C ATOM 765 OE1 GLU A 53 11.925 -5.105 15.612 1.00 0.00 O ATOM 766 OE2 GLU A 53 12.679 -6.849 16.719 1.00 0.00 O ATOM 0 H GLU A 53 11.122 -5.762 11.822 1.00 0.00 H new ATOM 0 HA GLU A 53 13.462 -7.461 11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.082 -6.847 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.825 -8.420 13.838 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.836 -7.526 14.615 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.587 -5.984 13.820 1.00 0.00 H new ATOM 773 N SER A 54 10.797 -8.487 10.506 1.00 0.00 N ATOM 774 CA SER A 54 10.150 -9.598 9.819 1.00 0.00 C ATOM 775 C SER A 54 10.755 -9.806 8.434 1.00 0.00 C ATOM 776 O SER A 54 11.151 -8.850 7.768 1.00 0.00 O ATOM 777 CB SER A 54 8.647 -9.345 9.697 1.00 0.00 C ATOM 778 OG SER A 54 7.906 -10.327 10.403 1.00 0.00 O ATOM 0 H SER A 54 10.418 -7.569 10.273 1.00 0.00 H new ATOM 0 HA SER A 54 10.313 -10.501 10.408 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.409 -8.355 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.358 -9.352 8.646 1.00 0.00 H new ATOM 0 HG SER A 54 7.366 -9.893 11.096 1.00 0.00 H new ATOM 784 N GLU A 55 10.824 -11.064 8.008 1.00 0.00 N ATOM 785 CA GLU A 55 11.382 -11.398 6.702 1.00 0.00 C ATOM 786 C GLU A 55 10.290 -11.884 5.753 1.00 0.00 C ATOM 787 O GLU A 55 10.291 -11.554 4.568 1.00 0.00 O ATOM 788 CB GLU A 55 12.465 -12.470 6.845 1.00 0.00 C ATOM 789 CG GLU A 55 13.689 -11.999 7.611 1.00 0.00 C ATOM 790 CD GLU A 55 14.829 -11.593 6.697 1.00 0.00 C ATOM 791 OE1 GLU A 55 15.629 -12.474 6.319 1.00 0.00 O ATOM 792 OE2 GLU A 55 14.920 -10.395 6.359 1.00 0.00 O ATOM 0 H GLU A 55 10.501 -11.867 8.547 1.00 0.00 H new ATOM 0 HA GLU A 55 11.828 -10.496 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.041 -13.337 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.772 -12.799 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.415 -11.153 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.026 -12.795 8.275 1.00 0.00 H new ATOM 799 N GLY A 56 9.361 -12.673 6.283 1.00 0.00 N ATOM 800 CA GLY A 56 8.278 -13.193 5.470 1.00 0.00 C ATOM 801 C GLY A 56 8.105 -14.692 5.623 1.00 0.00 C ATOM 802 O GLY A 56 7.909 -15.406 4.640 1.00 0.00 O ATOM 0 H GLY A 56 9.339 -12.961 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.349 -12.693 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.469 -12.957 4.423 1.00 0.00 H new ATOM 806 N THR A 57 8.179 -15.171 6.861 1.00 0.00 N ATOM 807 CA THR A 57 8.033 -16.593 7.140 1.00 0.00 C ATOM 808 C THR A 57 6.594 -17.049 6.932 1.00 0.00 C ATOM 809 O THR A 57 6.296 -17.787 5.991 1.00 0.00 O ATOM 810 CB THR A 57 8.463 -16.931 8.580 1.00 0.00 C ATOM 811 OG1 THR A 57 9.843 -16.599 8.771 1.00 0.00 O ATOM 812 CG2 THR A 57 8.246 -18.406 8.879 1.00 0.00 C ATOM 0 H THR A 57 8.339 -14.594 7.687 1.00 0.00 H new ATOM 0 HA THR A 57 8.683 -17.120 6.442 1.00 0.00 H new ATOM 0 HB THR A 57 7.850 -16.344 9.264 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.107 -16.815 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.557 -18.620 9.902 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.190 -18.649 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.835 -19.008 8.187 1.00 0.00 H new ATOM 820 N LEU A 58 5.704 -16.606 7.813 1.00 0.00 N ATOM 821 CA LEU A 58 4.294 -16.968 7.725 1.00 0.00 C ATOM 822 C LEU A 58 3.476 -16.235 8.784 1.00 0.00 C ATOM 823 O LEU A 58 2.455 -16.739 9.254 1.00 0.00 O ATOM 824 CB LEU A 58 4.124 -18.480 7.889 1.00 0.00 C ATOM 825 CG LEU A 58 3.558 -19.226 6.681 1.00 0.00 C ATOM 826 CD1 LEU A 58 4.449 -20.402 6.314 1.00 0.00 C ATOM 827 CD2 LEU A 58 2.138 -19.697 6.963 1.00 0.00 C ATOM 0 H LEU A 58 5.934 -15.995 8.597 1.00 0.00 H new ATOM 0 HA LEU A 58 3.929 -16.672 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.095 -18.910 8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.470 -18.662 8.742 1.00 0.00 H new ATOM 0 HG LEU A 58 3.531 -18.540 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.030 -20.921 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.447 -20.040 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.509 -21.090 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.751 -20.226 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.141 -20.367 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.505 -18.836 7.176 1.00 0.00 H new ATOM 839 N LEU A 59 3.930 -15.044 9.154 1.00 0.00 N ATOM 840 CA LEU A 59 3.240 -14.238 10.156 1.00 0.00 C ATOM 841 C LEU A 59 1.760 -14.099 9.816 1.00 0.00 C ATOM 842 O LEU A 59 1.306 -14.557 8.767 1.00 0.00 O ATOM 843 CB LEU A 59 3.883 -12.854 10.259 1.00 0.00 C ATOM 844 CG LEU A 59 4.310 -12.213 8.939 1.00 0.00 C ATOM 845 CD1 LEU A 59 3.150 -12.189 7.956 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.838 -10.805 9.176 1.00 0.00 C ATOM 0 H LEU A 59 4.774 -14.614 8.775 1.00 0.00 H new ATOM 0 HA LEU A 59 3.328 -14.744 11.117 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.180 -12.185 10.754 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.759 -12.929 10.903 1.00 0.00 H new ATOM 0 HG LEU A 59 5.111 -12.814 8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.474 -11.729 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.817 -13.208 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.327 -11.612 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.137 -10.364 8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.057 -10.195 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.699 -10.847 9.844 1.00 0.00 H new ATOM 858 N LEU A 60 1.010 -13.463 10.711 1.00 0.00 N ATOM 859 CA LEU A 60 -0.420 -13.261 10.505 1.00 0.00 C ATOM 860 C LEU A 60 -0.678 -12.021 9.655 1.00 0.00 C ATOM 861 O LEU A 60 -1.445 -12.065 8.692 1.00 0.00 O ATOM 862 CB LEU A 60 -1.134 -13.127 11.851 1.00 0.00 C ATOM 863 CG LEU A 60 -1.734 -14.412 12.423 1.00 0.00 C ATOM 864 CD1 LEU A 60 -1.449 -14.517 13.913 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.232 -14.465 12.161 1.00 0.00 C ATOM 0 H LEU A 60 1.369 -13.079 11.585 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.812 -14.130 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.427 -12.726 12.577 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.933 -12.393 11.745 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.268 -15.261 11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.884 -15.438 14.303 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.372 -14.526 14.