USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -23! C(o=-28!,f=-25!) USER MOD Set 1.2: A 58 TYR OH : rot 0:sc= -4.93! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-5.5!) USER MOD Single : A 19 SER OG : rot 18:sc= 0.888 USER MOD Single : A 21 GLN : amide:sc= -2.03! C(o=-2!,f=-7.6!) USER MOD Single : A 26 HIS : no HE2:sc= -16.3! C(o=-16!,f=-15!) USER MOD Single : A 34 THR OG1 : rot -20:sc= 0.192 USER MOD Single : A 36 THR OG1 : rot -93:sc= 1.62 USER MOD Single : A 44 SER OG : rot -175:sc= -1.18 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -6:sc= -0.99 USER MOD Single : A 65 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-0.64) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= -1.25 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.150 10.169 -9.182 1.00 0.00 N ATOM 2 CA ALA A 8 -4.350 9.757 -10.368 1.00 0.00 C ATOM 3 C ALA A 8 -4.936 8.473 -10.945 1.00 0.00 C ATOM 4 O ALA A 8 -5.867 7.909 -10.406 1.00 0.00 O ATOM 5 CB ALA A 8 -2.904 9.518 -9.938 1.00 0.00 C ATOM 0 HA ALA A 8 -4.377 10.539 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.313 9.216 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.492 10.436 -9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.874 8.731 -9.185 1.00 0.00 H new ATOM 11 N THR A 9 -4.400 8.005 -12.032 1.00 0.00 N ATOM 12 CA THR A 9 -4.927 6.760 -12.637 1.00 0.00 C ATOM 13 C THR A 9 -4.106 5.587 -12.127 1.00 0.00 C ATOM 14 O THR A 9 -2.923 5.713 -11.843 1.00 0.00 O ATOM 15 CB THR A 9 -4.852 6.838 -14.162 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.878 6.033 -14.724 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.492 6.339 -14.643 1.00 0.00 C ATOM 0 H THR A 9 -3.618 8.433 -12.528 1.00 0.00 H new ATOM 0 HA THR A 9 -5.972 6.628 -12.357 1.00 0.00 H new ATOM 0 HB THR A 9 -4.983 7.874 -14.476 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.834 6.082 -15.702 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.447 6.398 -15.730 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.704 6.958 -14.213 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.352 5.304 -14.329 1.00 0.00 H new ATOM 25 N LEU A 10 -4.750 4.462 -11.985 1.00 0.00 N ATOM 26 CA LEU A 10 -4.082 3.243 -11.458 1.00 0.00 C ATOM 27 C LEU A 10 -3.523 2.408 -12.611 1.00 0.00 C ATOM 28 O LEU A 10 -4.184 1.520 -13.111 1.00 0.00 O ATOM 29 CB LEU A 10 -5.125 2.395 -10.715 1.00 0.00 C ATOM 30 CG LEU A 10 -5.644 3.127 -9.470 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.417 4.392 -9.865 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.578 2.198 -8.694 1.00 0.00 C ATOM 0 H LEU A 10 -5.735 4.336 -12.218 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.270 3.539 -10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.957 2.169 -11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.683 1.442 -10.423 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.791 3.413 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.776 4.895 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.759 5.063 -10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.266 4.119 -10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.950 2.713 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.418 1.914 -9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.033 1.304 -8.392 1.00 0.00 H new ATOM 44 N VAL A 11 -2.314 2.654 -13.030 1.00 0.00 N ATOM 45 CA VAL A 11 -1.751 1.831 -14.135 1.00 0.00 C ATOM 46 C VAL A 11 -0.880 0.735 -13.529 1.00 0.00 C ATOM 47 O VAL A 11 0.243 0.971 -13.151 1.00 0.00 O ATOM 48 CB VAL A 11 -0.905 2.698 -15.060 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.499 1.866 -16.280 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.725 3.904 -15.521 1.00 0.00 C ATOM 0 H VAL A 11 -1.698 3.379 -12.661 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.564 1.393 -14.714 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.017 3.046 -14.532 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.107 2.475 -16.950 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.078 1.001 -15.954 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.393 1.529 -16.805 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.120 4.524 -16.182 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.610 3.559 -16.056 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.030 4.489 -14.654 1.00 0.00 H new ATOM 60 N GLY A 12 -1.389 -0.458 -13.420 1.00 0.00 N ATOM 61 CA GLY A 12 -0.577 -1.554 -12.819 1.00 0.00 C ATOM 62 C GLY A 12 -0.350 -2.670 -13.844 1.00 0.00 C ATOM 63 O GLY A 12 -1.006 -3.689 -13.797 1.00 0.00 O ATOM 0 H GLY A 12 -2.328 -0.723 -13.719 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.382 -1.162 -12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.086 -1.954 -11.942 1.00 0.00 H new ATOM 67 N PRO A 13 0.581 -2.446 -14.737 1.00 0.00 N ATOM 68 CA PRO A 13 0.927 -3.429 -15.783 1.00 0.00 C ATOM 69 C PRO A 13 1.743 -4.599 -15.213 1.00 0.00 C ATOM 70 O PRO A 13 2.521 -4.455 -14.282 1.00 0.00 O ATOM 71 CB PRO A 13 1.762 -2.621 -16.777 1.00 0.00 C ATOM 72 CG PRO A 13 2.314 -1.408 -15.994 1.00 0.00 C ATOM 73 CD PRO A 13 1.366 -1.195 -14.800 1.00 0.00 C ATOM 0 HA PRO A 13 0.044 -3.882 -16.233 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.574 -3.224 -17.183 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.154 -2.295 -17.621 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.332 -1.596 -15.653 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.348 -0.521 -16.626 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.920 -1.025 -13.877 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.723 -0.328 -14.951 1.00 0.00 H new ATOM 81 N HIS A 14 1.568 -5.760 -15.786 1.00 0.00 N ATOM 82 CA HIS A 14 2.315 -6.963 -15.320 1.00 0.00 C ATOM 83 C HIS A 14 1.803 -8.191 -16.078 1.00 0.00 C ATOM 84 O HIS A 14 0.731 -8.176 -16.650 1.00 0.00 O ATOM 85 CB HIS A 14 2.096 -7.169 -13.817 1.00 0.00 C ATOM 86 CG HIS A 14 0.628 -7.096 -13.493 1.00 0.00 C ATOM 87 ND1 HIS A 14 0.095 -6.081 -12.714 1.00 0.00 N ATOM 88 CD2 HIS A 14 -0.427 -7.911 -13.817 1.00 0.00 C ATOM 89 CE1 HIS A 14 -1.225 -6.314 -12.593 1.00 0.00 C ATOM 90 NE2 HIS A 14 -1.595 -7.415 -13.247 1.00 0.00 N ATOM 0 H HIS A 14 0.932 -5.927 -16.566 1.00 0.00 H new ATOM 0 HA HIS A 14 3.379 -6.822 -15.508 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.496 -8.136 -13.513 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.639 -6.409 -13.255 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.361 -8.803 -14.423 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.902 -5.685 -12.034 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.533 -7.809 -13.315 1.00 0.00 H new ATOM 98 N GLY A 15 2.555 -9.258 -16.081 1.00 0.00 N ATOM 99 CA GLY A 15 2.100 -10.488 -16.791 1.00 0.00 C ATOM 100 C GLY A 15 1.151 -11.257 -15.874 1.00 0.00 C ATOM 101 O GLY A 15 0.234 -10.684 -15.321 1.00 0.00 O ATOM 0 H GLY A 15 3.464 -9.331 -15.623 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.596 -10.224 -17.721 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.955 -11.109 -17.057 1.00 0.00 H new ATOM 105 N PRO A 16 1.405 -12.527 -15.720 1.00 0.00 N ATOM 106 CA PRO A 16 0.590 -13.382 -14.852 1.00 0.00 C ATOM 107 C PRO A 16 0.998 -13.154 -13.399 1.00 0.00 C ATOM 108 O PRO A 16 2.145 -12.881 -13.105 1.00 0.00 O ATOM 109 CB PRO A 16 0.937 -14.799 -15.300 1.00 0.00 C ATOM 110 CG PRO A 16 2.321 -14.708 -15.989 1.00 0.00 C ATOM 111 CD PRO A 16 2.518 -13.232 -16.390 1.00 0.00 C ATOM 0 HA PRO A 16 -0.479 -13.183 -14.919 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.970 -15.479 -14.449 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.185 -15.185 -15.988 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.112 -15.035 -15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.361 -15.356 -16.865 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.486 -12.855 -16.060 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.478 -13.104 -17.472 1.00 0.00 H new ATOM 119 N LEU A 17 0.078 -13.259 -12.490 1.00 0.00 N ATOM 120 CA LEU A 17 0.426 -13.042 -11.064 1.00 0.00 C ATOM 121 C LEU A 17 0.273 -14.359 -10.308 1.00 0.00 C ATOM 122 O LEU A 17 -0.743 -14.625 -9.700 1.00 0.00 O ATOM 123 CB LEU A 17 -0.504 -11.985 -10.467 1.00 0.00 C ATOM 124 CG LEU A 17 0.300 -10.725 -10.120 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.474 -11.095 -9.211 1.00 0.00 C ATOM 126 CD2 LEU A 17 0.834 -10.087 -11.405 1.00 0.00 C ATOM 0 H LEU A 17 -0.900 -13.486 -12.671 1.00 0.00 H new ATOM 0 HA LEU A 17 1.456 -12.695 -10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.294 -11.740 -11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.989 -12.377 -9.573 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.348 -10.017 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.042 -10.197 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.096 -11.546 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.121 -11.806 -9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.405 -9.192 -11.157 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.479 -10.797 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.001 -9.817 -12.051 1.00 0.00 H new ATOM 138 N ALA A 18 1.278 -15.183 -10.341 1.00 0.00 N ATOM 139 CA ALA A 18 1.198 -16.479 -9.618 1.00 0.00 C ATOM 140 C ALA A 18 1.850 -16.308 -8.250 1.00 0.00 C ATOM 141 O ALA A 18 2.499 -15.315 -7.990 1.00 0.00 O ATOM 142 CB ALA A 18 1.935 -17.559 -10.411 1.00 0.00 C ATOM 0 H ALA A 18 2.153 -15.015 -10.838 1.00 0.00 H new ATOM 0 HA ALA A 18 0.157 -16.779 -9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.874 -18.508 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.476 -17.665 -11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.981 -17.275 -10.528 1.00 0.00 H new ATOM 148 N SER A 19 1.678 -17.254 -7.370 1.00 0.00 N ATOM 149 CA SER A 19 2.290 -17.125 -6.020 1.00 0.00 C ATOM 150 C SER A 19 3.800 -16.932 -6.160 1.00 0.00 C ATOM 151 O SER A 19 4.523 -17.841 -6.515 1.00 0.00 O ATOM 152 CB SER A 19 2.012 -18.383 -5.201 1.00 0.00 C ATOM 153 OG SER A 19 2.571 -18.220 -3.905 1.00 0.00 O ATOM 0 H SER A 19 1.142 -18.108 -7.527 1.00 0.00 H new ATOM 0 HA SER A 19 1.857 -16.263 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.938 -18.557 -5.129 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.444 -19.255 -5.691 1.00 0.00 H new ATOM 0 HG SER A 19 2.736 -17.269 -3.737 1.00 0.00 H new ATOM 159 N GLY A 20 4.275 -15.750 -5.887 1.00 0.00 N ATOM 160 CA GLY A 20 5.737 -15.484 -6.003 1.00 0.00 C ATOM 161 C GLY A 20 6.006 -14.643 -7.252 1.00 0.00 C ATOM 162 O GLY A 20 6.990 -14.833 -7.939 1.00 0.00 O ATOM 0 H GLY A 20 3.713 -14.953 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.094 -14.961 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.285 -16.425 -6.060 1.00 0.00 H new ATOM 166 N GLN A 21 5.138 -13.714 -7.554 1.00 0.00 N ATOM 167 CA GLN A 21 5.346 -12.861 -8.762 1.00 0.00 C ATOM 168 C GLN A 21 5.242 -11.383 -8.377 1.00 0.00 C ATOM 169 O GLN A 21 4.597 -11.026 -7.409 1.00 0.00 O ATOM 170 CB GLN A 21 4.278 -13.189 -9.807 1.00 0.00 C ATOM 171 CG GLN A 21 4.946 -13.412 -11.165 1.00 0.00 C ATOM 172 CD GLN A 21 5.133 -14.912 -11.404 1.00 0.00 C ATOM 173 OE1 GLN A 21 4.305 -15.709 -11.013 1.00 0.00 O ATOM 174 NE2 GLN A 21 6.195 -15.331 -12.035 1.00 0.00 N ATOM 0 H GLN A 21 4.295 -13.509 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 21 6.336 -13.058 -9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.725 -14.081 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.557 -12.374 -9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.335 -12.980 -11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.911 -12.906 -11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.891 -14.661 -12.363 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.330 -16.328 -12.200 1.00 0.00 H new ATOM 183 N LEU A 22 5.873 -10.516 -9.126 1.00 0.00 N ATOM 184 CA LEU A 22 5.805 -9.066 -8.796 1.00 0.00 C ATOM 185 C LEU A 22 5.156 -8.303 -9.956 1.00 0.00 C ATOM 186 O LEU A 22 5.536 -8.437 -11.103 1.00 0.00 O ATOM 187 CB LEU A 22 7.226 -8.537 -8.515 1.00 0.00 C ATOM 188 CG LEU A 22 7.588 -7.362 -9.442 1.00 0.00 C ATOM 189 CD1 LEU A 22 6.769 -6.126 -9.087 1.00 0.00 C ATOM 190 CD2 LEU A 22 9.062 -7.006 -9.265 1.00 0.00 C ATOM 0 H LEU A 22 6.430 -10.750 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 22 5.196 -8.917 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.296 -8.216 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.948 -9.343 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 22 7.379 -7.665 -10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.039 -5.307 -9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.708 -6.349 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.974 -5.838 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.317 -6.174 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.245 -6.720 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.678 -7.869 -9.517 1.00 0.00 H new ATOM 202 N ALA A 23 4.181 -7.491 -9.651 1.00 0.00 N ATOM 203 CA ALA A 23 3.502 -6.689 -10.706 1.00 0.00 C ATOM 204 C ALA A 23 4.164 -5.321 -10.753 1.00 0.00 C ATOM 205 O ALA A 23 4.560 -4.800 -9.742 1.00 0.00 O ATOM 206 CB ALA A 23 2.041 -6.489 -10.330 1.00 0.00 C ATOM 0 H ALA A 23 3.823 -7.348 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 23 3.573 -7.200 -11.666 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.544 -5.902 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.552 -7.459 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.979 -5.962 -9.378 1.00 0.00 H new ATOM 212 N ALA A 24 4.274 -4.703 -11.885 1.00 0.00 N ATOM 213 CA ALA A 24 4.904 -3.363 -11.881 1.00 0.00 C ATOM 214 C ALA A 24 3.799 -2.324 -11.971 1.00 0.00 C ATOM 215 O ALA A 24 2.905 -2.428 -12.777 1.00 0.00 O ATOM 216 CB ALA A 24 5.876 -3.249 -13.043 1.00 0.00 C ATOM 0 H ALA A 24 3.965 -5.054 -12.792 1.00 0.00 H new ATOM 0 HA ALA A 24 5.472 -3.201 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.337 -2.261 -13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.649 -4.011 -12.947 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.340 -3.393 -13.981 1.00 0.00 H new ATOM 222 N PHE A 25 3.818 -1.360 -11.103 1.00 0.00 N ATOM 223 CA PHE A 25 2.728 -0.351 -11.089 1.00 0.00 C ATOM 224 C PHE A 25 3.225 1.035 -11.515 1.00 0.00 C ATOM 225 O PHE A 25 4.406 1.309 -11.556 1.00 0.00 O ATOM 226 CB PHE A 25 2.198 -0.242 -9.666 1.00 0.00 C ATOM 227 CG PHE A 25 1.359 -1.443 -9.312 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.932 -2.725 -9.228 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.003 -1.266 -9.046 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.131 -3.819 -8.881 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.800 -2.362 -8.703 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.233 -3.638 -8.621 1.00 0.00 C ATOM 0 H PHE A 25 4.544 -1.225 -10.399 1.00 0.00 H new ATOM 0 HA PHE A 25 1.958 -0.672 -11.791 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.031 -0.157 -8.969 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.603 0.665 -9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.984 -2.864 -9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.440 -0.280 -9.106 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.566 -4.805 -8.814 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.852 -2.224 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.848 -4.485 -8.357 1.00 0.00 H new ATOM 242 N HIS A 26 2.299 1.916 -11.799 1.00 0.00 N ATOM 243 CA HIS A 26 2.644 3.307 -12.187 1.00 0.00 C ATOM 244 C HIS A 26 1.367 4.157 -12.066 1.00 0.00 C ATOM 245 O HIS A 26 0.292 3.751 -12.472 1.00 0.00 O ATOM 246 CB HIS A 26 3.241 3.326 -13.611 1.00 0.00 C ATOM 247 CG HIS A 26 2.319 3.968 -14.611 1.00 0.00 C ATOM 248 ND1 HIS A 26 2.011 3.367 -15.818 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.678 5.174 -14.621 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.214 4.212 -16.500 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.981 5.332 -15.814 1.00 0.00 N ATOM 0 H HIS A 26 1.298 1.720 -11.776 1.00 0.00 H new ATOM 0 HA HIS A 26 3.406 3.727 -11.530 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.189 3.864 -13.597 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.458 2.305 -13.925 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.329 2.451 -16.134 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.708 5.898 -13.820 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.813 4.008 -17.482 1.00 0.00 H new ATOM 259 N ILE A 27 1.472 5.318 -11.473 1.00 0.00 N ATOM 260 CA ILE A 27 0.267 6.185 -11.287 1.00 0.00 C ATOM 261 C ILE A 27 0.303 7.315 -12.314 1.00 0.00 C ATOM 262 O ILE A 27 1.360 7.742 -12.731 1.00 0.00 O ATOM 263 CB ILE A 27 0.273 6.780 -9.872 1.00 0.00 C ATOM 264 CG1 ILE A 27 1.008 5.849 -8.904 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.163 6.957 -9.385 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.006 4.951 -8.193 1.00 0.00 C ATOM 0 H ILE A 27 2.342 5.705 -11.108 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.637 5.591 -11.423 1.00 0.00 H new ATOM 0 HB ILE A 27 0.782 7.743 -9.904 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.732 5.240 -9.446 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.567 6.434 -8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.157 7.380 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.695 7.629 -10.058 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.664 5.989 -9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.516 4.288 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.712 5.568 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.545 4.356 -8.930 1.00 0.00 H new ATOM 278 N ALA A 28 -0.832 7.798 -12.751 1.00 0.00 N ATOM 279 CA ALA A 28 -0.798 8.890 -13.779 1.00 0.00 C ATOM 280 C ALA A 28 -1.756 10.041 -13.436 1.00 0.00 C ATOM 281 O ALA A 28 -2.944 9.853 -13.293 1.00 0.00 O ATOM 282 CB ALA A 28 -1.218 8.314 -15.124 1.00 0.00 C ATOM 0 H ALA A 28 -1.759 7.496 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 28 0.218 9.284 -13.807 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.197 9.100 -15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.530 7.518 -15.410 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.228 7.911 -15.048 1.00 0.00 H new ATOM 288 N ALA A 29 -1.248 11.243 -13.358 1.00 0.00 N ATOM 289 CA ALA A 29 -2.124 12.422 -13.079 1.00 0.00 C ATOM 290 C ALA A 29 -1.261 13.690 -13.023 1.00 0.00 C ATOM 291 O ALA A 29 -1.379 14.544 -13.880 1.00 0.00 O ATOM 292 CB ALA A 29 -2.882 12.238 -11.763 1.00 0.00 C ATOM 0 H ALA A 29 -0.259 11.461 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.859 12.515 -13.879 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.513 13.108 -11.582 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.504 11.345 -11.823 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.170 12.129 -10.945 1.00 0.00 H new ATOM 298 N PRO A 30 -0.402 13.778 -12.033 1.00 0.00 N ATOM 299 CA PRO A 30 0.498 14.933 -11.882 1.00 0.00 C ATOM 300 C PRO A 30 1.694 14.762 -12.821 1.00 0.00 C ATOM 301 O PRO A 30 2.792 14.533 -12.376 1.00 0.00 O ATOM 302 CB PRO A 30 0.937 14.857 -10.418 1.00 0.00 C ATOM 303 CG PRO A 30 0.739 13.387 -9.977 1.00 0.00 C ATOM 304 CD PRO A 30 -0.244 12.753 -10.978 1.00 0.00 C ATOM 0 HA PRO A 30 0.036 15.890 -12.125 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.979 15.158 -10.309 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.344 15.531 -9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.689 12.852 -9.976 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.344 13.337 -8.962 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.148 11.821 -11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.198 12.518 -10.505 1.00 0.00 H new ATOM 312 N LEU A 31 1.453 14.851 -14.113 1.00 0.00 N ATOM 313 CA LEU A 31 2.526 14.675 -15.157 1.00 0.00 C ATOM 314 C LEU A 31 3.946 14.649 -14.563 1.00 0.00 C ATOM 315 O LEU A 31 4.604 13.630 -14.621 1.00 0.00 O ATOM 316 CB LEU A 31 2.417 15.791 -16.200 1.00 0.00 C ATOM 317 CG LEU A 31 2.039 15.187 -17.553 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.545 14.856 -17.569 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.351 16.197 -18.661 1.00 0.00 C ATOM 0 H LEU A 31 0.529 15.044 -14.499 1.00 0.00 H new ATOM 0 HA LEU A 31 2.363 13.703 -15.623 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.667 16.519 -15.892 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.365 16.324 -16.279 1.00 0.00 H new ATOM 0 HG LEU A 31 2.611 14.274 -17.717 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.278 14.426 -18.534 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.323 14.139 -16.778 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.031 15.767 -17.406 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.083 15.771 -19.628 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.777 17.109 -18.495 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.415 16.432 -18.650 1.00 0.00 H new ATOM 331 N PRO A 32 4.392 15.757 -14.015 1.00 0.00 N ATOM 332 CA PRO A 32 5.740 15.840 -13.424 1.00 0.00 C ATOM 333 C PRO A 32 5.765 15.217 -12.021 1.00 0.00 C ATOM 334 O PRO A 32 5.658 15.909 -11.033 1.00 0.00 O ATOM 335 CB PRO A 32 5.999 17.346 -13.340 1.00 0.00 C ATOM 336 CG PRO A 32 4.610 18.029 -13.333 1.00 0.00 C ATOM 337 CD PRO A 32 3.617 17.014 -13.931 1.00 0.00 C ATOM 0 HA PRO A 32 6.489 15.304 -14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.558 17.594 -12.438 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.594 17.685 -14.188 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.319 18.305 -12.319 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.627 18.947 -13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.737 16.898 -13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.265 17.332 -14.913 1.00 0.00 H new ATOM 345 N VAL A 33 5.918 13.920 -11.919 1.00 0.00 N ATOM 346 CA VAL A 33 5.961 13.283 -10.566 1.00 0.00 C ATOM 347 C VAL A 33 7.397 12.873 -10.244 1.00 0.00 C ATOM 348 O VAL A 33 8.139 12.444 -11.105 1.00 0.00 O ATOM 349 CB VAL A 33 5.070 12.040 -10.531 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.855 11.608 -9.078 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.720 12.360 -11.160 1.00 0.00 C ATOM 0 H VAL A 33 6.014 13.279 -12.707 1.00 0.00 H new ATOM 0 HA VAL A 33 5.600 14.002 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 33 5.552 11.237 -11.088 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.220 10.722 -9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.817 11.378 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.374 12.415 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.087 11.473 -11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.240 13.165 -10.603 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.865 12.672 -12.194 1.00 0.00 H new ATOM 361 N THR A 34 7.793 13.002 -9.008 1.00 0.00 N ATOM 362 CA THR A 34 9.181 12.619 -8.626 1.00 0.00 C ATOM 363 C THR A 34 9.158 11.491 -7.591 1.00 0.00 C ATOM 364 O THR A 34 10.164 10.860 -7.334 1.00 0.00 O ATOM 365 CB THR A 34 9.904 13.840 -8.048 1.00 0.00 C ATOM 366 OG1 THR A 34 11.186 13.453 -7.575 1.00 0.00 O ATOM 367 CG2 THR A 34 9.086 14.424 -6.894 1.00 0.00 C ATOM 0 H THR A 34 7.215 13.356 -8.246 1.00 0.00 H new ATOM 0 HA THR A 34 9.709 12.266 -9.512 1.00 0.00 H new ATOM 0 HB THR A 34 10.018 14.594 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.203 12.484 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.603 15.292 -6.485 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.104 14.725 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.968 13.671 -6.114 1.00 0.00 H new ATOM 375 N ALA A 35 8.030 11.227 -6.991 1.00 0.00 N ATOM 376 CA ALA A 35 7.973 10.141 -5.977 1.00 0.00 C ATOM 377 C ALA A 35 6.530 9.914 -5.513 1.00 0.00 C ATOM 378 O ALA A 35 5.739 10.833 -5.419 1.00 0.00 O ATOM 379 CB ALA A 35 8.819 10.554 -4.781 1.00 0.00 C ATOM 0 H ALA A 35 7.150 11.715 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 35 8.349 9.217 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.789 9.769 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.849 10.711 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.425 11.479 -4.359 1.00 0.00 H new ATOM 385 N THR A 36 6.196 8.691 -5.199 1.00 0.00 N ATOM 386 CA THR A 36 4.819 8.389 -4.710 1.00 0.00 C ATOM 387 C THR A 36 4.909 7.317 -3.633 1.00 0.00 C ATOM 388 O THR A 36 5.630 6.349 -3.770 1.00 0.00 O ATOM 389 CB THR A 36 3.934 7.868 -5.845 1.00 0.00 C ATOM 390 OG1 THR A 36 3.101 6.829 -5.352 1.00 0.00 O ATOM 391 CG2 THR A 36 4.796 7.331 -6.982 1.00 0.00 C ATOM 0 H THR A 36 6.819 7.886 -5.260 1.00 0.00 H new ATOM 0 HA THR A 36 4.380 9.306 -4.316 1.00 0.00 H new ATOM 0 HB THR A 36 3.321 8.686 -6.222 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.533 5.963 -5.506 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.154 6.964 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.432 8.129 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.418 6.516 -6.613 1.00 0.00 H new ATOM 399 N ARG A 37 4.182 7.469 -2.567 1.00 0.00 N ATOM 400 CA ARG A 37 4.231 6.441 -1.499 1.00 0.00 C ATOM 401 C ARG A 37 3.095 5.443 -1.721 1.00 0.00 C ATOM 402 O ARG A 37 1.933 5.769 -1.590 1.00 0.00 O ATOM 403 CB ARG A 37 4.087 7.107 -0.130 1.00 0.00 C ATOM 404 CG ARG A 37 4.803 8.460 -0.146 1.00 0.00 C ATOM 405 CD ARG A 37 5.071 8.916 1.289 1.00 0.00 C ATOM 406 NE ARG A 37 3.798 9.380 1.906 1.00 0.00 N ATOM 407 CZ ARG A 37 3.730 10.565 2.446 1.00 0.00 C ATOM 408 NH1 ARG A 37 3.963 11.626 1.722 1.00 0.00 N ATOM 409 NH2 ARG A 37 3.427 10.689 3.708 1.00 0.00 N ATOM 0 H ARG A 37 3.559 8.257 