USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0119) 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0726 K(o=-0.073,f=-1.1) USER MOD Single : A 12 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.022) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0023 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= -0.457 (180deg=-1.88!) USER MOD Single : A 35 SER OG : rot -68:sc= 0.124 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.014) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.24) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 54 ASN : amide:sc= -0.0443 K(o=-0.044,f=-1) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.367 F(o=-2.6,f=-0.37) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 26:sc= 0.805 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0411 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.165 17.026 -13.032 1.00 0.00 N ATOM 2 CA GLY A 1 7.400 18.337 -12.455 1.00 0.00 C ATOM 3 C GLY A 1 8.669 18.388 -11.628 1.00 0.00 C ATOM 4 O GLY A 1 9.714 17.893 -12.050 1.00 0.00 O ATOM 0 H1 GLY A 1 6.334 17.065 -13.655 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.998 16.735 -13.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.995 16.337 -12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.461 19.076 -13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.551 18.613 -11.829 1.00 0.00 H new ATOM 8 N SER A 2 8.579 18.989 -10.446 1.00 0.00 N ATOM 9 CA SER A 2 9.731 19.108 -9.559 1.00 0.00 C ATOM 10 C SER A 2 10.541 17.815 -9.546 1.00 0.00 C ATOM 11 O SER A 2 11.736 17.816 -9.842 1.00 0.00 O ATOM 12 CB SER A 2 9.275 19.452 -8.140 1.00 0.00 C ATOM 13 OG SER A 2 10.355 19.378 -7.225 1.00 0.00 O ATOM 0 H SER A 2 7.721 19.401 -10.080 1.00 0.00 H new ATOM 0 HA SER A 2 10.366 19.911 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.849 20.455 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.486 18.766 -7.832 1.00 0.00 H new ATOM 0 HG SER A 2 10.038 19.604 -6.326 1.00 0.00 H new ATOM 19 N SER A 3 9.882 16.714 -9.200 1.00 0.00 N ATOM 20 CA SER A 3 10.541 15.414 -9.144 1.00 0.00 C ATOM 21 C SER A 3 10.198 14.578 -10.373 1.00 0.00 C ATOM 22 O SER A 3 11.074 13.975 -10.991 1.00 0.00 O ATOM 23 CB SER A 3 10.133 14.666 -7.873 1.00 0.00 C ATOM 24 OG SER A 3 10.965 13.541 -7.654 1.00 0.00 O ATOM 0 H SER A 3 8.892 16.696 -8.954 1.00 0.00 H new ATOM 0 HA SER A 3 11.618 15.580 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.192 15.338 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.095 14.344 -7.954 1.00 0.00 H new ATOM 0 HG SER A 3 10.685 13.081 -6.835 1.00 0.00 H new ATOM 30 N GLY A 4 8.916 14.547 -10.721 1.00 0.00 N ATOM 31 CA GLY A 4 8.478 13.782 -11.874 1.00 0.00 C ATOM 32 C GLY A 4 8.163 12.340 -11.528 1.00 0.00 C ATOM 33 O GLY A 4 7.463 12.067 -10.553 1.00 0.00 O ATOM 0 H GLY A 4 8.172 15.038 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.592 14.251 -12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.254 13.808 -12.639 1.00 0.00 H new ATOM 37 N SER A 5 8.681 11.414 -12.329 1.00 0.00 N ATOM 38 CA SER A 5 8.446 9.992 -12.105 1.00 0.00 C ATOM 39 C SER A 5 9.465 9.422 -11.123 1.00 0.00 C ATOM 40 O SER A 5 10.476 10.056 -10.821 1.00 0.00 O ATOM 41 CB SER A 5 8.514 9.228 -13.428 1.00 0.00 C ATOM 42 OG SER A 5 9.851 9.119 -13.887 1.00 0.00 O ATOM 0 H SER A 5 9.266 11.623 -13.138 1.00 0.00 H new ATOM 0 HA SER A 5 7.450 9.876 -11.677 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.088 8.233 -13.299 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.909 9.738 -14.178 1.00 0.00 H new ATOM 0 HG SER A 5 9.867 8.625 -14.733 1.00 0.00 H new ATOM 48 N SER A 6 9.191 8.219 -10.627 1.00 0.00 N ATOM 49 CA SER A 6 10.080 7.563 -9.676 1.00 0.00 C ATOM 50 C SER A 6 10.566 6.224 -10.221 1.00 0.00 C ATOM 51 O SER A 6 11.767 6.001 -10.373 1.00 0.00 O ATOM 52 CB SER A 6 9.367 7.354 -8.339 1.00 0.00 C ATOM 53 OG SER A 6 10.298 7.191 -7.284 1.00 0.00 O ATOM 0 H SER A 6 8.360 7.679 -10.868 1.00 0.00 H new ATOM 0 HA SER A 6 10.945 8.208 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.722 8.207 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.724 6.476 -8.400 1.00 0.00 H new ATOM 0 HG SER A 6 9.817 7.061 -6.440 1.00 0.00 H new ATOM 59 N GLY A 7 9.623 5.334 -10.515 1.00 0.00 N ATOM 60 CA GLY A 7 9.974 4.027 -11.040 1.00 0.00 C ATOM 61 C GLY A 7 8.845 3.400 -11.834 1.00 0.00 C ATOM 62 O GLY A 7 7.784 4.001 -12.002 1.00 0.00 O ATOM 0 H GLY A 7 8.622 5.495 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.854 4.119 -11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.244 3.368 -10.215 1.00 0.00 H new ATOM 66 N THR A 8 9.074 2.186 -12.328 1.00 0.00 N ATOM 67 CA THR A 8 8.070 1.478 -13.111 1.00 0.00 C ATOM 68 C THR A 8 7.563 0.246 -12.370 1.00 0.00 C ATOM 69 O THR A 8 6.367 -0.041 -12.369 1.00 0.00 O ATOM 70 CB THR A 8 8.628 1.047 -14.480 1.00 0.00 C ATOM 71 OG1 THR A 8 9.020 2.199 -15.235 1.00 0.00 O ATOM 72 CG2 THR A 8 7.591 0.252 -15.261 1.00 0.00 C ATOM 0 H THR A 8 9.946 1.674 -12.199 1.00 0.00 H new ATOM 0 HA THR A 8 7.243 2.171 -13.266 1.00 0.00 H new ATOM 0 HB THR A 8 9.497 0.412 -14.309 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.375 1.916 -16.103 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.008 -0.042 -16.224 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.316 -0.640 -14.698 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.706 0.867 -15.421 1.00 0.00 H new ATOM 80 N ALA A 9 8.482 -0.479 -11.740 1.00 0.00 N ATOM 81 CA ALA A 9 8.127 -1.680 -10.993 1.00 0.00 C ATOM 82 C ALA A 9 8.305 -1.466 -9.494 1.00 0.00 C ATOM 83 O ALA A 9 8.152 -2.396 -8.703 1.00 0.00 O ATOM 84 CB ALA A 9 8.964 -2.860 -11.463 1.00 0.00 C ATOM 0 H ALA A 9 9.477 -0.256 -11.732 1.00 0.00 H new ATOM 0 HA ALA A 9 7.075 -1.897 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.689 -3.750 -10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.784 -3.034 -12.524 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.020 -2.642 -11.306 1.00 0.00 H new ATOM 90 N GLN A 10 8.628 -0.235 -9.111 1.00 0.00 N ATOM 91 CA GLN A 10 8.828 0.100 -7.706 1.00 0.00 C ATOM 92 C GLN A 10 7.578 -0.213 -6.889 1.00 0.00 C ATOM 93 O GLN A 10 6.451 -0.123 -7.374 1.00 0.00 O ATOM 94 CB GLN A 10 9.191 1.579 -7.558 1.00 0.00 C ATOM 95 CG GLN A 10 10.642 1.885 -7.890 1.00 0.00 C ATOM 96 CD GLN A 10 11.570 1.657 -6.713 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.855 0.518 -6.343 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.048 2.744 -6.118 1.00 0.00 N ATOM 0 H GLN A 10 8.757 0.547 -9.754 1.00 0.00 H new ATOM 0 HA GLN A 10 9.650 -0.508 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.546 2.170 -8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.987 1.894 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.959 1.260 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.725 2.921 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.785 3.669 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.678 2.654 -5.321 1.00 0.00 H new ATOM 107 N PRO A 11 7.781 -0.591 -5.618 1.00 0.00 N ATOM 108 CA PRO A 11 6.683 -0.925 -4.706 1.00 0.00 C ATOM 109 C PRO A 11 5.862 0.299 -4.315 1.00 0.00 C ATOM 110 O PRO A 11 4.694 0.183 -3.947 1.00 0.00 O ATOM 111 CB PRO A 11 7.400 -1.502 -3.483 1.00 0.00 C ATOM 112 CG PRO A 11 8.758 -0.892 -3.518 1.00 0.00 C ATOM 113 CD PRO A 11 9.098 -0.721 -4.972 1.00 0.00 C ATOM 0 HA PRO A 11 5.969 -1.612 -5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.876 -1.249 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.453 -2.590 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.769 0.067 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.486 -1.532 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.716 0.161 -5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.652 -1.576 -5.358 1.00 0.00 H new ATOM 121 N ASN A 12 6.481 1.472 -4.396 1.00 0.00 N ATOM 122 CA ASN A 12 5.807 2.718 -4.050 1.00 0.00 C ATOM 123 C ASN A 12 5.227 3.386 -5.292 1.00 0.00 C ATOM 124 O ASN A 12 4.056 3.763 -5.317 1.00 0.00 O ATOM 125 CB ASN A 12 6.780 3.671 -3.351 1.00 0.00 C ATOM 126 CG ASN A 12 7.832 2.934 -2.546 1.00 0.00 C ATOM 127 OD1 ASN A 12 9.024 3.229 -2.644 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.396 1.971 -1.743 1.00 0.00 N ATOM 0 H ASN A 12 7.448 1.586 -4.698 1.00 0.00 H new ATOM 0 HA ASN A 12 4.988 2.483 -3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.270 4.297 -4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.222 4.337 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.058 1.442 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.399 1.761 -1.694 1.00 0.00 H new ATOM 135 N ALA A 13 6.055 3.529 -6.322 1.00 0.00 N ATOM 136 CA ALA A 13 5.624 4.149 -7.569 1.00 0.00 C ATOM 137 C ALA A 13 4.287 3.581 -8.031 1.00 0.00 C ATOM 138 O ALA A 13 3.325 4.322 -8.238 1.00 0.00 O ATOM 139 CB ALA A 13 6.681 3.958 -8.646 1.00 0.00 C ATOM 0 H ALA A 13 7.028 3.224 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 13 5.493 5.216 -7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.346 4.426 -9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.615 4.418 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.840 2.893 -8.815 1.00 0.00 H new ATOM 145 N ILE A 14 4.233 2.263 -8.191 1.00 0.00 N ATOM 146 CA ILE A 14 3.012 1.596 -8.628 1.00 0.00 C ATOM 147 C ILE A 14 1.823 2.004 -7.764 1.00 0.00 C ATOM 148 O ILE A 14 0.818 2.505 -8.269 1.00 0.00 O ATOM 149 CB ILE A 14 3.162 0.064 -8.586 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.336 -0.380 -9.459 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.874 -0.606 -9.040 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.761 -1.812 -9.219 1.00 0.00 C ATOM 0 H ILE A 14 5.020 1.636 -8.025 1.00 0.00 H new ATOM 0 HA ILE A 14 2.833 1.907 -9.657 1.00 0.00 H new ATOM 0 HB ILE A 14 3.364 -0.239 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.063 -0.262 -10.508 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.185 0.278 -9.274 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.995 -1.689 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.058 -0.311 -8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.644 -0.299 -10.060 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.598 -2.058 -9.873 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.065 -1.932 -8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.926 -2.480 -9.432 1.00 0.00 H new ATOM 164 N LEU A 15 1.946 1.788 -6.459 1.00 0.00 N ATOM 165 CA LEU A 15 0.882 2.135 -5.523 1.00 0.00 C ATOM 166 C LEU A 15 0.374 3.551 -5.776 1.00 0.00 C ATOM 167 O LEU A 15 -0.832 3.787 -5.827 1.00 0.00 O ATOM 168 CB LEU A 15 1.382 2.010 -4.083 1.00 0.00 C ATOM 169 CG LEU A 15 1.198 0.643 -3.424 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.146 0.486 -2.245 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.245 0.456 -2.979 1.00 0.00 C ATOM 0 H LEU A 15 2.771 1.374 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 15 0.056 1.440 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.443 2.260 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.869 2.756 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 15 1.434 -0.127 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.000 -0.493 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.176 0.575 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.942 1.263 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.358 -0.522 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.508 1.233 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.904 0.523 -3.844 1.00 0.00 H new ATOM 183 N GLU A 16 1.303 4.488 -5.936 1.00 0.00 N ATOM 184 CA GLU A 16 0.948 5.880 -6.185 1.00 0.00 C ATOM 185 C GLU A 16 0.208 6.023 -7.512 1.00 0.00 C ATOM 186 O GLU A 16 -0.581 6.949 -7.699 1.00 0.00 O ATOM 187 CB GLU A 16 2.203 6.756 -6.191 1.00 0.00 C ATOM 188 CG GLU A 16 1.939 8.199 -5.797 1.00 0.00 C ATOM 189 CD GLU A 16 3.214 8.965 -5.499 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.086 9.034 -6.390 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.339 9.494 -4.375 1.00 0.00 O ATOM 0 H GLU A 16 2.306 4.309 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 16 0.288 6.210 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.937 6.330 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.646 6.735 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.399 8.698 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.293 8.220 -4.919 1.00 0.00 H new ATOM 198 N LYS A 17 0.469 5.100 -8.431 1.00 0.00 N ATOM 199 CA LYS A 17 -0.171 5.121 -9.741 1.00 0.00 C ATOM 200 C LYS A 17 -1.591 4.568 -9.661 1.00 0.00 C ATOM 201 O LYS A 17 -2.531 5.169 -10.182 1.00 0.00 O ATOM 202 CB LYS A 17 0.649 4.308 -10.745 1.00 0.00 C ATOM 203 CG LYS A 17 -0.036 4.134 -12.090 1.00 0.00 C ATOM 204 CD LYS A 17 0.962 3.788 -13.183 1.00 0.00 C ATOM 205 CE LYS A 17 0.442 4.183 -14.557 1.00 0.00 C ATOM 206 NZ LYS A 17 1.514 4.135 -15.590 1.00 0.00 N ATOM 0 H LYS A 17 1.120 4.327 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.221 6.157 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.611 4.798 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.855 3.325 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.786 3.346 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.562 5.052 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.906 4.297 -12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.167 2.718 -13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.370 3.514 -14.844 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.025 5.189 -14.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.120 4.411 -16.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.277 4.792 -15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.894 3.169 -15.651 1.00 0.00 H new ATOM 220 N VAL A 18 -1.739 3.422 -9.005 1.00 0.00 N ATOM 221 CA VAL A 18 -3.044 2.790 -8.856 1.00 0.00 C ATOM 222 C VAL A 18 -3.920 3.563 -7.876 1.00 0.00 C ATOM 223 O VAL A 18 -5.104 3.267 -7.718 1.00 0.00 O ATOM 224 CB VAL A 18 -2.911 1.335 -8.369 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.265 0.787 -7.945 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.290 0.466 -9.452 1.00 0.00 C ATOM 0 H VAL A 18 -0.971 2.912 -8.568 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.512 2.795 -9.840 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.252 1.320 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.151 -0.242 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.666 1.395 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.950 0.814 -8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.203 -0.559 -9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.921 0.486 -10.341 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.300 0.848 -9.702 1.00 0.00 H new ATOM 236 N PHE A 19 -3.330 4.558 -7.222 1.00 0.00 N ATOM 237 CA PHE A 19 -4.056 5.375 -6.257 1.00 0.00 C ATOM 238 C PHE A 19 -4.855 6.467 -6.961 1.00 0.00 C ATOM 239 O PHE A 19 -6.004 6.739 -6.608 1.00 0.00 O ATOM 240 CB PHE A 19 -3.085 6.004 -5.255 1.00 0.00 C ATOM 241 CG PHE A 19 -3.766 6.798 -4.177 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.432 7.974 -4.481 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.738 6.368 -2.860 1.00 0.00 C ATOM 