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.887 -13.662 14.428 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.641 -15.386 12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.714 -13.609 12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.415 -14.437 11.087 1.00 0.00 H new ATOM 877 N SER A 61 -0.031 -10.917 10.015 1.00 0.00 N ATOM 878 CA SER A 61 -0.192 -9.665 9.286 1.00 0.00 C ATOM 879 C SER A 61 1.164 -9.047 8.961 1.00 0.00 C ATOM 880 O SER A 61 2.185 -9.425 9.537 1.00 0.00 O ATOM 881 CB SER A 61 -1.032 -8.679 10.100 1.00 0.00 C ATOM 882 OG SER A 61 -2.370 -9.130 10.223 1.00 0.00 O ATOM 0 H SER A 61 0.609 -10.864 10.807 1.00 0.00 H new ATOM 0 HA SER A 61 -0.707 -9.883 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.594 -8.555 11.090 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.017 -7.701 9.620 1.00 0.00 H new ATOM 0 HG SER A 61 -2.886 -8.484 10.749 1.00 0.00 H new ATOM 888 N ARG A 62 1.167 -8.094 8.035 1.00 0.00 N ATOM 889 CA ARG A 62 2.398 -7.423 7.632 1.00 0.00 C ATOM 890 C ARG A 62 2.321 -5.927 7.921 1.00 0.00 C ATOM 891 O ARG A 62 1.240 -5.382 8.145 1.00 0.00 O ATOM 892 CB ARG A 62 2.666 -7.654 6.144 1.00 0.00 C ATOM 893 CG ARG A 62 3.777 -8.655 5.872 1.00 0.00 C ATOM 894 CD ARG A 62 4.759 -8.131 4.837 1.00 0.00 C ATOM 895 NE ARG A 62 4.778 -8.958 3.633 1.00 0.00 N ATOM 896 CZ ARG A 62 5.047 -10.258 3.639 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.317 -10.878 4.778 1.00 0.00 N ATOM 898 NH2 ARG A 62 5.045 -10.941 2.501 1.00 0.00 N ATOM 0 H ARG A 62 0.331 -7.769 7.549 1.00 0.00 H new ATOM 0 HA ARG A 62 3.219 -7.845 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.749 -8.004 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.924 -6.703 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.306 -8.873 6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.345 -9.593 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.493 -7.108 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.759 -8.098 5.270 1.00 0.00 H new ATOM 0 HE ARG A 62 4.573 -8.512 2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.319 -10.356 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.523 -11.877 4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.837 -10.467 1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.252 -11.940 2.505 1.00 0.00 H new ATOM 912 N LEU A 63 3.475 -5.269 7.914 1.00 0.00 N ATOM 913 CA LEU A 63 3.540 -3.835 8.174 1.00 0.00 C ATOM 914 C LEU A 63 4.315 -3.116 7.076 1.00 0.00 C ATOM 915 O LEU A 63 5.166 -3.710 6.412 1.00 0.00 O ATOM 916 CB LEU A 63 4.194 -3.573 9.532 1.00 0.00 C ATOM 917 CG LEU A 63 3.602 -2.427 10.353 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.159 -2.439 11.768 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.878 -1.091 9.680 1.00 0.00 C ATOM 0 H LEU A 63 4.379 -5.706 7.731 1.00 0.00 H new ATOM 0 HA LEU A 63 2.522 -3.447 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.134 -4.486 10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.252 -3.368 9.370 1.00 0.00 H new ATOM 0 HG LEU A 63 2.522 -2.567 10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.726 -1.616 12.337 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.909 -3.384 12.250 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.243 -2.325 11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.449 -0.287 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.954 -0.944 9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.428 -1.084 8.687 1.00 0.00 H new ATOM 931 N ILE A 64 4.019 -1.834 6.891 1.00 0.00 N ATOM 932 CA ILE A 64 4.690 -1.033 5.874 1.00 0.00 C ATOM 933 C ILE A 64 5.262 0.247 6.473 1.00 0.00 C ATOM 934 O ILE A 64 4.761 0.754 7.477 1.00 0.00 O ATOM 935 CB ILE A 64 3.735 -0.667 4.723 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.256 -1.932 4.007 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.421 0.275 3.746 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.297 -2.540 3.095 1.00 0.00 C ATOM 0 H ILE A 64 3.319 -1.327 7.432 1.00 0.00 H new ATOM 0 HA ILE A 64 5.503 -1.642 5.479 1.00 0.00 H new ATOM 0 HB ILE A 64 2.866 -0.157 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.960 -2.671 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.367 -1.695 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.734 0.525 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.716 1.186 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.305 -0.210 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.889 -3.433 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.576 -1.817 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.178 -2.809 3.677 1.00 0.00 H new ATOM 950 N LYS A 65 6.313 0.767 5.849 1.00 0.00 N ATOM 951 CA LYS A 65 6.953 1.991 6.317 1.00 0.00 C ATOM 952 C LYS A 65 7.104 2.995 5.179 1.00 0.00 C ATOM 953 O LYS A 65 7.922 2.806 4.277 1.00 0.00 O ATOM 954 CB LYS A 65 8.324 1.677 6.919 1.00 0.00 C ATOM 955 CG LYS A 65 8.367 1.803 8.432 1.00 0.00 C ATOM 956 CD LYS A 65 9.690 1.311 8.995 1.00 0.00 C ATOM 957 CE LYS A 65 9.491 0.530 10.285 1.00 0.00 C ATOM 958 NZ LYS A 65 10.540 0.844 11.292 1.00 0.00 N ATOM 0 H LYS A 65 6.740 0.360 5.017 1.00 0.00 H new ATOM 0 HA LYS A 65 6.318 2.432 7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.611 0.663 6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.064 2.349 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.214 2.844 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.549 1.230 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.187 0.679 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.346 2.161 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.509 0.759 10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.504 -0.538 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.368 0.291 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.475 