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 37 5.187 5.919 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.033 7.244 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.511 6.468 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.742 8.379 -0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.193 9.199 -0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.492 8.096 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.806 9.721 1.295 1.00 0.00 H new ATOM 0 HE ARG A 37 2.980 8.771 1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.198 11.528 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.910 12.553 2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.243 9.859 4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.374 11.616 4.131 1.00 0.00 H new ATOM 423 N TRP A 38 3.424 4.229 -2.058 1.00 0.00 N ATOM 424 CA TRP A 38 2.364 3.207 -2.293 1.00 0.00 C ATOM 425 C TRP A 38 2.137 2.422 -1.010 1.00 0.00 C ATOM 426 O TRP A 38 2.755 2.663 0.008 1.00 0.00 O ATOM 427 CB TRP A 38 2.804 2.208 -3.366 1.00 0.00 C ATOM 428 CG TRP A 38 3.107 2.892 -4.652 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.045 3.848 -4.833 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.500 2.663 -5.951 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.059 4.213 -6.165 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.123 3.511 -6.895 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.478 1.807 -6.397 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.750 3.507 -8.237 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.097 1.804 -7.745 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.734 2.651 -8.665 1.00 0.00 C ATOM 0 H TRP A 38 4.381 3.898 -2.181 1.00 0.00 H new ATOM 0 HA TRP A 38 1.458 3.722 -2.613 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.686 1.668 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.018 1.469 -3.521 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.680 4.259 -4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.685 4.915 -6.560 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.984 1.149 -5.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.243 4.161 -8.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.308 1.146 -8.078 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.438 2.640 -9.704 1.00 0.00 H new ATOM 447 N ASP A 39 1.282 1.456 -1.076 1.00 0.00 N ATOM 448 CA ASP A 39 1.024 0.591 0.093 1.00 0.00 C ATOM 449 C ASP A 39 0.602 -0.759 -0.461 1.00 0.00 C ATOM 450 O ASP A 39 -0.496 -0.921 -0.954 1.00 0.00 O ATOM 451 CB ASP A 39 -0.078 1.183 0.970 1.00 0.00 C ATOM 452 CG ASP A 39 0.483 1.453 2.366 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.546 0.521 3.149 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.848 2.587 2.626 1.00 0.00 O ATOM 0 H ASP A 39 0.739 1.224 -1.908 1.00 0.00 H new ATOM 0 HA ASP A 39 1.911 0.500 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.452 2.107 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.921 0.494 1.030 1.00 0.00 H new ATOM 459 N PHE A 40 1.475 -1.723 -0.435 1.00 0.00 N ATOM 460 CA PHE A 40 1.107 -3.039 -1.020 1.00 0.00 C ATOM 461 C PHE A 40 0.256 -3.835 -0.038 1.00 0.00 C ATOM 462 O PHE A 40 -0.884 -4.154 -0.309 1.00 0.00 O ATOM 463 CB PHE A 40 2.353 -3.859 -1.359 1.00 0.00 C ATOM 464 CG PHE A 40 3.367 -3.052 -2.141 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.000 -1.871 -2.799 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.685 -3.516 -2.226 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.950 -1.160 -3.541 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.635 -2.801 -2.962 1.00 0.00 C ATOM 469 CZ PHE A 40 5.267 -1.624 -3.620 1.00 0.00 C ATOM 0 H PHE A 40 2.414 -1.660 -0.041 1.00 0.00 H new ATOM 0 HA PHE A 40 0.544 -2.845 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.810 -4.221 -0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.063 -4.736 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.984 -1.509 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.969 -4.428 -1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.666 -0.252 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.653 -3.158 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.000 -1.072 -4.190 1.00 0.00 H new ATOM 479 N GLY A 41 0.806 -4.183 1.090 1.00 0.00 N ATOM 480 CA GLY A 41 0.030 -4.987 2.069 1.00 0.00 C ATOM 481 C GLY A 41 0.396 -6.467 1.904 1.00 0.00 C ATOM 482 O GLY A 41 -0.211 -7.335 2.500 1.00 0.00 O ATOM 0 H GLY A 41 1.756 -3.946 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.248 -4.656 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.039 -4.844 1.910 1.00 0.00 H new ATOM 486 N ASP A 42 1.407 -6.759 1.123 1.00 0.00 N ATOM 487 CA ASP A 42 1.833 -8.169 0.948 1.00 0.00 C ATOM 488 C ASP A 42 2.933 -8.418 1.972 1.00 0.00 C ATOM 489 O ASP A 42 2.673 -8.564 3.150 1.00 0.00 O ATOM 490 CB ASP A 42 2.354 -8.401 -0.486 1.00 0.00 C ATOM 491 CG ASP A 42 3.033 -7.135 -1.041 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.801 -6.516 -0.313 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.784 -6.814 -2.190 1.00 0.00 O ATOM 0 H ASP A 42 1.953 -6.074 0.600 1.00 0.00 H new ATOM 0 HA ASP A 42 1.000 -8.856 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.063 -9.229 -0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.526 -8.688 -1.135 1.00 0.00 H new ATOM 498 N GLY A 43 4.156 -8.410 1.552 1.00 0.00 N ATOM 499 CA GLY A 43 5.258 -8.581 2.515 1.00 0.00 C ATOM 500 C GLY A 43 5.642 -7.192 3.026 1.00 0.00 C ATOM 501 O GLY A 43 6.098 -7.030 4.140 1.00 0.00 O ATOM 0 H GLY A 43 4.440 -8.292 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.949 -9.222 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.111 -9.064 2.039 1.00 0.00 H new ATOM 505 N SER A 44 5.445 -6.182 2.211 1.00 0.00 N ATOM 506 CA SER A 44 5.782 -4.796 2.640 1.00 0.00 C ATOM 507 C SER A 44 4.511 -3.941 2.641 1.00 0.00 C ATOM 508 O SER A 44 3.761 -3.917 1.683 1.00 0.00 O ATOM 509 CB SER A 44 6.795 -4.192 1.668 1.00 0.00 C ATOM 510 OG SER A 44 7.582 -5.232 1.103 1.00 0.00 O ATOM 0 H SER A 44 5.065 -6.263 1.268 1.00 0.00 H new ATOM 0 HA SER A 44 6.209 -4.821 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.278 -3.643 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.434 -3.478 2.188 1.00 0.00 H new ATOM 0 HG SER A 44 8.283 -4.843 0.540 1.00 0.00 H new ATOM 516 N ALA A 45 4.262 -3.239 3.712 1.00 0.00 N ATOM 517 CA ALA A 45 3.046 -2.383 3.776 1.00 0.00 C ATOM 518 C ALA A 45 3.312 -1.062 3.054 1.00 0.00 C ATOM 519 O ALA A 45 2.996 -0.902 1.887 1.00 0.00 O ATOM 520 CB ALA A 45 2.689 -2.114 5.240 1.00 0.00 C ATOM 0 H ALA A 45 4.849 -3.222 4.546 1.00 0.00 H new ATOM 0 HA ALA A 45 2.214 -2.893 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.799 -1.487 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.495 -3.059 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.519 -1.604 5.729 1.00 0.00 H new ATOM 526 N GLU A 46 3.888 -0.124 3.752 1.00 0.00 N ATOM 527 CA GLU A 46 4.193 1.211 3.153 1.00 0.00 C ATOM 528 C GLU A 46 5.128 1.047 1.955 1.00 0.00 C ATOM 529 O GLU A 46 5.850 0.076 1.847 1.00 0.00 O ATOM 530 CB GLU A 46 4.868 2.096 4.201 1.00 0.00 C ATOM 531 CG GLU A 46 3.993 3.319 4.474 1.00 0.00 C ATOM 532 CD GLU A 46 4.873 4.567 4.549 1.00 0.00 C ATOM 533 OE1 GLU A 46 5.508 4.882 3.556 1.00 0.00 O ATOM 534 OE2 GLU A 46 4.897 5.188 5.600 1.00 0.00 O ATOM 0 H GLU A 46 4.166 -0.225 4.728 1.00 0.00 H new ATOM 0 HA GLU A 46 3.263 1.673 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.023 1.534 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.851 2.410 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.250 3.432 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.448 3.188 5.409 1.00 0.00 H new ATOM 541 N VAL A 47 5.103 1.984 1.043 1.00 0.00 N ATOM 542 CA VAL A 47 5.970 1.873 -0.165 1.00 0.00 C ATOM 543 C VAL A 47 6.528 3.237 -0.568 1.00 0.00 C ATOM 544 O VAL A 47 5.814 4.215 -0.624 1.00 0.00 O ATOM 545 CB VAL A 47 5.130 1.353 -1.325 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.006 1.204 -2.565 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.536 -0.003 -0.962 1.00 0.00 C ATOM 0 H VAL A 47 4.520 2.820 1.083 1.00 0.00 H new ATOM 0 HA VAL A 47 6.796 1.200 0.066 1.00 0.00 H new ATOM 0 HB VAL A 47 4.325 2.059 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.403 0.832 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.429 2.173 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.812 0.500 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.936 -0.372 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.340 -0.709 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.906 0.100 -0.078 1.00 0.00 H new ATOM 557 N ASP A 48 7.791 3.288 -0.896 1.00 0.00 N ATOM 558 CA ASP A 48 8.409 4.567 -1.350 1.00 0.00 C ATOM 559 C ASP A 48 8.856 4.375 -2.802 1.00 0.00 C ATOM 560 O ASP A 48 9.930 3.876 -3.070 1.00 0.00 O ATOM 561 CB ASP A 48 9.619 4.894 -0.473 1.00 0.00 C ATOM 562 CG ASP A 48 9.144 5.416 0.886 1.00 0.00 C ATOM 563 OD1 ASP A 48 7.968 5.724 1.005 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.964 5.498 1.785 1.00 0.00 O ATOM 0 H ASP A 48 8.427 2.491 -0.868 1.00 0.00 H new ATOM 0 HA ASP A 48 7.696 5.388 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.233 4.004 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.244 5.641 -0.962 1.00 0.00 H new ATOM 569 N ALA A 49 8.019 4.730 -3.739 1.00 0.00 N ATOM 570 CA ALA A 49 8.370 4.526 -5.177 1.00 0.00 C ATOM 571 C ALA A 49 8.953 5.796 -5.802 1.00 0.00 C ATOM 572 O ALA A 49 8.616 6.906 -5.431 1.00 0.00 O ATOM 573 CB ALA A 49 7.109 4.135 -5.938 1.00 0.00 C ATOM 0 H ALA A 49 7.106 5.153 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 49 9.124 3.741 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.351 3.983 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.704 3.212 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.368 4.930 -5.847 1.00 0.00 H new ATOM 579 N ALA A 50 9.816 5.624 -6.774 1.00 0.00 N ATOM 580 CA ALA A 50 10.430 6.791 -7.465 1.00 0.00 C ATOM 581 C ALA A 50 9.486 7.264 -8.575 1.00 0.00 C ATOM 582 O ALA A 50 8.777 6.470 -9.182 1.00 0.00 O ATOM 583 CB ALA A 50 11.770 6.377 -8.077 1.00 0.00 C ATOM 0 H ALA A 50 10.121 4.714 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 50 10.595 7.598 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.219 7.232 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.438 6.030 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.609 5.574 -8.796 1.00 0.00 H new ATOM 589 N GLY A 51 9.457 8.550 -8.836 1.00 0.00 N ATOM 590 CA GLY A 51 8.544 9.080 -9.890 1.00 0.00 C ATOM 591 C GLY A 51 7.166 8.475 -9.663 1.00 0.00 C ATOM 592 O GLY A 51 6.876 8.011 -8.582 1.00 0.00 O ATOM 0 H GLY A 51 10.027 9.252 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.496 10.168 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.915 8.822 -10.882 1.00 0.00 H new ATOM 596 N PRO A 52 6.359 8.472 -10.681 1.00 0.00 N ATOM 597 CA PRO A 52 5.020 7.886 -10.605 1.00 0.00 C ATOM 598 C PRO A 52 5.083 6.382 -10.913 1.00 0.00 C ATOM 599 O PRO A 52 4.249 5.869 -11.629 1.00 0.00 O ATOM 600 CB PRO A 52 4.256 8.616 -11.711 1.00 0.00 C ATOM 601 CG PRO A 52 5.320 9.124 -12.717 1.00 0.00 C ATOM 602 CD PRO A 52 6.682 9.071 -11.990 1.00 0.00 C ATOM 0 HA PRO A 52 4.560 7.988 -9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.548 7.947 -12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.680 9.447 -11.302 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.335 8.501 -13.612 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.093 10.140 -13.040 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.405 8.467 -12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.115 10.065 -11.879 1.00 0.00 H new ATOM 610 N ALA A 53 6.065 5.660 -10.413 1.00 0.00 N ATOM 611 CA ALA A 53 6.114 4.205 -10.750 1.00 0.00 C ATOM 612 C ALA A 53 6.620 3.368 -9.570 1.00 0.00 C ATOM 613 O ALA A 53 7.532 3.748 -8.864 1.00 0.00 O ATOM 614 CB ALA A 53 7.039 3.996 -11.950 1.00 0.00 C ATOM 0 H ALA A 53 6.809 6.005 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 53 5.101 3.878 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.078 2.936 -12.199 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.659 4.556 -12.804 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.041 4.347 -11.703 1.00 0.00 H new ATOM 620 N ALA A 54 6.033 2.213 -9.379 1.00 0.00 N ATOM 621 CA ALA A 54 6.455 1.301 -8.274 1.00 0.00 C ATOM 622 C ALA A 54 6.284 -0.145 -8.743 1.00 0.00 C ATOM 623 O ALA A 54 6.102 -0.409 -9.914 1.00 0.00 O ATOM 624 CB ALA A 54 5.578 1.535 -7.041 1.00 0.00 C ATOM 0 H ALA A 54 5.267 1.859 -9.952 1.00 0.00 H new ATOM 0 HA ALA A 54 7.495 1.497 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.892 0.866 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.681 2.569 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.536 1.336 -7.292 1.00 0.00 H new ATOM 630 N SER A 55 6.335 -1.079 -7.838 1.00 0.00 N ATOM 631 CA SER A 55 6.163 -2.509 -8.220 1.00 0.00 C ATOM 632 C SER A 55 5.684 -3.294 -6.999 1.00 0.00 C ATOM 633 O SER A 55 6.156 -3.096 -5.899 1.00 0.00 O ATOM 634 CB SER A 55 7.480 -3.070 -8.731 1.00 0.00 C ATOM 635 OG SER A 55 8.248 -3.561 -7.640 1.00 0.00 O ATOM 0 H SER A 55 6.489 -0.914 -6.843 1.00 0.00 H new ATOM 0 HA SER A 55 5.423 -2.594 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.292 -3.871 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.035 -2.295 -9.260 1.00 0.00 H new ATOM 0 HG SER A 55 9.095 -3.923 -7.973 1.00 0.00 H new ATOM 641 N HIS A 56 4.727 -4.160 -7.179 1.00 0.00 N ATOM 642 CA HIS A 56 4.188 -4.930 -6.022 1.00 0.00 C ATOM 643 C HIS A 56 4.790 -6.332 -5.959 1.00 0.00 C ATOM 644 O HIS A 56 4.803 -7.056 -6.929 1.00 0.00 O ATOM 645 CB HIS A 56 2.680 -5.062 -6.180 1.00 0.00 C ATOM 646 CG HIS A 56 1.995 -3.920 -5.491 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.092 -2.611 -5.938 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.183 -3.881 -4.393 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.349 -1.852 -5.113 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.771 -2.580 -4.158 1.00 0.00 N ATOM 0 H HIS A 56 4.294 -4.369 -8.078 1.00 0.00 H new ATOM 0 HA HIS A 56 4.445 -4.397 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.415 -5.072 -7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.342 -6.009 -5.758 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.627 -2.285 -6.743 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.904 -4.737 -3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.235 -0.783 -5.212 1.00 0.00 H new ATOM 658 N ARG A 57 5.251 -6.732 -4.806 1.00 0.00 N ATOM 659 CA ARG A 57 5.817 -8.104 -4.661 1.00 0.00 C ATOM 660 C ARG A 57 4.729 -9.020 -4.093 1.00 0.00 C ATOM 661 O ARG A 57 4.506 -9.075 -2.901 1.00 0.00 O ATOM 662 CB ARG A 57 7.028 -8.079 -3.719 1.00 0.00 C ATOM 663 CG ARG A 57 6.640 -7.464 -2.369 1.00 0.00 C ATOM 664 CD ARG A 57 7.781 -6.581 -1.865 1.00 0.00 C ATOM 665 NE ARG A 57 8.011 -5.469 -2.831 1.00 0.00 N ATOM 666 CZ ARG A 57 9.207 -4.963 -2.972 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.944 -4.721 -1.921 1.00 0.00 N ATOM 668 NH2 ARG A 57 9.662 -4.694 -4.165 1.00 0.00 N ATOM 0 H ARG A 57 5.260 -6.168 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 57 6.146 -8.474 -5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.403 -9.092 -3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.836 -7.503 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.729 -6.875 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.429 -8.252 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.537 -6.179 -0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.690 -7.172 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 57 7.234 -5.103 -3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.586 -4.927 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.878 -4.326 -2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.084 -4.879 -4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.596 -4.299 -4.278 1.00 0.00 H new ATOM 682 N TYR A 58 4.034 -9.730 -4.938 1.00 0.00 N ATOM 683 CA TYR A 58 2.949 -10.623 -4.442 1.00 0.00 C ATOM 684 C TYR A 58 3.458 -12.061 -4.383 1.00 0.00 C ATOM 685 O TYR A 58 3.621 -12.718 -5.390 1.00 0.00 O ATOM 686 CB TYR A 58 1.753 -10.501 -5.390 1.00 0.00 C ATOM 687 CG TYR A 58 1.082 -9.184 -5.142 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.803 -8.795 -3.830 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.723 -8.361 -6.212 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.159 -7.587 -3.584 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.083 -7.145 -5.964 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.201 -6.762 -4.647 1.00 0.00 C ATOM 693 OH TYR A 58 -0.857 -5.581 -4.393 1.00 0.00 O ATOM 0 H TYR A 58 4.170 -9.731 -5.949 1.00 0.00 H new ATOM 0 HA TYR A 58 2.641 -10.334 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.083 -10.569 -6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.053 -11.320 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.087 -9.433 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.939 -8.664 -7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.062 -7.289 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.192 -6.501 -6.786 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.989 -5.481 -3.427 1.00 0.00 H new ATOM 703 N VAL A 59 3.731 -12.546 -3.199 1.00 0.00 N ATOM 704 CA VAL A 59 4.259 -13.935 -3.060 1.00 0.00 C ATOM 705 C VAL A 59 3.198 -14.879 -2.476 1.00 0.00 C ATOM 706 O VAL A 59 3.392 -16.078 -2.444 1.00 0.00 O ATOM 707 CB VAL A 59 5.479 -13.919 -2.136 1.00 0.00 C ATOM 708 CG1 VAL A 59 6.538 -12.971 -2.702 1.00 0.00 C ATOM 709 CG2 VAL A 59 5.063 -13.442 -0.742 1.00 0.00 C ATOM 0 H VAL A 59 3.611 -12.039 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 59 4.534 -14.298 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 59 5.891 -14.926 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.406 -12.960 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.839 -13.311 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.125 -11.965 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.934 -13.432 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.648 -12.436 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.311 -14.118 -0.336 1.00 0.00 H new ATOM 719 N LEU A 60 2.084 -14.374 -2.008 1.00 0.00 N ATOM 720 CA LEU A 60 1.052 -15.286 -1.436 1.00 0.00 C ATOM 721 C LEU A 60 -0.114 -15.414 -2.416 1.00 0.00 C ATOM 722 O LEU A 60 -0.451 -14.470 -3.105 1.00 0.00 O ATOM 723 CB LEU A 60 0.545 -14.718 -0.108 1.00 0.00 C ATOM 724 CG LEU A 60 0.545 -15.815 0.955 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.358 -15.354 2.165 1.00 0.00 C ATOM 726 CD2 LEU A 60 -0.893 -16.103 1.388 1.00 0.00 C ATOM 0 H LEU A 60 1.848 -13.382 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 60 1.491 -16.269 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.179 -13.890 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.462 -14.319 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 60 0.990 -16.720 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.358 -16.137 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.383 -15.147 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.914 -14.449 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.895 -16.886 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.337 -15.197 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.474 -16.432 0.526 1.00 0.00 H new ATOM 738 N PRO A 61 -0.700 -16.581 -2.447 1.00 0.00 N ATOM 739 CA PRO A 61 -1.840 -16.873 -3.331 1.00 0.00 C ATOM 740 C PRO A 61 -3.123 -16.270 -2.753 1.00 0.00 C ATOM 741 O PRO A 61 -3.499 -16.545 -1.631 1.00 0.00 O ATOM 742 CB PRO A 61 -1.903 -18.400 -3.342 1.00 0.00 C ATOM 743 CG PRO A 61 -1.189 -18.877 -2.054 1.00 0.00 C ATOM 744 CD PRO A 61 -0.281 -17.719 -1.604 1.00 0.00 C ATOM 0 HA PRO A 61 -1.732 -16.454 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.936 -18.746 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.414 -18.802 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.913 -19.126 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.604 -19.777 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.412 -17.499 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.772 -17.958 -1.752 1.00 0.00 H new ATOM 752 N GLY A 62 -3.793 -15.447 -3.511 1.00 0.00 N ATOM 753 CA GLY A 62 -5.047 -14.821 -3.007 1.00 0.00 C ATOM 754 C GLY A 62 -5.229 -13.452 -3.664 1.00 0.00 C ATOM 755 O GLY A 62 -4.919 -13.265 -4.822 1.00 0.00 O ATOM 0 H GLY A 62 -3.526 -15.181 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.901 -15.460 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.003 -14.714 -1.923 1.00 0.00 H new ATOM 759 N ARG A 63 -5.729 -12.493 -2.935 1.00 0.00 N ATOM 760 CA ARG A 63 -5.930 -11.139 -3.522 1.00 0.00 C ATOM 761 C ARG A 63 -5.281 -10.089 -2.617 1.00 0.00 C ATOM 762 O ARG A 63 -5.055 -10.318 -1.446 1.00 0.00 O ATOM 763 CB ARG A 63 -7.428 -10.849 -3.641 1.00 0.00 C ATOM 764 CG ARG A 63 -8.127 -12.019 -4.341 1.00 0.00 C ATOM 765 CD ARG A 63 -8.712 -12.972 -3.296 1.00 0.00 C ATOM 766 NE ARG A 63 -9.719 -12.253 -2.468 1.00 0.00 N ATOM 767 CZ ARG A 63 -10.856 -12.825 -2.178 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.808 -12.871 -3.068 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.038 -13.349 -0.997 1.00 0.00 N ATOM 0 H ARG A 63 -6.007 -12.589 -1.958 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.473 -11.102 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.858 -10.695 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.586 -9.929 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.919 -11.646 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.418 -12.551 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.176 -13.827 -3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.917 -13.363 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.520 -11.312 -2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.664 -12.460 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.697 -13.318 -2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.292 -13.311 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.926 -13.796 -0.769 1.00 0.00 H new ATOM 783 N TYR A 64 -4.979 -8.937 -3.154 1.00 0.00 N ATOM 784 CA TYR A 64 -4.343 -7.872 -2.326 1.00 0.00 C ATOM 785 C TYR A 64 -5.010 -6.527 -2.616 1.00 0.00 C ATOM 786 O TYR A 64 -5.541 -6.306 -3.685 1.00 0.00 O ATOM 787 CB TYR A 64 -2.865 -7.737 -2.688 1.00 0.00 C ATOM 788 CG TYR A 64 -2.091 -8.984 -2.333 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.038 -10.055 -3.233 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.387 -9.047 -1.125 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.285 -11.193 -2.920 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.627 -10.180 -0.818 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.576 -11.255 -1.715 1.00 0.00 C ATOM 794 OH TYR A 64 0.186 -12.366 -1.418 1.00 0.00 O ATOM 0 H TYR A 64 -5.145 -8.688 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.455 -8.143 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.768 -7.539 -3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.438 -6.881 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.577 -10.003 -4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.431 -8.221 -0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.251 -12.024 -3.609 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.079 -10.226 0.111 1.00 0.00 H new ATOM 0 HH TYR A 64 0.040 -13.055 -2.100 1.00 0.00 H new ATOM 804 N HIS A 65 -4.947 -5.615 -1.683 1.00 0.00 N ATOM 805 CA HIS A 65 -5.537 -4.266 -1.914 1.00 0.00 C ATOM 806 C HIS A 65 -4.391 -3.256 -2.001 1.00 0.00 C ATOM 807 O HIS A 65 -3.676 -3.031 -1.044 1.00 0.00 O ATOM 808 CB HIS A 65 -6.468 -3.894 -0.758 1.00 0.00 C ATOM 809 CG HIS A 65 -7.111 -2.564 -1.046 1.00 0.00 C ATOM 810 ND1 HIS A 65 -8.469 -2.433 -1.285 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.591 -1.297 -1.143 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.716 -1.130 -1.513 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.605 -0.393 -1.438 1.00 0.00 N ATOM 0 H HIS A 65 -4.512 -5.747 -0.770 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.117 -4.264 -2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.232 -4.660 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.907 -3.845 0.175 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.550 -1.041 -1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.695 -0.729 -1.730 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.519 0.615 -1.569 1.00 0.00 H new ATOM 821 N VAL A 66 -4.197 -2.661 -3.144 1.00 0.00 N ATOM 822 CA VAL A 66 -3.080 -1.687 -3.296 1.00 0.00 C ATOM 823 C VAL A 66 -3.578 -0.261 -3.068 1.00 0.00 C ATOM 824 O VAL A 66 -4.711 0.063 -3.346 1.00 0.00 O ATOM 825 CB VAL A 66 -2.512 -1.781 -4.713 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.365 -0.782 -4.872 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.996 -3.194 -4.965 1.00 0.00 C ATOM 0 H VAL A 66 -4.763 -2.807 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.312 -1.925 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.297 -1.549 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.961 -0.850 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.735 0.228 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.580 -1.011 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.592 -3.259 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.212 -3.429 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.815 -3.905 -4.855 1.00 0.00 H new ATOM 837 N THR