244 CE1 PHE A 19 -5.060 8.706 -3.491 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.365 7.096 -1.867 1.00 0.00 C ATOM 246 CZ PHE A 19 -5.026 8.268 -2.182 1.00 0.00 C ATOM 0 H PHE A 19 -2.351 4.818 -7.343 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.751 4.728 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.490 5.216 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.393 6.653 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.461 8.323 -5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.221 5.454 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.577 9.620 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.338 6.749 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.514 8.840 -1.407 1.00 0.00 H new ATOM 256 N THR A 20 -4.239 7.092 -7.960 1.00 0.00 N ATOM 257 CA THR A 20 -4.891 8.156 -8.714 1.00 0.00 C ATOM 258 C THR A 20 -5.337 7.664 -10.086 1.00 0.00 C ATOM 259 O THR A 20 -6.402 8.038 -10.575 1.00 0.00 O ATOM 260 CB THR A 20 -3.959 9.369 -8.894 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.848 9.015 -9.725 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.454 9.867 -7.548 1.00 0.00 C ATOM 0 H THR A 20 -3.289 6.880 -8.266 1.00 0.00 H new ATOM 0 HA THR A 20 -5.765 8.461 -8.139 1.00 0.00 H new ATOM 0 HB THR A 20 -4.527 10.168 -9.370 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.262 9.792 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.798 10.724 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.301 10.164 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.901 9.071 -7.049 1.00 0.00 H new ATOM 270 N ALA A 21 -4.514 6.822 -10.704 1.00 0.00 N ATOM 271 CA ALA A 21 -4.825 6.277 -12.019 1.00 0.00 C ATOM 272 C ALA A 21 -6.069 5.396 -11.968 1.00 0.00 C ATOM 273 O ALA A 21 -6.910 5.441 -12.866 1.00 0.00 O ATOM 274 CB ALA A 21 -3.640 5.489 -12.558 1.00 0.00 C ATOM 0 H ALA A 21 -3.627 6.503 -10.314 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.029 7.110 -12.691 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.887 5.088 -13.541 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.774 6.146 -12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.409 4.668 -11.879 1.00 0.00 H new ATOM 280 N ILE A 22 -6.178 4.595 -10.913 1.00 0.00 N ATOM 281 CA ILE A 22 -7.319 3.704 -10.746 1.00 0.00 C ATOM 282 C ILE A 22 -8.285 4.240 -9.695 1.00 0.00 C ATOM 283 O ILE A 22 -9.425 4.589 -10.002 1.00 0.00 O ATOM 284 CB ILE A 22 -6.873 2.286 -10.343 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.749 1.801 -11.261 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.053 1.327 -10.387 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.195 1.563 -12.687 1.00 0.00 C ATOM 0 H ILE A 22 -5.490 4.545 -10.162 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.825 3.655 -11.710 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.494 2.317 -9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.945 2.537 -11.258 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.336 0.876 -10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.722 0.329 -10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.824 1.667 -9.695 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.460 1.297 -11.398 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.348 1.221 -13.281 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.978 0.805 -12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.581 2.492 -13.107 1.00 0.00 H new ATOM 299 N THR A 23 -7.821 4.303 -8.450 1.00 0.00 N ATOM 300 CA THR A 23 -8.642 4.797 -7.353 1.00 0.00 C ATOM 301 C THR A 23 -7.838 4.885 -6.061 1.00 0.00 C ATOM 302 O THR A 23 -6.898 4.119 -5.848 1.00 0.00 O ATOM 303 CB THR A 23 -9.869 3.895 -7.119 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.723 4.476 -6.127 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.442 2.504 -6.676 1.00 0.00 C ATOM 0 H THR A 23 -6.880 4.018 -8.177 1.00 0.00 H new ATOM 0 HA THR A 23 -8.981 5.794 -7.636 1.00 0.00 H new ATOM 0 HB THR A 23 -10.413 3.808 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.501 3.897 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.325 1.886 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.817 2.053 -7.447 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.877 2.576 -5.746 1.00 0.00 H new ATOM 313 N LYS A 24 -8.213 5.825 -5.199 1.00 0.00 N ATOM 314 CA LYS A 24 -7.528 6.013 -3.925 1.00 0.00 C ATOM 315 C LYS A 24 -7.994 4.984 -2.900 1.00 0.00 C ATOM 316 O LYS A 24 -7.249 4.619 -1.990 1.00 0.00 O ATOM 317 CB LYS A 24 -7.775 7.427 -3.394 1.00 0.00 C ATOM 318 CG LYS A 24 -9.241 7.739 -3.153 1.00 0.00 C ATOM 319 CD LYS A 24 -9.421 8.737 -2.022 1.00 0.00 C ATOM 320 CE LYS A 24 -9.416 10.168 -2.535 1.00 0.00 C ATOM 321 NZ LYS A 24 -10.232 11.069 -1.674 1.00 0.00 N ATOM 0 H LYS A 24 -8.988 6.469 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.460 5.876 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.227 7.556 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.371 8.148 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.683 8.138 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.775 6.819 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.360 8.538 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.622 8.609 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.391 10.535 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.803 10.190 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.203 12.035 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.216 10.733 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.847 11.068 -0.708 1.00 0.00 H new ATOM 335 N HIS A 25 -9.230 4.520 -3.054 1.00 0.00 N ATOM 336 CA HIS A 25 -9.794 3.532 -2.142 1.00 0.00 C ATOM 337 C HIS A 25 -10.090 2.225 -2.872 1.00 0.00 C ATOM 338 O HIS A 25 -11.224 1.946 -3.262 1.00 0.00 O ATOM 339 CB HIS A 25 -11.073 4.071 -1.499 1.00 0.00 C ATOM 340 CG HIS A 25 -10.820 5.002 -0.353 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.478 4.905 0.855 1.00 0.00 N ATOM 342 CD2 HIS A 25 -9.975 6.053 -0.236 1.00 0.00 C ATOM 343 CE1 HIS A 25 -11.049 5.856 1.665 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.136 6.566 1.027 1.00 0.00 N ATOM 0 H HIS A 25 -9.860 4.812 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.059 3.334 -1.361 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.660 4.591 -2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.675 3.233 -1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.300 6.420 -0.995 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.387 6.024 2.677 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.632 7.366 1.411 1.00 0.00 H new ATOM 353 N PRO A 26 -9.047 1.404 -3.062 1.00 0.00 N ATOM 354 CA PRO A 26 -9.170 0.113 -3.747 1.00 0.00 C ATOM 355 C PRO A 26 -9.949 -0.907 -2.924 1.00 0.00 C ATOM 356 O PRO A 26 -10.329 -0.640 -1.784 1.00 0.00 O ATOM 357 CB PRO A 26 -7.717 -0.336 -3.920 1.00 0.00 C ATOM 358 CG PRO A 26 -6.975 0.352 -2.827 1.00 0.00 C ATOM 359 CD PRO A 26 -7.667 1.671 -2.623 1.00 0.00 C ATOM 0 HA PRO A 26 -9.718 0.199 -4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.625 -1.419 -3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.330 -0.055 -4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.989 -0.241 -1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.929 0.498 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.631 1.987 -1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.204 2.463 -3.212 1.00 0.00 H new ATOM 367 N ASP A 27 -10.183 -2.077 -3.508 1.00 0.00 N ATOM 368 CA ASP A 27 -10.915 -3.139 -2.828 1.00 0.00 C ATOM 369 C ASP A 27 -9.970 -4.248 -2.376 1.00 0.00 