0.602 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.511 1.859 11.519 1.00 0.00 H new ATOM 972 N ILE A 66 6.314 4.062 5.228 1.00 0.00 N ATOM 973 CA ILE A 66 6.363 5.096 4.202 1.00 0.00 C ATOM 974 C ILE A 66 7.202 6.284 4.659 1.00 0.00 C ATOM 975 O ILE A 66 6.984 6.832 5.739 1.00 0.00 O ATOM 976 CB ILE A 66 4.951 5.591 3.833 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.040 4.404 3.509 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.017 6.552 2.656 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.658 4.521 4.112 1.00 0.00 C ATOM 0 H ILE A 66 5.632 4.233 5.967 1.00 0.00 H new ATOM 0 HA ILE A 66 6.823 4.646 3.322 1.00 0.00 H new ATOM 0 HB ILE A 66 4.533 6.123 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.949 4.311 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.508 3.488 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.012 6.893 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.636 7.410 2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.451 6.044 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.068 3.646 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.739 4.583 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.170 5.419 3.733 1.00 0.00 H new ATOM 991 N SER A 67 8.161 6.679 3.827 1.00 0.00 N ATOM 992 CA SER A 67 9.035 7.802 4.146 1.00 0.00 C ATOM 993 C SER A 67 9.183 8.733 2.946 1.00 0.00 C ATOM 994 O SER A 67 9.059 8.309 1.799 1.00 0.00 O ATOM 995 CB SER A 67 10.410 7.297 4.587 1.00 0.00 C ATOM 996 OG SER A 67 10.834 6.207 3.785 1.00 0.00 O ATOM 0 H SER A 67 8.352 6.238 2.927 1.00 0.00 H new ATOM 0 HA SER A 67 8.582 8.362 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.137 8.106 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.370 6.990 5.632 1.00 0.00 H new ATOM 0 HG SER A 67 11.716 5.903 4.086 1.00 0.00 H new ATOM 1002 N GLY A 68 9.450 10.007 3.223 1.00 0.00 N ATOM 1003 CA GLY A 68 9.609 10.978 2.157 1.00 0.00 C ATOM 1004 C GLY A 68 9.000 12.323 2.503 1.00 0.00 C ATOM 1005 O GLY A 68 8.648 12.576 3.655 1.00 0.00 O ATOM 0 H GLY A 68 9.559 10.382 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.670 11.107 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.144 10.595 1.248 1.00 0.00 H new ATOM 1009 N THR A 69 8.876 13.189 1.502 1.00 0.00 N ATOM 1010 CA THR A 69 8.308 14.515 1.705 1.00 0.00 C ATOM 1011 C THR A 69 6.807 14.438 1.959 1.00 0.00 C ATOM 1012 O THR A 69 6.138 13.512 1.499 1.00 0.00 O ATOM 1013 CB THR A 69 8.565 15.429 0.492 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.484 14.670 -0.719 1.00 0.00 O ATOM 1015 CG2 THR A 69 9.932 16.089 0.593 1.00 0.00 C ATOM 0 H THR A 69 9.162 12.995 0.542 1.00 0.00 H new ATOM 0 HA THR A 69 8.801 14.938 2.580 1.00 0.00 H new ATOM 0 HB THR A 69 7.803 16.208 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.647 15.258 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.092 16.730 -0.274 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.980 16.689 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.705 15.321 0.624 1.00 0.00 H new ATOM 1023 N GLN A 70 6.284 15.415 2.692 1.00 0.00 N ATOM 1024 CA GLN A 70 4.860 15.456 3.006 1.00 0.00 C ATOM 1025 C GLN A 70 4.020 15.178 1.763 1.00 0.00 C ATOM 1026 O GLN A 70 2.861 14.775 1.861 1.00 0.00 O ATOM 1027 CB GLN A 70 4.485 16.816 3.595 1.00 0.00 C ATOM 1028 CG GLN A 70 3.153 16.817 4.327 1.00 0.00 C ATOM 1029 CD GLN A 70 3.272 16.327 5.756 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.792 17.029 6.624 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.790 15.115 6.010 1.00 0.00 N ATOM 0 H GLN A 70 6.824 16.189 3.080 1.00 0.00 H new ATOM 0 HA GLN A 70 4.654 14.680 3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.268 17.133 4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.449 17.553 2.792 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.743 17.827 4.326 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.446 16.186 3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.367 14.567 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.843 14.733 6.954 1.00 0.00 H new ATOM 1040 N LYS A 71 4.612 15.395 0.594 1.00 0.00 N ATOM 1041 CA LYS A 71 3.921 15.168 -0.670 1.00 0.00 C ATOM 1042 C LYS A 71 3.889 13.681 -1.012 1.00 0.00 C ATOM 1043 O LYS A 71 2.857 13.153 -1.425 1.00 0.00 O ATOM 1044 CB LYS A 71 4.604 15.946 -1.796 1.00 0.00 C ATOM 1045 CG LYS A 71 4.182 17.404 -1.870 1.00 0.00 C ATOM 1046 CD LYS A 71 5.179 18.234 -2.661 1.00 0.00 C ATOM 1047 CE LYS A 71 4.826 19.713 -2.626 1.00 0.00 C ATOM 1048 NZ LYS A 71 3.966 20.105 -3.777 1.00 0.00 N ATOM 0 H LYS A 71 5.571 15.729 0.495 1.00 0.00 H new ATOM 0 HA LYS A 71 2.895 15.522 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.684 15.895 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.381 15.463 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.198 17.476 -2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.089 17.808 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.179 18.088 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.202 17.889 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.311 19.941 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.741 20.305 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.747 21.120 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.468 19.911 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.082 19.558 -3.752 1.00 0.00 H new ATOM 1062 N GLU A 72 5.025 13.013 -0.835 1.00 0.00 N ATOM 1063 CA GLU A 72 5.124 11.588 -1.125 1.00 0.00 C ATOM 1064 C GLU A 72 4.443 10.762 -0.037 1.00 0.00 C ATOM 1065 O GLU A 72 3.385 10.174 -0.258 1.00 0.00 O ATOM 1066 CB GLU A 72 6.592 11.172 -1.253 1.00 0.00 C ATOM 1067 CG GLU A 72 7.398 12.065 -2.180 1.00 0.00 C ATOM 1068 CD GLU A 72 8.861 12.141 -1.790 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.258 11.433 -0.841 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.609 12.907 -2.433 1.00 0.00 O ATOM 0 H GLU A 72 5.888 13.435 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 72 4.616 11.400 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.051 11.180 