USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 605 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 69 THR OG1 : rot 131:sc= -1.28! USER MOD Set 1.2: A 72 LYS NZ :NH3+ 155:sc= 1.07 (180deg=-0.00555) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 ASN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot 133:sc= 0.19 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.6) USER MOD Single : A 34 THR OG1 : rot 128:sc= 1.13 USER MOD Single : A 39 SER OG : rot -89:sc= -0.291! USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00935 X(o=-0.0094,f=-0.018) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0662 K(o=-0.066,f=-0.59) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -1.24 K(o=-1.2,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 2.474 -14.059 6.314 1.00 0.00 N ATOM 24 CA GLU A 4 3.479 -13.104 6.748 1.00 0.00 C ATOM 25 C GLU A 4 4.348 -12.674 5.563 1.00 0.00 C ATOM 26 O GLU A 4 4.858 -11.556 5.537 1.00 0.00 O ATOM 27 CB GLU A 4 4.335 -13.683 7.875 1.00 0.00 C ATOM 28 CG GLU A 4 4.705 -12.601 8.892 1.00 0.00 C ATOM 29 CD GLU A 4 3.997 -12.839 10.228 1.00 0.00 C ATOM 30 OE1 GLU A 4 4.520 -13.665 11.008 1.00 0.00 O ATOM 31 OE2 GLU A 4 2.950 -12.190 10.438 1.00 0.00 O ATOM 0 HA GLU A 4 2.971 -12.223 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.792 -14.486 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.242 -14.122 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.784 -12.594 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.432 -11.621 8.501 1.00 0.00 H new ATOM 38 N ALA A 5 4.491 -13.587 4.614 1.00 0.00 N ATOM 39 CA ALA A 5 5.290 -13.316 3.430 1.00 0.00 C ATOM 40 C ALA A 5 4.595 -12.248 2.584 1.00 0.00 C ATOM 41 O ALA A 5 5.169 -11.743 1.621 1.00 0.00 O ATOM 42 CB ALA A 5 5.513 -14.618 2.658 1.00 0.00 C ATOM 0 H ALA A 5 4.068 -14.515 4.640 1.00 0.00 H new ATOM 0 HA ALA A 5 6.270 -12.929 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.112 -14.416 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.036 -15.333 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.550 -15.034 2.360 1.00 0.00 H new ATOM 48 N ILE A 6 3.367 -11.935 2.975 1.00 0.00 N ATOM 49 CA ILE A 6 2.588 -10.936 2.263 1.00 0.00 C ATOM 50 C ILE A 6 2.768 -9.576 2.943 1.00 0.00 C ATOM 51 O ILE A 6 3.214 -8.619 2.314 1.00 0.00 O ATOM 52 CB ILE A 6 1.128 -11.377 2.150 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.871 -12.086 0.818 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.180 -10.194 2.361 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.620 -12.366 0.625 1.00 0.00 C ATOM 0 H ILE A 6 2.894 -12.355 3.775 1.00 0.00 H new ATOM 0 HA ILE A 6 2.946 -10.832 1.239 1.00 0.00 H new ATOM 0 HB ILE A 6 0.926 -12.097 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.238 -11.470 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.428 -13.023 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.852 -10.535 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.341 -9.771 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.374 -9.433 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.775 -12.870 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.978 -13.002 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.171 -11.425 0.632 1.00 0.00 H new ATOM 67 N LYS A 7 2.414 -9.537 4.219 1.00 0.00 N ATOM 68 CA LYS A 7 2.531 -8.311 4.991 1.00 0.00 C ATOM 69 C LYS A 7 3.957 -7.771 4.869 1.00 0.00 C ATOM 70 O LYS A 7 4.165 -6.559 4.828 1.00 0.00 O ATOM 71 CB LYS A 7 2.082 -8.542 6.435 1.00 0.00 C ATOM 72 CG LYS A 7 1.237 -7.371 6.941 1.00 0.00 C ATOM 73 CD LYS A 7 1.651 -6.968 8.357 1.00 0.00 C ATOM 74 CE LYS A 7 0.570 -6.114 9.022 1.00 0.00 C ATOM 75 NZ LYS A 7 1.001 -5.692 10.374 1.00 0.00 N ATOM 0 H LYS A 7 2.046 -10.334 4.738 1.00 0.00 H new ATOM 0 HA LYS A 7 1.865 -7.545 