C ATOM 370 O ASP A 27 -8.804 -4.279 -2.766 1.00 0.00 O ATOM 371 CB ASP A 27 -11.993 -3.714 -3.748 1.00 0.00 C ATOM 372 CG ASP A 27 -13.068 -4.462 -2.984 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.326 -4.100 -1.817 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.650 -5.410 -3.552 1.00 0.00 O ATOM 0 H ASP A 27 -9.876 -2.314 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.391 -2.711 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.452 -2.904 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.530 -4.387 -4.470 1.00 0.00 H new ATOM 379 N GLU A 28 -10.482 -5.155 -1.551 1.00 0.00 N ATOM 380 CA GLU A 28 -9.682 -6.264 -1.045 1.00 0.00 C ATOM 381 C GLU A 28 -9.166 -7.130 -2.190 1.00 0.00 C ATOM 382 O GLU A 28 -8.154 -7.819 -2.056 1.00 0.00 O ATOM 383 CB GLU A 28 -10.506 -7.117 -0.078 1.00 0.00 C ATOM 384 CG GLU A 28 -9.702 -8.206 0.611 1.00 0.00 C ATOM 385 CD GLU A 28 -10.580 -9.257 1.262 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.749 -9.393 0.846 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.098 -9.944 2.187 1.00 0.00 O ATOM 0 H GLU A 28 -11.446 -5.144 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.827 -5.848 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.947 -6.469 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.330 -7.576 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.048 -8.685 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.060 -7.755 1.368 1.00 0.00 H new ATOM 394 N LYS A 29 -9.869 -7.091 -3.317 1.00 0.00 N ATOM 395 CA LYS A 29 -9.484 -7.870 -4.488 1.00 0.00 C ATOM 396 C LYS A 29 -8.471 -7.110 -5.338 1.00 0.00 C ATOM 397 O LYS A 29 -7.400 -7.628 -5.655 1.00 0.00 O ATOM 398 CB LYS A 29 -10.717 -8.211 -5.328 1.00 0.00 C ATOM 399 CG LYS A 29 -10.408 -8.439 -6.797 1.00 0.00 C ATOM 400 CD LYS A 29 -9.582 -9.697 -7.004 1.00 0.00 C ATOM 401 CE LYS A 29 -10.466 -10.924 -7.164 1.00 0.00 C ATOM 402 NZ LYS A 29 -10.977 -11.413 -5.854 1.00 0.00 N ATOM 0 H LYS A 29 -10.710 -6.527 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.021 -8.794 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.187 -9.106 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.442 -7.402 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.339 -8.518 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.869 -7.579 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.956 -9.581 -7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.913 -9.838 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.307 -10.684 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.901 -11.718 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.974 -12.453 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.367 -11.059 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.948 -11.069 -5.710 1.00 0.00 H new ATOM 416 N ARG A 30 -8.815 -5.879 -5.702 1.00 0.00 N ATOM 417 CA ARG A 30 -7.935 -5.048 -6.515 1.00 0.00 C ATOM 418 C ARG A 30 -6.504 -5.095 -5.988 1.00 0.00 C ATOM 419 O ARG A 30 -5.551 -5.214 -6.760 1.00 0.00 O ATOM 420 CB ARG A 30 -8.436 -3.603 -6.533 1.00 0.00 C ATOM 421 CG ARG A 30 -8.011 -2.826 -7.768 1.00 0.00 C ATOM 422 CD ARG A 30 -7.960 -1.331 -7.495 1.00 0.00 C ATOM 423 NE ARG A 30 -9.292 -0.734 -7.466 1.00 0.00 N ATOM 424 CZ ARG A 30 -10.081 -0.644 -8.531 1.00 0.00 C ATOM 425 NH1 ARG A 30 -9.672 -1.110 -9.703 1.00 0.00 N ATOM 426 NH2 ARG A 30 -11.281 -0.087 -8.425 1.00 0.00 N ATOM 0 H ARG A 30 -9.697 -5.435 -5.447 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.943 -5.440 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.524 -3.604 -6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.067 -3.088 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.031 -3.171 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.708 -3.025 -8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.462 -1.153 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.361 -0.843 -8.263 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.636 -0.366 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.750 -1.538 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.279 -1.040 -10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.599 0.273 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.886 -0.019 -9.244 1.00 0.00 H new ATOM 440 N LEU A 31 -6.360 -5.000 -4.671 1.00 0.00 N ATOM 441 CA LEU A 31 -5.045 -5.032 -4.041 1.00 0.00 C ATOM 442 C LEU A 31 -4.253 -6.255 -4.493 1.00 0.00 C ATOM 443 O LEU A 31 -3.052 -6.169 -4.747 1.00 0.00 O ATOM 444 CB LEU A 31 -5.188 -5.037 -2.518 1.00 0.00 C ATOM 445 CG LEU A 31 -5.914 -3.837 -1.908 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.623 -4.239 -0.624 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.937 -2.700 -1.646 1.00 0.00 C ATOM 0 H LEU A 31 -7.138 -4.900 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.501 -4.138 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.718 -5.944 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.192 -5.095 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.663 -3.489 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.134 -3.373 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.351 -5.021 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.892 -4.612 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.471 -1.854 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.165 -3.036 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.475 -2.394 -2.584 1.00 0.00 H new ATOM 459 N GLU A 32 -4.936 -7.391 -4.593 1.00 0.00 N ATOM 460 CA GLU A 32 -4.295 -8.631 -5.016 1.00 0.00 C ATOM 461 C GLU A 32 -3.355 -8.384 -6.192 1.00 0.00 C ATOM 462 O GLU A 32 -2.238 -8.899 -6.227 1.00 0.00 O ATOM 463 CB GLU A 32 -5.350 -9.670 -5.403 1.00 0.00 C ATOM 464 CG GLU A 32 -6.218 -10.118 -4.238 1.00 0.00 C ATOM 465 CD GLU A 32 -6.708 -11.545 -4.392 1.00 0.00 C ATOM 466 OE1 GLU A 32 -7.593 -11.780 -5.241 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.207 -12.426 -3.663 1.00 0.00 O ATOM 0 H GLU A 32 -5.931 -7.479 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.710 -9.011 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.989 -9.254 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.852 -10.540 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.650 -10.031 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.075 -9.451 -4.151 1.00 0.00 H new ATOM 474 N GLY A 33 -3.816 -7.591 -7.155 1.00 0.00 N ATOM 475 CA GLY A 33 -3.005 -7.289 -8.320 1.00 0.00 C ATOM 476 C GLY A 33 -1.655 -6.705 -7.951 1.00 0.00 C ATOM 477 O GLY A 33 -0.654 -6.965 -8.620 1.00 0.00 O ATOM 0 H GLY A 33 -4.737 -7.152 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.857 -8.199 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.539 -6.586 -8.959 1.00 0.00 H new ATOM 481 N LEU A 34 -1.627 -5.913 -6.885 1.00 0.00 N ATOM 482 CA LEU A 34 -0.390 -5.289 -6.429 1.00 0.00 C ATOM 483 C LEU A 34 0.468 -6.283 -5.652 1.00 0.00 C ATOM 484 O LEU A 34 1.691 -6.300 -5.786 1.00 0.00 O ATOM 485 CB LEU A 34 -0.701 -4.074 -5.553 1.00 0.00 C ATOM 486 CG LEU A 34 -0.923 -2.753 -6.292 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.574 -1.731 -5.374 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.393 -2.221 -6.840 1.00 0.00 C ATOM 0 H LEU A 34 -2.446 -5.688 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 34 0.168 -4.964 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.593 -4.293 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.120 -3.940 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.595 -2.936 -7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.724 -0.798 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.537 -2.111 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.929 -1.551 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.216 -1.281 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.089 -2.054 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.819 -2.947 -7.533 1.00 0.00 H new ATOM 500 N SER A 35 -0.183 -7.111 -4.842 1.00 0.00 N ATOM 501 CA SER A 35 0.520 -8.108 -4.043 1.00 0.00 C ATOM 502 C SER A 35 1.603 -8.799 -4.866 1.00 0.00 C ATOM 503 O SER A 35 2.601 -9.277 -4.325 1.00 0.00 O ATOM 504 CB SER A 35 -0.465 -9.146 -3.501 1.00 0.00 C ATOM 505 OG SER A 35 -0.986 -8.748 -2.245 1.00 0.00 O ATOM 0 H SER A 35 -1.196 -7.111 -4.721 1.00 0.00 H new ATOM 0 HA SER A 35 0.995 -7.597 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.281 -9.282 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.035 -10.109 -3.402 1.00 0.00 H new ATOM 0 HG SER A 35 -0.273 -8.772 -1.573 1.00 0.00 H new ATOM 511 N LYS A 36 1.398 -8.849 -6.178 1.00 0.00 N ATOM 512 CA LYS A 36 2.356 -9.481 -7.078 1.00 0.00 C ATOM 513 C LYS A 36 3.544 -8.561 -7.339 1.00 0.00 C ATOM 514 O LYS A 36 4.694 -9.000 -7.328 1.00 0.00 O ATOM 515 CB LYS A 36 1.679 -9.845 -8.401 1.00 0.00 C ATOM 516 CG LYS A 36 1.070 -11.237 -8.410 1.00 0.00 C ATOM 517 CD LYS A 36 2.131 -12.308 -8.596 1.00 0.00 C ATOM 518 CE LYS A 36 2.377 -12.599 -10.068 1.00 0.00 C ATOM 519 NZ LYS A 36 1.412 -13.596 -10.607 1.00 0.00 N ATOM 0 H LYS A 36 0.577 -8.460 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 36 2.721 -10.391 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.898 -9.115 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.410 -9.772 -9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.538 -11.409 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.335 -11.308 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.061 -11.986 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.819 -13.222 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.299 -11.674 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.393 -12.970 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.614 -13.766 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.503 -14.488 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.443 -13.232 -10.505 1.00 0.00 H new ATOM 533 N GLN A 37 3.259 -7.284 -7.573 1.00 0.00 N ATOM 534 CA GLN A 37 4.306 -6.304 -7.837 1.00 0.00 C ATOM 535 C GLN A 37 5.033 -5.925 -6.551 1.00 0.00 C ATOM 536 O GLN A 37 6.259 -6.008 -6.471 1.00 0.00 O ATOM 537 CB GLN A 37 3.711 -5.054 -8.487 1.00 0.00 C ATOM 538 CG GLN A 37 3.367 -5.238 -9.956 1.00 0.00 C ATOM 539 CD GLN A 37 1.999 -5.859 -10.162 1.00 0.00 C ATOM 540 OE1 GLN A 37 1.885 -7.021 -10.552 1.00 0.00 O ATOM 541 NE2 GLN A 37 0.952 -5.086 -9.899 1.00 0.00 N ATOM 0 H GLN A 37 2.312 -6.904 -7.585 1.00 0.00 H new ATOM 0 HA GLN A 37 5.026 -6.754 -8.521 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.810 -4.766 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.419 -4.231 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.402 -4.271 -10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.122 -5.868 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.093 -4.128 -9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.007 -5.450 -10.018 1.00 0.00 H new ATOM 550 N LEU A 38 4.270 -5.509 -5.546 1.00 0.00 N ATOM 551 CA LEU A 38 4.841 -5.117 -4.262 1.00 0.00 C ATOM 552 C LEU A 38 5.452 -6.318 -3.549 1.00 0.00 C ATOM 553 O LEU A 38 6.287 -6.165 -2.657 1.00 0.00 O ATOM 554 CB LEU A 38 3.770 -4.475 -3.379 1.00 0.00 C ATOM 555 CG LEU A 38 2.823 -3.498 -4.076 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.825 -2.922 -3.084 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.609 -2.384 -4.752 1.00 0.00 C ATOM 0 H LEU A 38 3.254 -5.434 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 38 5.630 -4.389 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.174 -5.269 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.267 -3.949 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 38 2.270 -4.042 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.159 -2.229 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.239 -3.730 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.360 -2.393 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.919 -1.698 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.189 -1.842 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.283 -2.813 -5.493 1.00 0.00 H new ATOM 569 N ASP A 39 5.031 -7.514 -3.947 1.00 0.00 N ATOM 570 CA ASP A 39 5.539 -8.742 -3.348 1.00 0.00 C ATOM 571 C ASP A 39 5.164 -8.822 -1.872 1.00 0.00 C ATOM 572 O ASP A 39 5.852 -9.467 -1.080 1.00 0.00 O ATOM 573 CB ASP A 39 7.058 -8.822 -3.506 1.00 0.00 C ATOM 574 CG ASP A 39 7.471 -9.499 -4.798 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.641 -10.232 -5.376 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.624 -9.295 -5.233 1.00 0.00 O ATOM 0 H ASP A 39 4.339 -7.659 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 39 5.083 -9.585 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.477 -7.816 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.480 -9.368 -2.662 1.00 0.00 H new ATOM 581 N TRP A 40 4.070 -8.162 -1.508 1.00 0.00 N ATOM 582 CA TRP A 40 3.605 -8.158 -0.126 1.00 0.00 C ATOM 583 C TRP A 40 2.246 -8.839 -0.007 1.00 0.00 C ATOM 584 O TRP A 40 1.636 -9.208 -1.011 1.00 0.00 O ATOM 585 CB TRP A 40 3.518 -6.724 0.400 1.00 0.00 C ATOM 586 CG TRP A 40 4.748 -5.914 0.121 1.00 0.00 C ATOM 587 CD1 TRP A 40 6.003 -6.389 -0.130 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.839 -4.486 0.065 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.870 -5.343 -0.338 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.180 -4.165 -0.224 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.918 -3.448 0.230 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.619 -2.850 -0.351 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.356 -2.143 0.104 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.696 -1.853 -0.184 1.00 0.00 C ATOM 0 H TRP A 40 3.489 -7.623 -2.150 1.00 0.00 H new ATOM 0 HA TRP A 40 4.324 -8.715 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.657 -6.231 -0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.344 -6.749 1.476 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.275 -7.434 -0.161 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.865 -5.430 -0.544 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.883 -3.662 0.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.651 -2.624 -0.