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.640 10.146 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.317 11.691 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.972 13.068 -2.174 1.00 0.00 H new ATOM 1077 N VAL A 73 5.060 10.723 1.141 1.00 0.00 N ATOM 1078 CA VAL A 73 4.514 9.972 2.264 1.00 0.00 C ATOM 1079 C VAL A 73 2.995 10.080 2.312 1.00 0.00 C ATOM 1080 O VAL A 73 2.313 9.176 2.795 1.00 0.00 O ATOM 1081 CB VAL A 73 5.096 10.463 3.604 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.477 9.701 4.766 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.611 10.323 3.609 1.00 0.00 C ATOM 0 H VAL A 73 5.938 11.203 1.341 1.00 0.00 H new ATOM 0 HA VAL A 73 4.796 8.930 2.114 1.00 0.00 H new ATOM 0 HB VAL A 73 4.851 11.519 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.900 10.061 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.398 9.858 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.689 8.637 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.006 10.674 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.880 9.276 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.034 10.918 2.800 1.00 0.00 H new ATOM 1093 N ALA A 74 2.470 11.192 1.808 1.00 0.00 N ATOM 1094 CA ALA A 74 1.030 11.417 1.791 1.00 0.00 C ATOM 1095 C ALA A 74 0.392 10.798 0.552 1.00 0.00 C ATOM 1096 O ALA A 74 -0.694 10.225 0.622 1.00 0.00 O ATOM 1097 CB ALA A 74 0.729 12.907 1.854 1.00 0.00 C ATOM 0 H ALA A 74 3.020 11.951 1.406 1.00 0.00 H new ATOM 0 HA ALA A 74 0.601 10.933 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.350 13.061 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.144 13.323 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.177 13.405 0.995 1.00 0.00 H new ATOM 1103 N ALA A 75 1.074 10.918 -0.583 1.00 0.00 N ATOM 1104 CA ALA A 75 0.574 10.369 -1.837 1.00 0.00 C ATOM 1105 C ALA A 75 0.760 8.856 -1.886 1.00 0.00 C ATOM 1106 O ALA A 75 -0.193 8.112 -2.117 1.00 0.00 O ATOM 1107 CB ALA A 75 1.274 11.027 -3.017 1.00 0.00 C ATOM 0 H ALA A 75 1.975 11.391 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.494 10.580 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.891 10.608 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.087 12.101 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.347 10.845 -2.951 1.00 0.00 H new ATOM 1113 N ALA A 76 1.993 8.408 -1.670 1.00 0.00 N ATOM 1114 CA ALA A 76 2.302 6.984 -1.689 1.00 0.00 C ATOM 1115 C ALA A 76 1.321 6.197 -0.825 1.00 0.00 C ATOM 1116 O ALA A 76 0.884 5.109 -1.198 1.00 0.00 O ATOM 1117 CB ALA A 76 3.730 6.748 -1.218 1.00 0.00 C ATOM 0 H ALA A 76 2.793 9.011 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 76 2.206 6.630 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.948 5.680 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.422 7.271 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.844 7.123 -0.201 1.00 0.00 H new ATOM 1123 N LYS A 77 0.980 6.755 0.332 1.00 0.00 N ATOM 1124 CA LYS A 77 0.050 6.108 1.249 1.00 0.00 C ATOM 1125 C LYS A 77 -1.255 5.754 0.542 1.00 0.00 C ATOM 1126 O LYS A 77 -1.889 4.746 0.856 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.236 7.017 2.446 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.616 6.262 3.707 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.205 7.190 4.756 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.188 7.532 5.833 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.814 7.611 7.182 1.00 0.00 N ATOM 0 H LYS A 77 1.334 7.655 0.657 1.00 0.00 H new ATOM 0 HA LYS A 77 0.512 5.187 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.646 7.625 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.043 7.702 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.338 5.483 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.264 5.764 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.553 8.106 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.075 6.719 5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.599 6.778 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.285 8.485 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.520 8.492 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.849 7.599 7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.510 6.797 7.754 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.649 6.589 -0.414 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.878 6.362 -1.167 1.00 0.00 C ATOM 1147 C HIS A 78 -2.713 5.198 -2.138 1.00 0.00 C ATOM 1148 O HIS A 78 -3.488 4.241 -2.113 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.273 7.627 -1.930 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.694 7.622 -2.402 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.743 8.089 -1.637 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.239 7.207 -3.569 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.870 7.958 -2.312 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.592 7.426 -3.488 1.00 0.00 N ATOM 0 H HIS A 78 -1.136 7.428 -0.686 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.668 6.111 -0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.115 8.493 -1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.613 7.744 -2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.708 6.782 -4.408 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.852 8.238 -1.962 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.272 7.212 -4.218 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.701 5.286 -2.993 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.434 4.240 -3.975 1.00 0.00 C ATOM 1164 C LEU A 79 -1.307 2.879 -3.298 1.00 0.00 C ATOM 1165 O LEU A 79 -1.660 1.851 -3.877 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.157 4.557 -4.753 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.068 5.960 -5.354 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.311 6.199 -5.951 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.148 6.158 -6.407 1.00 0.00 C ATOM 0 H LEU A 79 -1.051 6.071 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.274 4.204 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.695 4.414 