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.505 -9.465 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.955 -8.668 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.349 -6.520 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.183 -7.648 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.833 -7.861 8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.588 -6.412 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.364 -5.236 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.359 -6.681 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.256 -5.113 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.176 -6.533 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.875 -5.133 10.301 1.00 0.00 H new ATOM 89 N ASN A 8 4.903 -8.697 4.813 1.00 0.00 N ATOM 90 CA ASN A 8 6.304 -8.330 4.697 1.00 0.00 C ATOM 91 C ASN A 8 6.548 -7.695 3.326 1.00 0.00 C ATOM 92 O ASN A 8 7.009 -6.558 3.238 1.00 0.00 O ATOM 93 CB ASN A 8 7.208 -9.558 4.817 1.00 0.00 C ATOM 94 CG ASN A 8 8.447 -9.247 5.658 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.791 -8.103 5.905 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.098 -10.327 6.083 1.00 0.00 N ATOM 0 H ASN A 8 4.727 -9.701 4.846 1.00 0.00 H new ATOM 0 HA ASN A 8 6.537 -7.632 5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.653 -10.379 5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.512 -9.889 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.939 -10.225 6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.756 -11.257 5.840 1.00 0.00 H new ATOM 103 N GLY A 9 6.227 -8.457 2.291 1.00 0.00 N ATOM 104 CA GLY A 9 6.407 -7.984 0.929 1.00 0.00 C ATOM 105 C GLY A 9 5.620 -6.693 0.690 1.00 0.00 C ATOM 106 O GLY A 9 6.133 -5.753 0.083 1.00 0.00 O ATOM 0 H GLY A 9 5.843 -9.399 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.466 -7.810 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.078 -8.750 0.227 1.00 0.00 H new ATOM 110 N VAL A 10 4.389 -6.687 1.180 1.00 0.00 N ATOM 111 CA VAL A 10 3.527 -5.527 1.027 1.00 0.00 C ATOM 112 C VAL A 10 4.223 -4.300 1.618 1.00 0.00 C ATOM 113 O VAL A 10 3.984 -3.175 1.179 1.00 0.00 O ATOM 114 CB VAL A 10 2.162 -5.803 1.660 1.00 0.00 C ATOM 115 CG1 VAL A 10 2.085 -5.220 3.072 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.031 -5.265 0.781 1.00 0.00 C ATOM 0 H VAL A 10 3.968 -7.468 1.684 1.00 0.00 H new ATOM 0 HA VAL A 10 3.345 -5.322 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 10 2.040 -6.883 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.105 -5.430 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.857 -5.672 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.239 -4.142 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.072 -5.474 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.147 -4.188 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.067 -5.749 -0.195 1.00 0.00 H new ATOM 126 N LEU A 11 5.070 -4.556 2.603 1.00 0.00 N ATOM 127 CA LEU A 11 5.802 -3.486 3.258 1.00 0.00 C ATOM 128 C LEU A 11 7.078 -3.189 2.468 1.00 0.00 C ATOM 129 O LEU A 11 7.393 -2.029 2.204 1.00 0.00 O ATOM 130 CB LEU A 11 6.056 -3.830 4.727 1.00 0.00 C ATOM 131 CG LEU A 11 6.151 -2.644 5.688 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.036 -1.631 5.420 1.00 0.00 C ATOM 133 CD2 LEU A 11 6.159 -3.115 7.143 1.00 0.00 C ATOM 0 H LEU A 11 5.266 -5.490 2.964 1.00 0.00 H new ATOM 0 HA LEU A 11 5.210 -2.571 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.256 -4.486 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.984 -4.399 4.791 1.00 0.00 H new ATOM 0 HG LEU A 11 7.099 -2.136 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.126 -0.798 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.119 -1.260 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.067 -2.112 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.227 -2.251 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.240 -3.662 7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.016 -3.768 7.309 1.00 0.00 H new ATOM 145 N ASP A 12 7.779 -4.255 2.112 1.00 0.00 N ATOM 146 CA ASP A 12 9.013 -4.124 1.358 1.00 0.00 C ATOM 147 C ASP A 12 8.730 -3.378 0.052 1.00 0.00 C ATOM 148 O ASP A 12 9.590 -2.659 -0.456 1.00 0.00 O ATOM 149 CB ASP A 12 9.591 -5.495 1.003 1.00 0.00 C ATOM 150 CG ASP A 12 11.119 -5.569 0.987 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.711 -5.306 2.057 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.661 -5.884 -0.094 1.00 0.00 O ATOM 0 H ASP A 12 7.515 -5.215 2.333 1.00 0.00 H new ATOM 0 HA ASP A 12 9.729 -3.580 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.214 -6.227 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.218 -5.786 0.021 1.00 0.00 H new ATOM 157 N ILE A 13 7.521 -3.573 -0.454 1.00 0.00 N ATOM 158 CA ILE A 13 7.114 -2.927 -1.690 1.00 0.00 C ATOM 159 C ILE A 13 6.596 -1.521 -1.380 1.00 0.00 C ATOM 160 O ILE A 13 6.536 -0.670 -2.266 1.00 0.00 O ATOM 161 CB ILE A 13 6.109 -3.801 -2.445 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.817 -4.694 -3.465 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.017 -2.946 -3.091 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.364 -6.150 -3.328 1.00 0.00 C ATOM 0 H ILE A 13 6.810 -4.169 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 13 7.967 -2.812 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 13 5.620 -4.459 -1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.607 -4.337 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.896 -4.630 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.316 -3.591 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.486 -2.390 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.470 -2.247 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.883 -6.763 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.598 -6.511 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.289 -6.214 -3.495 1.00 0.00 H new ATOM 176 N LEU A 14 6.236 -1.323 -0.121 1.00 0.00 N ATOM 177 CA LEU A 14 5.725 -0.034 0.316 1.00 0.00 C ATOM 178 C LEU A 14 6.898 0.875 0.686 1.00 0.00 C ATOM 179 O LEU A 14 7.000 1.996 0.190 1.00 0.00 O ATOM 180 CB LEU A 14 4.708 -0.217 1.445 1.00 0.00 C ATOM 181 CG LEU A 14 3.241 -0.011 1.064 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.937 1.472 0.837 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.862 -0.866 -0.146 1.00 0.00 C ATOM 0 H LEU A 14 6.288 -2.032 0.610 1.00 0.00 H new ATOM 0 HA LEU A 14 5.184 0.457 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.820 -1.223 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.956 0.478 2.247 1.00 0.00 H new ATOM 0 HG LEU A 14 2.622 -0.343 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.888 1.591 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.142 2.030 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.564 1.853 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.814 -0.700 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.485 -0.590 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.016 -1.919 0.090 1.00 0.00 H new ATOM 195 N ALA A 15 7.754 0.359 1.556 1.00 0.00 N ATOM 196 CA ALA A 15 8.917 1.110 1.998 1.00 0.00 C ATOM 197 C ALA A 15 9.818 1.401 0.797 1.00 0.00 C ATOM 198 O ALA A 15 10.448 2.456 0.730 1.00 0.00 O ATOM 199 CB ALA A 15 9.641 0.331 3.097 1.00 0.00 C ATOM 0 H ALA A 15 7.665 -0.570 1.967 1.00 0.00 H new ATOM 0 HA ALA A 15 8.616 2.068 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.513 0.895 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.966 0.178 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.960 -0.636 2.708 1.00 0.00 H new ATOM 205 N ASP A 16 9.851 0.448 -0.121 1.00 0.00 N