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.653 -1.333 0.230 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.007 -0.823 -0.276 1.00 0.00 H new ATOM 605 N ASP A 41 1.777 -9.002 1.225 1.00 0.00 N ATOM 606 CA ASP A 41 0.488 -9.638 1.475 1.00 0.00 C ATOM 607 C ASP A 41 -0.659 -8.696 1.125 1.00 0.00 C ATOM 608 O ASP A 41 -0.572 -7.487 1.339 1.00 0.00 O ATOM 609 CB ASP A 41 0.383 -10.069 2.939 1.00 0.00 C ATOM 610 CG ASP A 41 -0.503 -11.285 3.122 1.00 0.00 C ATOM 611 OD1 ASP A 41 -0.451 -12.191 2.264 1.00 0.00 O ATOM 612 OD2 ASP A 41 -1.249 -11.331 4.123 1.00 0.00 O ATOM 0 H ASP A 41 2.270 -8.703 2.066 1.00 0.00 H new ATOM 0 HA ASP A 41 0.416 -10.520 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.379 -10.288 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.012 -9.243 3.531 1.00 0.00 H new ATOM 617 N VAL A 42 -1.735 -9.258 0.583 1.00 0.00 N ATOM 618 CA VAL A 42 -2.901 -8.469 0.203 1.00 0.00 C ATOM 619 C VAL A 42 -3.230 -7.428 1.267 1.00 0.00 C ATOM 620 O VAL A 42 -3.760 -6.360 0.961 1.00 0.00 O ATOM 621 CB VAL A 42 -4.134 -9.363 -0.024 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.353 -8.517 -0.360 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.861 -10.379 -1.123 1.00 0.00 C ATOM 0 H VAL A 42 -1.823 -10.257 0.397 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.651 -7.964 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.341 -9.906 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.214 -9.166 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.559 -7.833 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.160 -7.945 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.743 -11.002 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.627 -9.857 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.017 -11.007 -0.837 1.00 0.00 H new ATOM 633 N ARG A 43 -2.912 -7.746 2.517 1.00 0.00 N ATOM 634 CA ARG A 43 -3.174 -6.839 3.628 1.00 0.00 C ATOM 635 C ARG A 43 -2.018 -5.861 3.816 1.00 0.00 C ATOM 636 O ARG A 43 -2.228 -4.683 4.105 1.00 0.00 O ATOM 637 CB ARG A 43 -3.404 -7.629 4.917 1.00 0.00 C ATOM 638 CG ARG A 43 -4.569 -8.602 4.836 1.00 0.00 C ATOM 639 CD ARG A 43 -5.903 -7.874 4.830 1.00 0.00 C ATOM 640 NE ARG A 43 -7.025 -8.788 4.633 1.00 0.00 N ATOM 641 CZ ARG A 43 -7.481 -9.606 5.575 1.00 0.00 C ATOM 642 NH1 ARG A 43 -6.914 -9.623 6.774 1.00 0.00 N ATOM 643 NH2 ARG A 43 -8.506 -10.409 5.320 1.00 0.00 N ATOM 0 H ARG A 43 -2.472 -8.626 2.786 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.074 -6.270 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.497 -8.181 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.582 -6.930 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.478 -9.205 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.531 -9.288 5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.030 -7.342 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.903 -7.124 4.039 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.484 -8.799 3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.126 -9.007 6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.266 -10.252 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.945 -10.399 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.855 -11.036 6.045 1.00 0.00 H new ATOM 657 N SER A 44 -0.796 -6.359 3.651 1.00 0.00 N ATOM 658 CA SER A 44 0.394 -5.531 3.808 1.00 0.00 C ATOM 659 C SER A 44 0.321 -4.300 2.910 1.00 0.00 C ATOM 660 O SER A 44 0.960 -3.283 3.181 1.00 0.00 O ATOM 661 CB SER A 44 1.650 -6.341 3.480 1.00 0.00 C ATOM 662 OG SER A 44 1.829 -7.400 4.404 1.00 0.00 O ATOM 0 H SER A 44 -0.605 -7.331 3.409 1.00 0.00 H new ATOM 0 HA SER A 44 0.443 -5.200 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.573 -6.744 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.523 -5.688 3.497 1.00 0.00 H new ATOM 0 HG SER A 44 2.637 -7.904 4.172 1.00 0.00 H new ATOM 668 N ILE A 45 -0.463 -4.399 1.842 1.00 0.00 N ATOM 669 CA ILE A 45 -0.622 -3.294 0.906 1.00 0.00 C ATOM 670 C ILE A 45 -1.473 -2.181 1.507 1.00 0.00 C ATOM 671 O ILE A 45 -1.041 -1.032 1.592 1.00 0.00 O ATOM 672 CB ILE A 45 -1.265 -3.761 -0.413 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.454 -4.906 -1.024 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.371 -2.600 -1.391 1.00 0.00 C ATOM 675 CD1 ILE A 45 -0.999 -5.393 -2.348 1.00 0.00 C ATOM 0 H ILE A 45 -0.998 -5.234 1.604 1.00 0.00 H new ATOM 0 HA ILE A 45 0.377 -2.912 0.698 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.270 -4.125 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.576 -4.577 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.430 -5.739 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.827 -2.946 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.986 -1.812 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.375 -2.209 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.375 -6.205 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.019 -5.753 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.997 -4.573 -3.066 1.00 0.00 H new ATOM 687 N GLN A 46 -2.686 -2.531 1.925 1.00 0.00 N ATOM 688 CA GLN A 46 -3.598 -1.562 2.520 1.00 0.00 C ATOM 689 C GLN A 46 -2.852 -0.617 3.457 1.00 0.00 C ATOM 690 O GLN A 46 -3.097 0.589 3.462 1.00 0.00 O ATOM 691 CB GLN A 46 -4.713 -2.280 3.282 1.00 0.00 C ATOM 692 CG GLN A 46 -5.637 -3.090 2.387 1.00 0.00 C ATOM 693 CD GLN A 46 -6.999 -3.321 3.011 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.639 -2.388 3.497 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.451 -4.570 3.001 1.00 0.00 N ATOM 0 H GLN A 46 -3.059 -3.478 1.862 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.039 -0.974 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.267 -2.942 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.303 -1.543 3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.761 -2.573 1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.174 -4.052 2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.888 -5.313 2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.362 -4.786 3.407 1.00 0.00 H new ATOM 704 N ARG A 47 -1.942 -1.174 4.250 1.00 0.00 N ATOM 705 CA ARG A 47 -1.162 -0.382 5.193 1.00 0.00 C ATOM 706 C ARG A 47 -0.571 0.848 4.510 1.00 0.00 C ATOM 707 O ARG A 47 -0.585 1.946 5.067 1.00 0.00 O ATOM 708 CB ARG A 47 -0.043 -1.229 5.800 1.00 0.00 C ATOM 709 CG ARG A 47 -0.528 -2.222 6.843 1.00 0.00 C ATOM 710 CD ARG A 47 0.634 -2.923 7.529 1.00 0.00 C ATOM 711 NE ARG A 47 0.192 -3.747 8.651 1.00 0.00 N ATOM 712 CZ ARG A 47 0.980 -4.097 9.661 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.244 -3.696 9.690 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.504 -4.849 10.646 1.00 0.00 N ATOM 0 H ARG A 47 -1.727 -2.171 4.258 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.828 -0.050 5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.464 -1.772 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.695 -0.568 6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.132 -1.703 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.173 -2.963 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.159 -3.547 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.347 -2.179 7.885 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.775 -4.071 8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.613 -3.117 8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.847 -3.966 10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.468 -5.158 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.110 -5.117 11.421 1.00 0.00 H new ATOM 728 N TRP A 48 -0.052 0.656 3.303 1.00 0.00 N ATOM 729 CA TRP A 48 0.545 1.749 2.544 1.00 0.00 C ATOM 730 C TRP A 48 -0.509 2.778 2.151 1.00 0.00 C ATOM 731 O TRP A 48 -0.282 3.984 2.253 1.00 0.00 O ATOM 732 CB TRP A 48 1.240 1.210 1.293 1.00 0.00 C ATOM 733 CG TRP A 48 2.009 2.255 0.544 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.342 2.531 0.657 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.491 3.165 -0.433 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.683 3.558 -0.191 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.565 3.963 -0.871 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.224 3.381 -0.981 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.409 4.961 -1.830 1.00 0.00 C ATOM 740 CZ3 TRP A 48 0.070 4.372 -1.932 1.00 0.00 C ATOM 741 CH2 TRP A 48 1.157 5.151 -2.349 1.00 0.00 C ATOM 0 H TRP A 48 -0.032 -0.247 2.828 1.00 0.00 H new ATOM 0 HA TRP A 48 1.284 2.237 3.179 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.918 0.407 1.581 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.492 0.774 0.630 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.027 2.018 1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.617 3.954 -0.297 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.620 2.784 -0.