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.057 3.831 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.227 6.687 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.355 7.203 -6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.067 6.100 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.500 5.466 -6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.070 7.162 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.020 5.424 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.129 6.030 -5.950 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.802 2.880 -2.069 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.631 1.646 -1.312 1.00 0.00 C ATOM 1183 C ILE A 80 -1.978 1.002 -0.999 1.00 0.00 C ATOM 1184 O ILE A 80 -2.127 -0.218 -1.069 1.00 0.00 O ATOM 1185 CB ILE A 80 0.126 1.893 0.006 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.591 2.230 -0.278 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.022 0.676 0.912 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.214 3.136 0.760 1.00 0.00 C ATOM 0 H ILE A 80 -0.504 3.722 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.045 0.972 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.330 2.741 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.164 1.305 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.663 2.707 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.562 0.866 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.026 0.478 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.456 -0.189 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.253 3.333 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.665 4.077 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.174 2.652 1.736 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.957 1.831 -0.655 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.294 1.344 -0.331 1.00 0.00 C ATOM 1202 C LEU A 81 -5.020 0.874 -1.588 1.00 0.00 C ATOM 1203 O LEU A 81 -5.769 -0.102 -1.554 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.105 2.441 0.358 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.081 2.433 1.887 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.168 3.851 2.430 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -6.216 1.580 2.435 1.00 0.00 C ATOM 0 H LEU A 81 -2.851 2.844 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.191 0.497 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.737 3.408 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.141 2.359 0.030 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.136 1.998 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.150 3.825 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.321 4.432 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.096 4.313 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.183 1.586 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.171 1.985 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.109 0.557 2.075 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.790 1.572 -2.695 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.421 1.223 -3.962 1.00 0.00 C ATOM 1221 C GLU A 82 -5.330 -0.278 -4.221 1.00 0.00 C ATOM 1222 O GLU A 82 -6.207 -0.864 -4.857 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.766 1.991 -5.113 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.225 3.434 -5.221 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.908 3.733 -6.542 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -5.204 3.814 -7.570 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -7.148 3.884 -6.547 1.00 0.00 O ATOM 0 H GLU A 82 -4.172 2.382 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.473 1.500 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.684 1.972 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.983 1.479 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.911 3.655 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.366 4.094 -5.103 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.263 -0.895 -3.724 1.00 0.00 N ATOM 1235 CA LYS A 83 -4.056 -2.327 -3.899 1.00 0.00 C ATOM 1236 C LYS A 83 -4.798 -3.119 -2.829 1.00 0.00 C ATOM 1237 O LYS A 83 -5.458 -4.116 -3.125 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.561 -2.656 -3.849 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.879 -2.593 -5.204 1.00 0.00 C ATOM 1240 CD LYS A 83 -2.032 -1.223 -5.842 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.772 -0.812 -6.589 1.00 0.00 C ATOM 1242 NZ LYS A 83 -0.941 -0.924 -8.065 1.00 0.00 N ATOM 0 H LYS A 83 -3.528 -0.425 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.452 -2.610 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.067 -1.961 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.431 -3.655 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.820 -2.826 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.304 -3.351 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.877 -1.233 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.257 -0.485 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.515 0.215 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.060 -1.439 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.061 -0.635 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.162 -1.909 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.719 -0.306 -8.373 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.688 -2.669 -1.582 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.351 -3.335 -0.468 1.00 0.00 C ATOM 1258 C VAL A 84 -6.838 -3.522 -0.745 1.00 0.00 C ATOM 1259 O VAL A 84 -7.410 -4.568 -0.440 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.181 -2.541 0.842 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -5.819 -3.286 2.004 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.708 -2.274 1.114 1.00 0.00 C ATOM 0 H VAL A 84 -4.146 -1.846 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.879 -4.311 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.688 -1.582 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.689 -2.710 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.883 -3.422 