ATOM 206 CA ASP A 16 10.666 0.588 -1.317 1.00 0.00 C ATOM 207 C ASP A 16 10.071 1.680 -2.209 1.00 0.00 C ATOM 208 O ASP A 16 10.805 2.429 -2.852 1.00 0.00 O ATOM 209 CB ASP A 16 10.695 -0.713 -2.120 1.00 0.00 C ATOM 210 CG ASP A 16 11.740 -1.734 -1.661 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.351 -1.480 -0.600 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.903 -2.742 -2.381 1.00 0.00 O ATOM 0 H ASP A 16 9.327 -0.425 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 16 11.679 0.842 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.710 -1.176 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.880 -0.472 -3.167 1.00 0.00 H new ATOM 217 N LEU A 17 8.748 1.737 -2.217 1.00 0.00 N ATOM 218 CA LEU A 17 8.046 2.725 -3.018 1.00 0.00 C ATOM 219 C LEU A 17 8.389 4.126 -2.508 1.00 0.00 C ATOM 220 O LEU A 17 8.902 4.955 -3.258 1.00 0.00 O ATOM 221 CB LEU A 17 6.545 2.429 -3.041 1.00 0.00 C ATOM 222 CG LEU A 17 5.944 2.114 -4.413 1.00 0.00 C ATOM 223 CD1 LEU A 17 4.486 1.669 -4.284 1.00 0.00 C ATOM 224 CD2 LEU A 17 6.097 3.303 -5.364 1.00 0.00 C ATOM 0 H LEU A 17 8.143 1.115 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 17 8.373 2.675 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.351 1.585 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.019 3.288 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 17 6.498 1.281 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.083 1.451 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.432 0.773 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.902 2.465 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.662 3.053 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.584 4.170 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.155 3.534 -5.490 1.00 0.00 H new ATOM 236 N THR A 18 8.091 4.347 -1.237 1.00 0.00 N ATOM 237 CA THR A 18 8.361 5.634 -0.618 1.00 0.00 C ATOM 238 C THR A 18 9.859 5.944 -0.664 1.00 0.00 C ATOM 239 O THR A 18 10.253 7.100 -0.802 1.00 0.00 O ATOM 240 CB THR A 18 7.790 5.605 0.802 1.00 0.00 C ATOM 241 OG1 THR A 18 8.639 4.697 1.499 1.00 0.00 O ATOM 242 CG2 THR A 18 6.410 4.947 0.864 1.00 0.00 C ATOM 0 H THR A 18 7.665 3.657 -0.618 1.00 0.00 H new ATOM 0 HA THR A 18 7.876 6.444 -1.163 1.00 0.00 H new ATOM 0 HB THR A 18 7.725 6.622 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.905 5.090 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.050 4.952 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.714 5.501 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.481 3.919 0.510 1.00 0.00 H new ATOM 250 N GLY A 19 10.652 4.889 -0.547 1.00 0.00 N ATOM 251 CA GLY A 19 12.098 5.035 -0.573 1.00 0.00 C ATOM 252 C GLY A 19 12.650 5.284 0.831 1.00 0.00 C ATOM 253 O GLY A 19 13.821 5.626 0.991 1.00 0.00 O ATOM 0 H GLY A 19 10.321 3.931 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.550 4.136 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.372 5.863 -1.227 1.00 0.00 H new ATOM 257 N SER A 20 11.781 5.103 1.815 1.00 0.00 N ATOM 258 CA SER A 20 12.167 5.305 3.201 1.00 0.00 C ATOM 259 C SER A 20 11.388 4.348 4.106 1.00 0.00 C ATOM 260 O SER A 20 10.265 3.962 3.786 1.00 0.00 O ATOM 261 CB SER A 20 11.931 6.754 3.634 1.00 0.00 C ATOM 262 OG SER A 20 12.690 7.673 2.854 1.00 0.00 O ATOM 0 H SER A 20 10.811 4.819 1.680 1.00 0.00 H new ATOM 0 HA SER A 20 13.233 5.096 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.871 6.991 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.195 6.866 4.686 1.00 0.00 H new ATOM 0 HG SER A 20 12.511 8.587 3.159 1.00 0.00 H new ATOM 268 N ASP A 21 12.015 3.992 5.217 1.00 0.00 N ATOM 269 CA ASP A 21 11.395 3.088 6.170 1.00 0.00 C ATOM 270 C ASP A 21 10.514 3.890 7.130 1.00 0.00 C ATOM 271 O ASP A 21 10.611 3.732 8.346 1.00 0.00 O ATOM 272 CB ASP A 21 12.450 2.353 6.999 1.00 0.00 