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.246 5.563 -2.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.905 4.549 -2.361 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.004 5.917 -3.095 1.00 0.00 H new ATOM 752 N PHE A 49 -1.662 2.295 1.702 1.00 0.00 N ATOM 753 CA PHE A 49 -2.752 3.174 1.292 1.00 0.00 C ATOM 754 C PHE A 49 -3.285 3.969 2.481 1.00 0.00 C ATOM 755 O PHE A 49 -3.200 5.197 2.508 1.00 0.00 O ATOM 756 CB PHE A 49 -3.883 2.360 0.660 1.00 0.00 C ATOM 757 CG PHE A 49 -3.641 2.017 -0.782 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.872 2.952 -1.778 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.183 0.760 -1.142 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.652 2.640 -3.106 1.00 0.00 C ATOM 761 CE2 PHE A 49 -2.960 0.442 -2.468 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.194 1.383 -3.451 1.00 0.00 C ATOM 0 H PHE A 49 -1.867 1.300 1.612 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.362 3.875 0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.017 1.439 1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.813 2.922 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.228 3.937 -1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.998 0.020 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.838 3.377 -3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.603 -0.542 -2.735 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.019 1.137 -4.488 1.00 0.00 H new ATOM 772 N ARG A 50 -3.835 3.260 3.460 1.00 0.00 N ATOM 773 CA ARG A 50 -4.384 3.898 4.651 1.00 0.00 C ATOM 774 C ARG A 50 -3.378 4.871 5.259 1.00 0.00 C ATOM 775 O ARG A 50 -3.749 5.941 5.740 1.00 0.00 O ATOM 776 CB ARG A 50 -4.778 2.842 5.686 1.00 0.00 C ATOM 777 CG ARG A 50 -3.600 2.048 6.225 1.00 0.00 C ATOM 778 CD ARG A 50 -4.060 0.808 6.974 1.00 0.00 C ATOM 779 NE ARG A 50 -3.107 0.405 8.005 1.00 0.00 N ATOM 780 CZ ARG A 50 -3.407 -0.420 9.001 1.00 0.00 C ATOM 781 NH1 ARG A 50 -4.628 -0.928 9.101 1.00 0.00 N ATOM 782 NH2 ARG A 50 -2.485 -0.739 9.901 1.00 0.00 N ATOM 0 H ARG A 50 -3.913 2.243 3.453 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.272 4.457 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.286 3.332 6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.494 2.154 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.949 1.756 5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.009 2.678 6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.030 1.001 7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.198 -0.011 6.268 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.159 0.778 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.339 -0.685 8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.856 -1.562 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.545 -0.350 9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.717 -1.373 10.666 1.00 0.00 H new ATOM 796 N GLN A 51 -2.105 4.491 5.233 1.00 0.00 N ATOM 797 CA GLN A 51 -1.046 5.330 5.782 1.00 0.00 C ATOM 798 C GLN A 51 -0.870 6.597 4.952 1.00 0.00 C ATOM 799 O GLN A 51 -0.615 7.674 5.492 1.00 0.00 O ATOM 800 CB GLN A 51 0.271 4.554 5.838 1.00 0.00 C ATOM 801 CG GLN A 51 0.398 3.658 7.059 1.00 0.00 C ATOM 802 CD GLN A 51 1.713 2.904 7.095 1.00 0.00 C ATOM 803 OE1 GLN A 51 1.797 1.757 6.653 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.749 3.545 7.622 1.00 0.00 N ATOM 0 H GLN A 51 -1.782 3.608 4.838 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.332 5.618 6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.362 3.944 4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.100 5.261 5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.306 4.264 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.426 2.945 7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.635 4.495 7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.659 3.088 7.673 1.00 0.00 H new ATOM 813 N ARG A 52 -1.006 6.461 3.637 1.00 0.00 N ATOM 814 CA ARG A 52 -0.860 7.595 2.733 1.00 0.00 C ATOM 815 C ARG A 52 -2.089 8.497 2.789 1.00 0.00 C ATOM 816 O ARG A 52 -1.987 9.682 3.110 1.00 0.00 O ATOM 817 CB ARG A 52 -0.638 7.106 1.300 1.00 0.00 C ATOM 818 CG ARG A 52 0.075 8.116 0.416 1.00 0.00 C ATOM 819 CD ARG A 52 1.585 8.012 0.558 1.00 0.00 C ATOM 820 NE ARG A 52 2.259 9.243 0.155 1.00 0.00 N ATOM 821 CZ ARG A 52 3.557 9.463 0.334 1.00 0.00 C ATOM 822 NH1 ARG A 52 4.317 8.539 0.905 1.00 0.00 N ATOM 823 NH2 ARG A 52 4.097 10.610 -0.060 1.00 0.00 N ATOM 0 H ARG A 52 -1.217 5.577 3.174 1.00 0.00 H new ATOM 0 HA ARG A 52 0.008 8.172 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.057 6.184 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.603 6.863 0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.206 7.953 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.248 9.123 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.837 7.783 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.950 7.184 -0.049 1.00 0.00 H new ATOM 0 HE ARG A 52 1.703 9.974 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.906 7.656 1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.313 8.711 1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.515 11.323 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.094 10.778 0.078 1.00 0.00 H new ATOM 837 N ARG A 53 -3.248 7.930 2.475 1.00 0.00 N ATOM 838 CA ARG A 53 -4.496 8.684 2.488 1.00 0.00 C ATOM 839 C ARG A 53 -4.555 9.617 3.694 1.00 0.00 C ATOM 840 O ARG A 53 -5.151 10.691 3.631 1.00 0.00 O ATOM 841 CB ARG A 53 -5.692 7.730 2.509 1.00 0.00 C ATOM 842 CG ARG A 53 -5.753 6.803 1.306 1.00 0.00 C ATOM 843 CD ARG A 53 -6.913 5.825 1.415 1.00 0.00 C ATOM 844 NE ARG A 53 -6.538 4.609 2.132 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.377 3.607 2.368 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.633 3.676 1.948 1.00 0.00 N ATOM 847 NH2 ARG A 53 -6.962 2.533 3.027 1.00 0.00 N ATOM 0 H ARG A 53 -3.350 6.951 2.208 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.537 9.287 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.651 7.130 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.611 8.314 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.857 7.393 0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.817 6.251 1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.746 6.306 1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.262 5.564 0.416 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.579 4.525 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.957 4.500 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.275 2.905 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.997 2.476 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.608 1.764 3.207 1.00 0.00 H new ATOM 861 N ASN A 54 -3.932 9.198 4.791 1.00 0.00 N ATOM 862 CA ASN A 54 -3.914 9.996 6.012 1.00 0.00 C ATOM 863 C ASN A 54 -3.219 11.333 5.777 1.00 0.00 C ATOM 864 O ASN A 54 -3.784 12.393 6.047 1.00 0.00 O ATOM 865 CB ASN A 54 -3.210 9.232 7.135 1.00 0.00 C ATOM 866 CG ASN A 54 -3.164 10.020 8.430 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.948 10.946 8.633 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.242 9.654 9.312 1.00 0.00 N ATOM 0 H ASN A 54 -3.433 8.311 4.859 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.946 10.190 6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.725 8.287 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.194 8.989 6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.163 10.147 