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.343 -4.260 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.605 -1.712 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.177 -3.222 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.285 -1.696 0.292 1.00 0.00 H new ATOM 1272 N SER A 85 -7.460 -2.501 -1.328 1.00 0.00 N ATOM 1273 CA SER A 85 -8.882 -2.552 -1.644 1.00 0.00 C ATOM 1274 C SER A 85 -9.135 -3.423 -2.871 1.00 0.00 C ATOM 1275 O SER A 85 -10.216 -3.987 -3.031 1.00 0.00 O ATOM 1276 CB SER A 85 -9.423 -1.141 -1.887 1.00 0.00 C ATOM 1277 OG SER A 85 -9.961 -0.590 -0.697 1.00 0.00 O ATOM 0 H SER A 85 -7.001 -1.629 -1.591 1.00 0.00 H new ATOM 0 HA SER A 85 -9.402 -2.992 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.623 -0.500 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.193 -1.171 -2.658 1.00 0.00 H new ATOM 0 HG SER A 85 -10.299 0.312 -0.878 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.128 -3.527 -3.732 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.242 -4.328 -4.945 1.00 0.00 C ATOM 1285 C GLU A 86 -8.439 -5.803 -4.606 1.00 0.00 C ATOM 1286 O GLU A 86 -9.457 -6.401 -4.954 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.995 -4.155 -5.816 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.167 -3.135 -6.929 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.962 -3.734 -8.307 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -5.800 -3.804 -8.757 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -7.966 -4.133 -8.933 1.00 0.00 O ATOM 0 H GLU A 86 -7.225 -3.067 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.114 -3.981 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.160 -3.853 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.732 -5.118 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.166 -2.703 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.458 -2.320 -6.782 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.455 -6.384 -3.927 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.519 -7.788 -3.540 1.00 0.00 C ATOM 1300 C ASP A 87 -8.696 -8.040 -2.602 1.00 0.00 C ATOM 1301 O ASP A 87 -9.370 -9.065 -2.699 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.214 -8.214 -2.866 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.898 -9.680 -3.091 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.831 -10.506 -3.013 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.717 -10.001 -3.343 1.00 0.00 O ATOM 0 H ASP A 87 -6.604 -5.904 -3.634 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.663 -8.382 -4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.395 -7.606 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.281 -8.020 -1.796 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.935 -7.099 -1.695 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.028 -7.222 -0.738 1.00 0.00 C ATOM 1312 C GLU A 88 -11.335 -7.573 -1.447 1.00 0.00 C ATOM 1313 O GLU A 88 -12.138 -8.352 -0.937 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.196 -5.920 0.049 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.598 -5.716 0.596 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.766 -4.376 1.288 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.375 -3.349 0.695 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.288 -4.356 2.423 1.00 0.00 O ATOM 0 H GLU A 88 -8.387 -6.244 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.782 -8.027 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.487 -5.912 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.941 -5.080 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.317 -5.792 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.829 -6.516 1.300 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.536 -6.990 -2.624 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.745 -7.240 -3.401 1.00 0.00 C ATOM 1327 C GLU A 89 -12.527 -8.377 -4.396 1.00 0.00 C ATOM 1328 O GLU A 89 -13.299 -9.335 -4.440 1.00 0.00 O ATOM 1329 CB GLU A 89 -13.171 -5.972 -4.145 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.620 -5.582 -3.902 1.00 0.00 C ATOM 1331 CD GLU A 89 -15.240 -4.875 -5.093 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -14.715 -3.814 -5.490 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -16.249 -5.382 -5.624 1.00 0.00 O ATOM 0 H GLU A 89 -10.879 -6.343 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.536 -7.531 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.526 -5.148 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.017 -6.119 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.200 -6.476 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.676 -4.932 -3.028 1.00 0.00 H new ATOM 1340 N LEU A 90 -11.470 -8.263 -5.191 1.00 0.00 N ATOM 1341 CA LEU A 90 -11.149 -9.281 -6.186 1.00 0.00 C ATOM 1342 C LEU A 90 -11.411 -10.680 -5.638 1.00 0.00 C ATOM 1343 O LEU A 90 -11.948 -11.540 -6.337 1.00 0.00 O ATOM 1344 CB LEU A 90 -9.686 -9.157 -6.619 1.00 0.00 C ATOM 1345 CG LEU A 90 -8.758 -10.290 -6.181 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -9.128 -11.586 -6.885 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -7.306 -9.926 -6.458 1.00 0.00 C ATOM 0 H LEU A 90 -10.821 -7.477 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.793 -9.123 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.654 -9.088 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.291 -8.219 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.877 -10.437 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.456 -12.381 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.155 -11.855 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.038 -11.453 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.659 -10.744 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.172 -9.751 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.046 -9.022 -5.907 1.00 0.00 H new ATOM 1359 N ARG A 91 -11.030 -10.900 -4.384 1.00 0.00 N ATOM 1360 CA ARG A 91 -11.225 -12.195 -3.742 1.00 0.00 C ATOM 1361 C ARG A 91 -12.708 -12.466 -3.509 1.00 0.00 C ATOM 1362 O ARG A 91 -13.172 -13.599 -3.645 1.00 0.00 O ATOM 1363 