A 67 -2.716 0.594 -2.591 1.00 0.00 N ATOM 838 CA THR A 67 -3.094 2.018 -2.367 1.00 0.00 C ATOM 839 C THR A 67 -1.856 2.870 -2.639 1.00 0.00 C ATOM 840 O THR A 67 -0.746 2.382 -2.591 1.00 0.00 O ATOM 841 CB THR A 67 -3.557 2.237 -0.921 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.451 2.634 -0.126 1.00 0.00 O ATOM 843 CG2 THR A 67 -4.155 0.947 -0.358 1.00 0.00 C ATOM 0 H THR A 67 -1.754 0.363 -2.344 1.00 0.00 H new ATOM 0 HA THR A 67 -3.915 2.293 -3.029 1.00 0.00 H new ATOM 0 HB THR A 67 -4.319 3.017 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.746 2.776 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.480 1.115 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.009 0.647 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.402 0.159 -0.376 1.00 0.00 H new ATOM 851 N ALA A 68 -2.015 4.129 -2.936 1.00 0.00 N ATOM 852 CA ALA A 68 -0.805 4.955 -3.213 1.00 0.00 C ATOM 853 C ALA A 68 -1.079 6.434 -2.969 1.00 0.00 C ATOM 854 O ALA A 68 -2.205 6.875 -2.892 1.00 0.00 O ATOM 855 CB ALA A 68 -0.381 4.771 -4.673 1.00 0.00 C ATOM 0 H ALA A 68 -2.910 4.615 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.013 4.626 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.504 5.375 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.152 3.721 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.192 5.085 -5.330 1.00 0.00 H new ATOM 861 N VAL A 69 -0.034 7.202 -2.876 1.00 0.00 N ATOM 862 CA VAL A 69 -0.182 8.662 -2.674 1.00 0.00 C ATOM 863 C VAL A 69 0.906 9.352 -3.494 1.00 0.00 C ATOM 864 O VAL A 69 2.068 9.022 -3.406 1.00 0.00 O ATOM 865 CB VAL A 69 -0.043 9.015 -1.188 1.00 0.00 C ATOM 866 CG1 VAL A 69 1.414 8.876 -0.745 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.505 10.457 -0.970 1.00 0.00 C ATOM 0 H VAL A 69 0.930 6.873 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.169 8.994 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.657 8.333 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.499 9.129 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.745 7.849 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.038 9.550 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.409 10.714 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.111 11.130 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.547 10.555 -1.274 1.00 0.00 H new ATOM 877 N LEU A 70 0.538 10.287 -4.317 1.00 0.00 N ATOM 878 CA LEU A 70 1.559 10.965 -5.163 1.00 0.00 C ATOM 879 C LEU A 70 2.125 12.145 -4.394 1.00 0.00 C ATOM 880 O LEU A 70 1.412 12.839 -3.704 1.00 0.00 O ATOM 881 CB LEU A 70 0.914 11.512 -6.443 1.00 0.00 C ATOM 882 CG LEU A 70 0.473 10.392 -7.394 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.475 10.293 -8.535 1.00 0.00 C ATOM 884 CD2 LEU A 70 0.392 9.048 -6.667 1.00 0.00 C ATOM 0 H LEU A 70 -0.421 10.612 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 70 2.337 10.245 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.051 12.124 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.622 12.163 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.519 10.629 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.172 9.499 -9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.509 11.241 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.463 10.068 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.077 8.274 -7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.371 8.794 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.330 9.117 -5.854 1.00 0.00 H new ATOM 896 N ALA A 71 3.393 12.404 -4.513 1.00 0.00 N ATOM 897 CA ALA A 71 3.947 13.571 -3.792 1.00 0.00 C ATOM 898 C ALA A 71 4.788 14.407 -4.732 1.00 0.00 C ATOM 899 O ALA A 71 5.896 14.065 -5.092 1.00 0.00 O ATOM 900 CB ALA A 71 4.799 13.144 -2.619 1.00 0.00 C ATOM 0 H ALA A 71 4.058 11.867 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 71 3.107 14.156 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.190 14.027 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.194 12.564 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.629 12.533 -2.975 1.00 0.00 H new ATOM 906 N LEU A 72 4.255 15.514 -5.105 1.00 0.00 N ATOM 907 CA LEU A 72 4.974 16.444 -6.006 1.00 0.00 C ATOM 908 C LEU A 72 5.487 17.623 -5.184 1.00 0.00 C ATOM 909 O LEU A 72 6.236 18.453 -5.656 1.00 0.00 O ATOM 910 CB LEU A 72 3.991 16.963 -7.042 1.00 0.00 C ATOM 911 CG LEU A 72 4.516 16.688 -8.453 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.704 17.501 -9.462 1.00 0.00 C ATOM 913 CD2 LEU A 72 5.989 17.101 -8.539 1.00 0.00 C ATOM 0 H LEU A 72 3.328 15.829 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 72 5.807 15.936 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.022 16.483 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.838 18.034 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 72 4.421 15.625 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.075 17.307 -10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.655 17.213 -9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.802 18.563 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.364 16.905 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.082 18.164 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.570 16.528 -7.817 1.00 0.00 H new ATOM 925 N GLY A 73 5.057 17.711 -3.960 1.00 0.00 N ATOM 926 CA GLY A 73 5.475 18.845 -3.093 1.00 0.00 C ATOM 927 C GLY A 73 4.293 19.805 -2.979 1.00 0.00 C ATOM 928 O GLY A 73 3.911 20.218 -1.902 1.00 0.00 O ATOM 0 H GLY A 73 4.428 17.040 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.770 18.484 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.340 19.353 -3.519 1.00 0.00 H new ATOM 932 N ALA A 74 3.701 20.146 -4.093 1.00 0.00 N ATOM 933 CA ALA A 74 2.527 21.062 -4.074 1.00 0.00 C ATOM 934 C ALA A 74 1.289 20.324 -4.603 1.00 0.00 C ATOM 935 O ALA A 74 0.193 20.849 -4.588 1.00 0.00 O ATOM 936 CB ALA A 74 2.810 22.271 -4.963 1.00 0.00 C ATOM 0 H ALA A 74 3.983 19.827 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 74 2.345 21.393 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.951 22.942 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.688 22.799 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.993 21.937 -5.984 1.00 0.00 H new ATOM 942 N GLY A 75 1.452 19.115 -5.074 1.00 0.00 N ATOM 943 CA GLY A 75 0.285 18.352 -5.605 1.00 0.00 C ATOM 944 C GLY A 75 0.415 16.876 -5.216 1.00 0.00 C ATOM 945 O GLY A 75 1.494 16.389 -4.947 1.00 0.00 O ATOM 0 H GLY A 75 2.345 18.623 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.643 18.763 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.237 18.450 -6.690 1.00 0.00 H new ATOM 949 N SER A 76 -0.679 16.166 -5.173 1.00 0.00 N ATOM 950 CA SER A 76 -0.626 14.726 -4.792 1.00 0.00 C ATOM 951 C SER A 76 -1.766 13.972 -5.488 1.00 0.00 C ATOM 952 O SER A 76 -2.536 14.540 -6.235 1.00 0.00 O ATOM 953 CB SER A 76 -0.806 14.618 -3.280 1.00 0.00 C ATOM 954 OG SER A 76 -2.188 14.726 -2.966 1.00 0.00 O ATOM 0 H SER A 76 -1.611 16.523 -5.386 1.00 0.00 H new ATOM 0 HA SER A 76 0.330 14.296 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.412 13.667 -2.922 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.244 15.405 -2.777 1.00 0.00 H new ATOM 0 HG SER A 76 -2.310 14.656 -1.996 1.00 0.00 H new ATOM 960 N ALA A 77 -1.879 12.696 -5.238 1.00 0.00 N ATOM 961 CA ALA A 77 -2.966 11.893 -5.867 1.00 0.00 C ATOM 962 C ALA A 77 -3.189 10.628 -5.033 1.00 0.00 C ATOM 963 O ALA A 77 -2.254 10.042 -4.531 1.00 0.00 O ATOM 964 CB ALA A 77 -2.559 11.507 -7.290 1.00 0.00 C ATOM 0 H ALA A 77 -1.260 12.171 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.886 12.477 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.354 10.920 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.389 12.409 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.643 10.916 -7.259 1.00 0.00 H new ATOM 970 N LEU A 78 -4.413 10.207 -4.867 1.00 0.00 N ATOM 971 CA LEU A 78 -4.669 8.987 -4.045 1.00 0.00 C ATOM 972 C LEU A 78 -4.880 7.777 -4.953 1.00 0.00 C ATOM 973 O LEU A 78 -5.580 7.843 -5.944 1.00 0.00 O ATOM 974 CB LEU A 78 -5.914 9.204 -3.184 1.00 0.00 C ATOM 975 CG LEU A 78 -5.499 9.684 -1.790 1.00 0.00 C ATOM 976 CD1 LEU A 78 -4.792 8.550 -1.045 1.00 0.00 C ATOM 977 CD2 LEU A 78 -4.547 10.874 -1.920 1.00 0.00 C ATOM 0 H LEU A 78 -5.243 10.650 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.808 8.803 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.569 9.939 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.481 8.276 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.387 9.986 