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.613 8.880 9.100 1.00 0.00 H new ATOM 875 N GLN A 55 -1.991 11.275 5.273 1.00 0.00 N ATOM 876 CA GLN A 55 -1.218 12.482 5.003 1.00 0.00 C ATOM 877 C GLN A 55 -1.768 13.219 3.786 1.00 0.00 C ATOM 878 O GLN A 55 -1.778 14.449 3.746 1.00 0.00 O ATOM 879 CB GLN A 55 0.254 12.131 4.779 1.00 0.00 C ATOM 880 CG GLN A 55 0.477 11.132 3.656 1.00 0.00 C ATOM 881 CD GLN A 55 1.946 10.935 3.334 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.363 11.400 2.162 1.00 0.00 O flip ATOM 883 NE2 GLN A 55 2.697 10.370 4.129 1.00 0.00 N flip ATOM 0 H GLN A 55 -1.510 10.406 5.043 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.300 13.137 5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.807 13.044 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.667 11.725 5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.038 10.174 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.045 11.474 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.334 10.028 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.682 10.244 3.898 1.00 0.00 H new ATOM 892 N GLU A 56 -2.225 12.458 2.796 1.00 0.00 N ATOM 893 CA GLU A 56 -2.775 13.040 1.578 1.00 0.00 C ATOM 894 C GLU A 56 -3.934 13.980 1.899 1.00 0.00 C ATOM 895 O GLU A 56 -5.061 13.539 2.126 1.00 0.00 O ATOM 896 CB GLU A 56 -3.247 11.938 0.627 1.00 0.00 C ATOM 897 CG GLU A 56 -2.110 11.162 -0.016 1.00 0.00 C ATOM 898 CD GLU A 56 -1.145 12.057 -0.769 1.00 0.00 C ATOM 899 OE1 GLU A 56 -1.384 12.310 -1.969 1.00 0.00 O ATOM 900 OE2 GLU A 56 -0.151 12.505 -0.160 1.00 0.00 O ATOM 0 H GLU A 56 -2.225 11.438 2.814 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.986 13.615 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.885 11.245 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.860 12.383 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.567 10.616 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.523 10.421 -0.701 1.00 0.00 H new ATOM 907 N LYS A 57 -3.649 15.277 1.918 1.00 0.00 N ATOM 908 CA LYS A 57 -4.665 16.281 2.210 1.00 0.00 C ATOM 909 C LYS A 57 -5.462 16.629 0.957 1.00 0.00 C ATOM 910 O LYS A 57 -4.939 16.642 -0.157 1.00 0.00 O ATOM 911 CB LYS A 57 -4.015 17.543 2.781 1.00 0.00 C ATOM 912 CG LYS A 57 -3.162 18.296 1.776 1.00 0.00 C ATOM 913 CD LYS A 57 -2.164 19.211 2.466 1.00 0.00 C ATOM 914 CE LYS A 57 -0.998 19.554 1.551 1.00 0.00 C ATOM 915 NZ LYS A 57 0.130 20.175 2.300 1.00 0.00 N ATOM 0 H LYS A 57 -2.721 15.658 1.734 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.349 15.865 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.795 18.207 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.397 17.268 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.629 17.585 1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.804 18.885 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.665 20.127 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.790 18.728 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.649 18.650 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.336 20.237 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.905 20.394 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.196 21.052 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.470 19.514 3.027 1.00 0.00 H new ATOM 929 N PRO A 58 -6.759 16.920 1.142 1.00 0.00 N ATOM 930 CA PRO A 58 -7.655 17.275 0.038 1.00 0.00 C ATOM 931 C PRO A 58 -7.332 18.643 -0.554 1.00 0.00 C ATOM 932 O PRO A 58 -6.915 19.556 0.160 1.00 0.00 O ATOM 933 CB PRO A 58 -9.038 17.290 0.694 1.00 0.00 C ATOM 934 CG PRO A 58 -8.772 17.570 2.133 1.00 0.00 C ATOM 935 CD PRO A 58 -7.450 16.924 2.442 1.00 0.00 C ATOM 0 HA PRO A 58 -7.571 16.577 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.677 18.055 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.548 16.336 0.564 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.736 18.643 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.563 17.162 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.893 17.487 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.578 15.914 2.832 1.00 0.00 H new ATOM 943 N SER A 59 -7.526 18.778 -1.862 1.00 0.00 N ATOM 944 CA SER A 59 -7.252 20.035 -2.550 1.00 0.00 C ATOM 945 C SER A 59 -8.224 21.122 -2.103 1.00 0.00 C ATOM 946 O SER A 59 -9.189 20.853 -1.390 1.00 0.00 O ATOM 947 CB SER A 59 -7.345 19.842 -4.064 1.00 0.00 C ATOM 948 OG SER A 59 -6.306 19.003 -4.537 1.00 0.00 O ATOM 0 H SER A 59 -7.872 18.033 -2.467 1.00 0.00 H new ATOM 0 HA SER A 59 -6.240 20.349 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.312 19.408 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.289 20.810 -4.561 1.00 0.00 H new ATOM 0 HG SER A 59 -6.389 18.894 -5.507 1.00 0.00 H new ATOM 954 N GLY A 60 -7.960 22.354 -2.528 1.00 0.00 N ATOM 955 CA GLY A 60 -8.819 23.465 -2.162 1.00 0.00 C ATOM 956 C GLY A 60 -8.034 24.683 -1.717 1.00 0.00 C ATOM 957 O GLY A 60 -6.872 24.589 -1.322 1.00 0.00 O ATOM 0 H GLY A 60 -7.167 22.602 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.446 23.732 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.487 23.154 -1.359 1.00 0.00 H new ATOM 961 N PRO A 61 -8.675 25.860 -1.780 1.00 0.00 N ATOM 962 CA PRO A 61 -8.048 27.125 -1.386 1.00 0.00 C ATOM 963 C PRO A 61 -7.824 27.216 0.120 1.00 0.00 C ATOM 964 O PRO A 61 -7.153 28.128 0.603 1.00 0.00 O ATOM 965 CB PRO A 61 -9.059 28.180 -1.841 1.00 0.00 C ATOM 966 CG PRO A 61 -10.368 27.468 -1.857 1.00 0.00 C ATOM 967 CD PRO A 61 -10.061 26.046 -2.241 1.00 0.00 C ATOM 0 HA PRO A 61 -7.059 27.245 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.079 29.030 -1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.808 28.569 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.849 27.513 -0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.053 27.926 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.742 25.344 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.151 25.892 -3.316 1.00 0.00 H new ATOM 975 N SER A 62 -8.389 26.265 0.856 1.00 0.00 N ATOM 976 CA SER A 62 -8.254 26.241 2.308 1.00 0.00 C ATOM 977 C SER A 62 -7.299 25.135 2.746 1.00 0.00 C ATOM 978 O SER A 62 -7.570 23.950 2.546 1.00 0.00 O ATOM 979 CB SER A 62 -9.621 26.040 2.965 1.00 0.00 C ATOM 980 OG SER A 62 -10.170 24.779 2.625 1.00 0.00 O ATOM 0 H SER A 62 -8.945 25.501 0.471 1.00 0.00 H new ATOM 0 HA SER A 62 -7.843 27.199 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.522 26.117 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.300 26.833 2.650 1.00 0.00 H new ATOM 0 HG SER A 62 -9.446 24.156 2.404 1.00 0.00 H new ATOM 986 N SER A 63 -6.180 25.530 3.344 1.00 0.00 N ATOM 987 CA SER A 63 -5.181 24.574 3.807 1.00 0.00 C ATOM 988 C SER A 63 -5.845 23.394 4.512 1.00 0.00 C ATOM 989 O SER A 63 -7.017 23.457 4.882 1.00 0.00 O ATOM 990 CB SER A 63 -4.191 25.256 4.753 1.00 0.00 C ATOM 991 OG SER A 63 -3.114 24.392 5.073 1.00 0.00 O ATOM 0 H SER A 63 -5.942 26.506 3.519 1.00 0.00 H new ATOM 0 HA SER A 63 -4.642 24.199 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.807 26.165 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.704 25.557 5.667 1.00 0.00 H new ATOM 0 HG SER A 63 -2.494 24.852 5.677 1.00 0.00 H new ATOM 997 N GLY A 64 -5.085 22.318 4.695 1.00 0.00 N ATOM 998 CA GLY A 64 -5.615 21.140 5.355 1.00 0.00 C ATOM 999 C GLY A 64 -6.209 20.146 4.376 1.00 0.00 C ATOM 1000 O GLY A 64 -6.484 19.001 4.735 1.00 0.00 O ATOM 0 H GLY A 64 -4.112 22.242 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.820 20.656 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.379 21.441 6.071 1.00 0.00 H new TER 1004 GLY A 64