C ATOM 273 CG ASP A 21 13.715 3.160 7.296 1.00 0.00 C ATOM 274 OD1 ASP A 21 13.562 4.283 7.823 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.809 2.634 6.992 1.00 0.00 O ATOM 0 H ASP A 21 12.947 4.314 5.479 1.00 0.00 H new ATOM 0 HA ASP A 21 10.806 2.362 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.001 2.049 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.734 1.441 6.473 1.00 0.00 H new ATOM 280 N ASP A 22 9.676 4.735 6.547 1.00 0.00 N ATOM 281 CA ASP A 22 8.778 5.562 7.336 1.00 0.00 C ATOM 282 C ASP A 22 7.450 4.828 7.525 1.00 0.00 C ATOM 283 O ASP A 22 6.804 4.964 8.564 1.00 0.00 O ATOM 284 CB ASP A 22 8.490 6.889 6.630 1.00 0.00 C ATOM 285 CG ASP A 22 8.066 8.033 7.553 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.897 7.755 8.760 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.919 9.159 7.030 1.00 0.00 O ATOM 0 H ASP A 22 9.600 4.865 5.538 1.00 0.00 H new ATOM 0 HA ASP A 22 9.256 5.760 8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.383 7.194 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.705 6.728 5.892 1.00 0.00 H new ATOM 292 N VAL A 23 7.080 4.067 6.506 1.00 0.00 N ATOM 293 CA VAL A 23 5.840 3.312 6.547 1.00 0.00 C ATOM 294 C VAL A 23 6.118 1.909 7.091 1.00 0.00 C ATOM 295 O VAL A 23 5.234 1.274 7.663 1.00 0.00 O ATOM 296 CB VAL A 23 5.190 3.296 5.161 1.00 0.00 C ATOM 297 CG1 VAL A 23 5.121 4.707 4.572 1.00 0.00 C ATOM 298 CG2 VAL A 23 5.929 2.344 4.220 1.00 0.00 C ATOM 0 H VAL A 23 7.618 3.957 5.646 1.00 0.00 H new ATOM 0 HA VAL A 23 5.127 3.787 7.221 1.00 0.00 H new ATOM 0 HB VAL A 23 4.170 2.930 5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.655 4.668 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.530 5.347 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.128 5.113 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.447 2.352 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.965 2.666 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.903 1.334 4.630 1.00 0.00 H new ATOM 308 N LYS A 24 7.353 1.468 6.895 1.00 0.00 N ATOM 309 CA LYS A 24 7.760 0.153 7.359 1.00 0.00 C ATOM 310 C LYS A 24 7.346 -0.017 8.823 1.00 0.00 C ATOM 311 O LYS A 24 7.177 -1.139 9.297 1.00 0.00 O ATOM 312 CB LYS A 24 9.255 -0.063 7.114 1.00 0.00 C ATOM 313 CG LYS A 24 9.731 -1.371 7.750 1.00 0.00 C ATOM 314 CD LYS A 24 10.041 -1.177 9.235 1.00 0.00 C ATOM 315 CE LYS A 24 11.515 -1.464 9.529 1.00 0.00 C ATOM 316 NZ LYS A 24 11.667 -2.783 10.183 1.00 0.00 N ATOM 0 H LYS A 24 8.084 1.998 6.421 1.00 0.00 H new ATOM 0 HA LYS A 24 7.252 -0.626 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.453 -0.083 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.819 0.773 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.965 -2.137 7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.621 -1.728 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.800 -0.156 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.412 -1.838 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.087 -1.443 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.922 -0.684 10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.673 -2.961 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.137 -2.790 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.297 -3.526 9.556 1.00 0.00 H new ATOM 330 N LYS A 25 7.194 1.114 9.497 1.00 0.00 N ATOM 331 CA LYS A 25 6.804 1.104 10.896 1.00 0.00 C ATOM 332 C LYS A 25 5.333 1.508 11.013 1.00 0.00 C ATOM 333 O LYS A 25 4.458 0.653 11.131 1.00 0.00 O ATOM 334 CB LYS A 25 7.749 1.978 11.722 1.00 0.00 C ATOM 335 CG LYS A 25 7.474 1.821 13.219 1.00 0.00 C ATOM 336 CD LYS A 25 6.269 2.661 13.646 1.00 0.00 C ATOM 337 CE LYS A 25 6.400 3.107 15.104 1.00 0.00 C ATOM 338 NZ LYS A 25 5.429 4.181 15.407 1.00 0.00 N ATOM 0 H LYS A 25 7.334 2.043 9.100 1.00 0.00 H new ATOM 0 HA LYS A 25 6.894 0.099 11.