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.498 8.894 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.468 7.701 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.905 8.246 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.253 11.215 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.661 10.572 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.048 11.685 -2.448 1.00 0.00 H new ATOM 989 N LEU A 79 -4.269 6.670 -4.621 1.00 0.00 N ATOM 990 CA LEU A 79 -4.417 5.453 -5.459 1.00 0.00 C ATOM 991 C LEU A 79 -5.030 4.323 -4.636 1.00 0.00 C ATOM 992 O LEU A 79 -4.943 4.302 -3.423 1.00 0.00 O ATOM 993 CB LEU A 79 -3.034 5.021 -5.948 1.00 0.00 C ATOM 994 CG LEU A 79 -2.974 4.953 -7.477 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.806 3.496 -7.910 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.248 5.531 -8.095 1.00 0.00 C ATOM 0 H LEU A 79 -3.672 6.560 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.068 5.673 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.283 5.722 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.788 4.045 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.126 5.543 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.763 3.442 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.883 3.096 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.652 2.910 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.184 5.473 -9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.111 4.960 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.359 6.573 -7.793 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.641 3.379 -5.301 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.267 2.232 -4.589 1.00 0.00 C ATOM 1010 C GLY A 80 -6.604 1.129 -5.601 1.00 0.00 C ATOM 1011 O GLY A 80 -7.683 1.102 -6.158 1.00 0.00 O ATOM 0 H GLY A 80 -5.733 3.355 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.588 1.848 -3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.171 2.558 -4.075 1.00 0.00 H new ATOM 1015 N THR A 81 -5.694 0.220 -5.849 1.00 0.00 N ATOM 1016 CA THR A 81 -5.977 -0.868 -6.836 1.00 0.00 C ATOM 1017 C THR A 81 -6.191 -2.203 -6.109 1.00 0.00 C ATOM 1018 O THR A 81 -6.257 -2.259 -4.897 1.00 0.00 O ATOM 1019 CB THR A 81 -4.802 -1.004 -7.821 1.00 0.00 C ATOM 1020 OG1 THR A 81 -4.022 -2.141 -7.479 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.919 0.243 -7.773 1.00 0.00 C ATOM 0 H THR A 81 -4.772 0.184 -5.414 1.00 0.00 H new ATOM 0 HA THR A 81 -6.883 -0.611 -7.386 1.00 0.00 H new ATOM 0 HB THR A 81 -5.203 -1.119 -8.828 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.879 -2.692 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.093 0.131 -8.475 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.510 1.118 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.524 0.370 -6.765 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.303 -3.276 -6.849 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.511 -4.618 -6.231 1.00 0.00 C ATOM 1031 C ASP A 82 -5.895 -5.678 -7.152 1.00 0.00 C ATOM 1032 O ASP A 82 -5.903 -5.532 -8.357 1.00 0.00 O ATOM 1033 CB ASP A 82 -8.012 -4.878 -6.081 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.236 -6.233 -5.408 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.300 -7.224 -6.118 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.344 -6.257 -4.193 1.00 0.00 O ATOM 0 H ASP A 82 -6.258 -3.278 -7.868 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.040 -4.659 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.470 -4.087 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.493 -4.863 -7.059 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.357 -6.740 -6.608 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.745 -7.783 -7.481 1.00 0.00 C ATOM 1043 C VAL A 83 -5.256 -9.168 -7.076 1.00 0.00 C ATOM 1044 O VAL A 83 -5.692 -9.379 -5.963 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.210 -7.754 -7.357 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.756 -6.797 -6.250 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.704 -9.150 -7.009 1.00 0.00 C ATOM 0 H VAL A 83 -5.316 -6.928 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.025 -7.576 -8.514 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.806 -7.415 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.668 -6.801 -6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.103 -5.789 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.173 -7.120 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.618 -9.132 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.140 -9.469 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.992 -9.848 -7.795 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.192 -10.115 -7.979 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.657 -11.496 -7.665 1.00 0.00 C ATOM 1059 C GLN A 84 -4.574 -12.499 -8.082 1.00 0.00 C ATOM 1060 O GLN A 84 -4.530 -12.947 -9.210 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.948 -11.785 -8.434 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.828 -10.533 -8.436 1.00 0.00 C ATOM 1063 CD GLN A 84 -9.241 -10.898 -8.895 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.658 -10.523 -9.973 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -10.002 -11.618 -8.116 1.00 0.00 N ATOM 0 H GLN A 84 -4.835 -9.987 -8.926 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.846 -11.587 -6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.717 -12.082 -9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.481 -12.617 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.861 -10.098 -7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.403 -9.779 -9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.652 -11.933 -7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.946 -11.866 -8.412 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.696 -12.847 -7.180 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.609 -13.812 -7.514 1.00 0.00 C ATOM 1076 C VAL A 85 -3.108 -15.244 -7.308 1.00 0.00 C ATOM 1077 O VAL A 85 -3.849 -15.528 -6.388 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.407 -13.530 -6.610 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.401 -14.684 -6.679 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.736 -12.243 -7.086 1.00 0.00 C ATOM 0 H VAL A 85 -3.685 -12.502 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.313 -13.697 -8.557 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.745 -13.427 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.447 -14.466 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.882 -15.606 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.052 -14.802 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.124 -12.025 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.406 -12.365 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.447 -11.419 -7.028 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.715 -16.149 -8.169 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.176 -17.563 -8.038 1.00 0.00 C ATOM 1092 C GLU A 86 -2.023 -18.457 -7.573 1.00 0.00 C ATOM 1093 O GLU A 86 -0.897 -18.021 -7.442 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.670 -18.060 -9.398 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.482 -16.960 -10.085 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.386 -17.583 -11.150 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -4.984 -18.576 -11.733 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.465 -17.057 -11.366 1.00 0.00 O ATOM 0 H GLU A 86 -2.094 -15.968 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.981 -17.605 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.823 -18.343 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.283 -18.952 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.083 -16.424 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.813 -16.231 -10.542 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.299 -19.711 -7.330 1.00 0.00 N ATOM 1106 CA ALA A 87 -1.225 -20.646 -6.884 1.00 0.00 C ATOM 1107 C ALA A 87 -1.378 -21.990 -7.605 1.00 0.00 C ATOM 1108 O ALA A 87 -0.952 -23.016 -7.112 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.336 -20.871 -5.375 1.00 0.00 C ATOM 0 H ALA A 87 -3.225 -20.129 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.253 -20.213 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.551 -21.554 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.226 -19.919 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.310 -21.301 -5.142 1.00 0.00 H new TER 1115 ALA A 87