CB ARG A 91 -10.471 -12.247 -2.413 1.00 0.00 C ATOM 1364 CG ARG A 91 -9.107 -12.912 -2.513 1.00 0.00 C ATOM 1365 CD ARG A 91 -8.429 -13.000 -1.155 1.00 0.00 C ATOM 1366 NE ARG A 91 -8.346 -14.376 -0.672 1.00 0.00 N ATOM 1367 CZ ARG A 91 -7.441 -14.794 0.206 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -6.547 -13.947 0.695 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -7.431 -16.062 0.596 1.00 0.00 N ATOM 0 H ARG A 91 -10.585 -10.199 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.832 -12.966 -4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.344 -11.232 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.076 -12.785 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.219 -13.913 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.476 -12.348 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.426 -12.579 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.981 -12.396 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.020 -15.053 -1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.553 -12.971 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.853 -14.271 1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.118 -16.716 0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.736 -16.383 1.270 1.00 0.00 H new ATOM 1383 N LYS A 92 -13.448 -11.422 -3.155 1.00 0.00 N ATOM 1384 CA LYS A 92 -14.879 -11.546 -2.903 1.00 0.00 C ATOM 1385 C LYS A 92 -15.641 -11.798 -4.199 1.00 0.00 C ATOM 1386 O LYS A 92 -16.580 -12.592 -4.233 1.00 0.00 O ATOM 1387 CB LYS A 92 -15.410 -10.281 -2.226 1.00 0.00 C ATOM 1388 CG LYS A 92 -14.998 -10.152 -0.769 1.00 0.00 C ATOM 1389 CD LYS A 92 -16.193 -9.859 0.124 1.00 0.00 C ATOM 1390 CE LYS A 92 -15.864 -8.798 1.164 1.00 0.00 C ATOM 1391 NZ LYS A 92 -15.583 -9.398 2.498 1.00 0.00 N ATOM 0 H LYS A 92 -13.080 -10.478 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.032 -12.398 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -15.054 -9.409 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.498 -10.275 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.516 -11.074 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.262 -9.354 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -17.032 -9.524 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.508 -10.775 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.999 -8.223 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.697 -8.101 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.363 -8.643 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -16.418 -9.926 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.772 -10.044 2.424 1.00 0.00 H new ATOM 1405 N ARG A 93 -15.227 -11.121 -5.265 1.00 0.00 N ATOM 1406 CA ARG A 93 -15.871 -11.273 -6.565 1.00 0.00 C ATOM 1407 C ARG A 93 -15.858 -12.733 -7.010 1.00 0.00 C ATOM 1408 O ARG A 93 -16.629 -13.131 -7.883 1.00 0.00 O ATOM 1409 CB ARG A 93 -15.169 -10.403 -7.610 1.00 0.00 C ATOM 1410 CG ARG A 93 -15.144 -8.925 -7.255 1.00 0.00 C ATOM 1411 CD ARG A 93 -15.128 -8.054 -8.501 1.00 0.00 C ATOM 1412 NE ARG A 93 -14.112 -7.009 -8.425 1.00 0.00 N ATOM 1413 CZ ARG A 93 -12.838 -7.197 -8.752 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -12.427 -8.385 -9.176 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -11.972 -6.196 -8.657 1.00 0.00 N ATOM 0 H ARG A 93 -14.449 -10.462 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.907 -10.949 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.145 -10.755 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.669 -10.529 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -16.017 -8.680 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.265 -8.710 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.943 -8.677 -9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.108 -7.597 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.396 -6.084 -8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.090 -9.157 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.448 -8.527 -9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.284 -5.281 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.994 -6.342 -8.908 1.00 0.00 H new ATOM 1429 N ILE A 94 -14.977 -13.523 -6.405 1.00 0.00 N ATOM 1430 CA ILE A 94 -14.866 -14.937 -6.739 1.00 0.00 C ATOM 1431 C ILE A 94 -15.673 -15.796 -5.771 1.00 0.00 C ATOM 1432 O ILE A 94 -16.350 -16.738 -6.178 1.00 0.00 O ATOM 1433 CB ILE A 94 -13.398 -15.404 -6.722 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -12.531 -14.463 -7.559 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -13.292 -16.831 -7.240 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -11.046 -14.679 -7.368 1.00 0.00 C ATOM 0 H ILE A 94 -14.330 -13.208 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 94 -15.266 -15.057 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.036 -15.382 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.777 -14.597 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.776 -13.432 -7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.249 -17.148 -7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.883 -17.493 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.668 -16.876 -8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.493 -13.977 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.786 -14.517 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.787 -15.699 -7.652 1.00 0.00 H new ATOM 1448 N ALA A 95 -15.596 -15.462 -4.487 1.00 0.00 N ATOM 1449 CA ALA A 95 -16.321 -16.200 -3.460 1.00 0.00 C ATOM 1450 C ALA A 95 -17.828 -16.044 -3.635 1.00 0.00 C ATOM 1451 O ALA A 95 -18.575 -17.022 -3.565 1.00 0.00 O ATOM 1452 CB ALA A 95 -15.898 -15.733 -2.076 1.00 0.00 C ATOM 0 H ALA A 95 -15.038 -14.685 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 95 -16.076 -17.257 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.448 -16.293 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.829 -15.901 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.114 -14.670 -1.969 1.00 0.00 H new ATOM 1458 N HIS A 96 -18.270 -14.812 -3.862 1.00 0.00 N ATOM 1459 CA HIS A 96 -19.689 -14.529 -4.047 1.00 0.00 C ATOM 1460 C HIS A 96 -20.200 -15.144 -5.346 1.00 0.00 C ATOM 1461 O HIS A 96 -19.889 -14.663 -6.436 1.00 0.00 O ATOM 1462 CB HIS A 96 -19.934 -13.020 -4.051 1.00 0.00 C ATOM 1463 CG HIS A 96 -19.989 -12.418 -2.682 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -21.168 -12.041 -2.073 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -19.003 -12.129 -1.800 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -20.904 -11.545 -0.876 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -19.598 -11.588 -0.687 1.00 0.00 N ATOM 0 H HIS A 96 -17.666 -13.992 -3.922 1.00 0.00 H new ATOM 0 HA HIS A 96 -20.235 -14.975 -3.215 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -19.143 -12.533 -4.621 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -20.872 -12.814 -4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -17.945 -12.293 -1.945 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -21.632 -11.169 -0.173 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -19.110 -11.271 0.151 1.00 0.00 H new ATOM 1475 N SER A 97 -20.986 -16.208 -5.222 1.00 0.00 N ATOM 1476 CA SER A 97 -21.537 -16.892 -6.387 1.00 0.00 C ATOM 1477 C SER A 97 -22.477 -15.972 -7.162 1.00 0.00 C ATOM 1478 O SER A 97 -23.621 -15.757 -6.763 1.00 0.00 O ATOM 1479 CB SER A 97 -22.282 -18.156 -5.957 1.00 0.00 C ATOM 1480 OG SER A 97 -21.850 -19.281 -6.703 1.00 0.00 O ATOM 0 H SER A 97 -21.256 -16.616 -4.327 1.00 0.00 H new ATOM 0 HA SER A 97 -20.710 -17.171 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 97 -22.117 -18.335 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.354 -18.015 -6.094 1.00 0.00 H new ATOM 0 HG SER A 97 -22.340 -20.077 -6.408 1.00 0.00 H new ATOM 1486 N ALA A 98 -21.984 -15.433 -8.272 1.00 0.00 N ATOM 1487 CA ALA A 98 -22.779 -14.538 -9.104 1.00 0.00 C ATOM 1488 C ALA A 98 -22.180 -14.413 -10.501 1.00 0.00 C ATOM 1489 O ALA A 98 -22.900 -14.448 -11.500 1.00 0.00 O ATOM 1490 CB ALA A 98 -22.889 -13.168 -8.451 1.00 0.00 C ATOM 0 H ALA A 98 -21.038 -15.600 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 98 -23.778 -14.963 -9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -23.485 -12.510 -9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -23.368 -13.267 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -21.893 -12.744 -8.324 1.00 0.00 H new ATOM 1496 N SER A 99 -20.862 -14.267 -10.565 1.00 0.00 N ATOM 1497 CA SER A 99 -20.167 -14.133 -11.840 1.00 0.00 C ATOM 1498 C SER A 99 -20.779 -13.012 -12.676 1.00 0.00 C ATOM 1499 O SER A 99 -21.752 -12.379 -12.269 1.00 0.00 O ATOM 1500 CB SER A 99 -20.221 -15.450 -12.616 1.00 0.00 C ATOM 1501 OG SER A 99 -21.469 -15.607 -13.269 1.00 0.00 O ATOM 0 H SER A 99 -20.252 -14.238 -9.748 1.00 0.00 H new ATOM 0 HA SER A 99 -19.126 -13.884 -11.634 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.417 -15.476 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 99 -20.056 -16.284 -11.934 1.00 0.00 H new ATOM 0 HG SER A 99 -22.175 -15.195 -12.729 1.00 0.00 H new ATOM 1507 N GLY A 100 -20.200 -12.773 -13.849 1.00 0.00 N ATOM 1508 CA GLY A 100 -20.701 -11.729 -14.724 1.00 0.00 C ATOM 1509 C GLY A 100 -19.610 -10.775 -15.172 1.00 0.00 C ATOM 1510 O GLY A 100 -18.616 -10.565 -14.477 1.00 0.00 O ATOM 0 H GLY A 100 -19.393 -13.283 -14.209 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -21.164 -12.184 -15.600 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -21.480 -11.168 -14.207 1.00 0.00 H new ATOM 1514 N PRO A 101 -19.790 -10.181 -16.360 1.00 0.00 N ATOM 1515 CA PRO A 101 -18.823 -9.237 -16.928 1.00 0.00 C ATOM 1516 C PRO A 101 -18.786 -7.917 -16.164 1.00 0.00 C ATOM 1517 O PRO A 101 -19.749 -7.151 -16.181 1.00 0.00 O ATOM 1518 CB PRO A 101 -19.338 -9.015 -18.352 1.00 0.00 C ATOM 1519 CG PRO A 101 -20.797 -9.306 -18.278 1.00 0.00 C ATOM 1520 CD PRO A 101 -20.952 -10.385 -17.242 1.00 0.00 C ATOM 0 HA PRO A 101 -17.804 -9.621 -16.884 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -19.155 -7.993 -18.684 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -18.838 -9.675 -19.061 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -21.359 -8.414 -18.000 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -21.179 -9.635 -19.244 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -21.891 -10.288 -16.698 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -20.946 -11.378 -17.692 1.00 0.00 H new ATOM 1528 N SER A 102 -17.667 -7.658 -15.494 1.00 0.00 N ATOM 1529 CA SER A 102 -17.506 -6.432 -14.721 1.00 0.00 C ATOM 1530 C SER A 102 -17.558 -5.206 -15.628 1.00 0.00 C ATOM 1531 O SER A 102 -17.449 -5.319 -16.849 1.00 0.00 O ATOM 1532 CB SER A 102 -16.181 -6.457 -13.956 1.00 0.00 C ATOM 1533 OG SER A 102 -16.243 -7.352 -12.858 1.00 0.00 O ATOM 0 H SER A 102 -16.859 -8.280 -15.471 1.00 0.00 H new ATOM 0 HA SER A 102 -18.329 -6.371 -14.009 1.00 0.00 H new ATOM 0 HB2 SER A 102 -15.375 -6.755 -14.627 1.00 0.00 H new ATOM 0 HB3 SER A 102 -15.944 -5.455 -13.599 1.00 0.00 H new ATOM 0 HG SER A 102 -15.384 -7.351 -12.386 1.00 0.00 H new ATOM 1539 N SER A 103 -17.727 -4.036 -15.022 1.00 0.00 N ATOM 1540 CA SER A 103 -17.798 -2.789 -15.774 1.00 0.00 C ATOM 1541 C SER A 103 -16.425 -2.403 -16.317 1.00 0.00 C ATOM 1542 O SER A 103 -15.404 -2.943 -15.894 1.00 0.00 O ATOM 1543 CB SER A 103 -18.344 -1.666 -14.890 1.00 0.00 C ATOM 1544 OG SER A 103 -19.030 -0.697 -15.662 1.00 0.00 O ATOM 0 H SER A 103 -17.817 -3.925 -14.012 1.00 0.00 H new ATOM 0 HA SER A 103 -18.473 -2.939 -16.616 1.00 0.00 H new ATOM 0 HB2 SER A 103 -19.018 -2.083 -14.142 1.00 0.00 H new ATOM 0 HB3 SER A 103 -17.524 -1.192 -14.351 1.00 0.00 H new ATOM 0 HG SER A 103 -19.371 0.009 -15.074 1.00 0.00 H new ATOM 1550 N GLY A 104 -16.410 -1.463 -17.258 1.00 0.00 N ATOM 1551 CA GLY A 104 -15.159 -1.021 -17.844 1.00 0.00 C ATOM 1552 C GLY A 104 -15.100 0.485 -18.017 1.00 0.00 C ATOM 1553 O GLY A 104 -15.397 1.234 -17.087 1.00 0.00 O ATOM 0 H GLY A 104 -17.242 -1.000 -17.624 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.331 -1.344 -17.212 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.026 -1.501 -18.814 1.00 0.00 H new TER 1557 GLY A 104