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.782 1.705 11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.629 3.022 11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.291 0.772 13.451 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.353 2.124 13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.184 3.535 13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.354 2.082 13.520 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.231 2.258 15.767 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.413 3.461 15.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.532 4.472 16.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.609 4.997 14.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.463 3.831 15.247 1.00 0.00 H new ATOM 352 N ASN A 26 5.106 2.814 10.977 1.00 0.00 N ATOM 353 CA ASN A 26 3.756 3.342 11.078 1.00 0.00 C ATOM 354 C ASN A 26 2.865 2.653 10.041 1.00 0.00 C ATOM 355 O ASN A 26 3.204 2.604 8.860 1.00 0.00 O ATOM 356 CB ASN A 26 3.731 4.845 10.798 1.00 0.00 C ATOM 357 CG ASN A 26 3.953 5.646 12.082 1.00 0.00 C ATOM 358 OD1 ASN A 26 3.025 5.996 12.793 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.229 5.915 12.339 1.00 0.00 N ATOM 0 H ASN A 26 5.834 3.521 10.879 1.00 0.00 H new ATOM 0 HA ASN A 26 3.396 3.157 12.090 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.503 5.096 10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.774 5.120 10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.480 6.444 13.174 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.957 5.592 11.701 1.00 0.00 H new ATOM 366 N LEU A 27 1.743 2.137 10.522 1.00 0.00 N ATOM 367 CA LEU A 27 0.801 1.454 9.653 1.00 0.00 C ATOM 368 C LEU A 27 -0.265 2.445 9.183 1.00 0.00 C ATOM 369 O LEU A 27 -1.121 2.102 8.368 1.00 0.00 O ATOM 370 CB LEU A 27 0.228 0.218 10.350 1.00 0.00 C ATOM 371 CG LEU A 27 1.233 -0.653 11.106 1.00 0.00 C ATOM 372 CD1 LEU A 27 0.904 -0.701 12.599 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.316 -2.051 10.492 1.00 0.00 C ATOM 0 H LEU A 27 1.466 2.179 11.503 1.00 0.00 H new ATOM 0 HA LEU A 27 1.306 1.083 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.540 0.544 11.052 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.267 -0.400 9.601 1.00 0.00 H new ATOM 0 HG LEU A 27 2.219 -0.199 11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.634 -1.327 13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.937 0.307 13.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.093 -1.118 12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.037 -2.650 11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.337 -2.527 10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.633 -1.973 9.452 1.00 0.00 H new ATOM 385 N ASP A 28 -0.179 3.654 9.716 1.00 0.00 N ATOM 386 CA ASP A 28 -1.125 4.699 9.363 1.00 0.00 C ATOM 387 C ASP A 28 -0.360 5.943 8.910 1.00 0.00 C ATOM 388 O ASP A 28 -0.728 7.064 9.260 1.00 0.00 O ATOM 389 CB ASP A 28 -1.993 5.086 10.561 1.00 0.00 C ATOM 390 CG ASP A 28 -3.275 4.267 10.725 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.143 3.063 11.032 1.00 0.00 O ATOM 392 OD2 ASP A 28 -4.357 4.863 10.538 1.00 0.00 O ATOM 0 H ASP A 28 0.533 3.934 10.391 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.763 4.319 8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.398 4.986 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.262 6.138 10.470 1.00 0.00 H new ATOM 397 N LEU A 29 0.691 5.706 8.140 1.00 0.00 N ATOM 398 CA LEU A 29 1.512 6.794 7.637 1.00 0.00 C ATOM 399 C LEU A 29 1.013 7.203 6.250 1.00 0.00 C ATOM 400 O LEU A 29 1.318 6.543 5.257 1.00 0.00 O ATOM 401 CB LEU A 29 2.992 6.408 7.670 1.00 0.00 C ATOM 402 CG LEU A 29 3.979 7.497 7.244 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.984 8.655 8.244 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.379 6.917 7.032 1.00 0.00 C ATOM 0 H LEU A 29 0.993 4.775 7.852 1.00 0.00 H new ATOM 0 HA LEU A 29 1.421 7.669 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.243 6.094 8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.136 5.542 7.024 1.00 0.00 H new ATOM 0 HG LEU A 29 3.649 7.900 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.694 9.415 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.987 9.091 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.275 8.285 9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.060 7.712 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.732 6.470 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.343 6.155 6.254 1.00 0.00 H new ATOM 416 N ASN A 30 0.257 8.290 6.225 1.00 0.00 N ATOM 417 CA ASN A 30 -0.286 8.796 4.976 1.00 0.00 C ATOM 418 C ASN A 30 0.759 8.638 3.869 1.00 0.00 C ATOM 419 O ASN A 30 1.891 9.097 4.011 1.00 0.00 O ATOM 420 CB ASN A 30 -0.636 10.281 5.087 1.00 0.00 C ATOM 421 CG ASN A 30 -1.364 10.575 6.401 1.00 0.00 C ATOM 422 OD1 ASN A 30 -0.904 11.332 7.239 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.523 9.937 6.531 1.00 0.00 N ATOM 0 H ASN A 30 0.007 8.835 7.050 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.189 8.230 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.274 10.878 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.264 10.574 4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.086 10.068 7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.850 9.317 5.790 1.00 0.00 H new ATOM 430 N LEU A 31 0.341 7.989 2.792 1.00 0.00 N ATOM 431 CA LEU A 31 1.227 7.765 1.662 1.00 0.00 C ATOM 432 C LEU A 31 1.133 8.952 0.703 1.00 0.00 C ATOM 433 O LEU A 31 1.990 9.126 -0.161 1.00 0.00 O ATOM 434 CB LEU A 31 0.925 6.417 1.004 1.00 0.00 C ATOM 435 CG LEU A 31 1.337 5.176 1.797 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.225 4.126 1.788 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.662 4.611 1.283 1.00 0.00 C ATOM 0 H LEU A 31 -0.600 7.611 2.678 1.00 0.00 H new ATOM 0 HA LEU A 31 2.263 7.706 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.146 6.361 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.425 6.388 0.036 1.00 0.00 H new ATOM 0 HG LEU A 31 1.494 5.471 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.544 3.254 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.675 4.545 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.013 3.830 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.931 3.729 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.557 4.336 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.443 5.365 1.384 1.00 0.00 H new ATOM 449 N PHE A 32 0.084 9.741 0.890 1.00 0.00 N ATOM 450 CA PHE A 32 -0.133 10.908 0.051 1.00 0.00 C ATOM 451 C PHE A 32 0.068 12.200 0.846 1.00 0.00 C ATOM 452 O PHE A 32 0.528 13.203 0.302 1.00 0.00 O ATOM 453 CB PHE A 32 -1.582 10.844 -0.437 1.00 0.00 C ATOM 454 CG PHE A 32 -1.823 9.807 -1.535 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.061 8.510 -1.204 1.00 0.00 C ATOM 456 CD2 PHE A 32 -1.800 10.182 -2.843 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.285 7.546 -2.223 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.024 9.218 -3.862 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.262 7.921 -3.530 1.00 0.00 C ATOM 0 H PHE A 32 -0.624 9.595 1.610 1.00 0.00 H new ATOM 0 HA PHE A 32 0.576 10.908 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.230 10.619 0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.873 11.826 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.080 8.213 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.611 11.212 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.474 6.516 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.005 9.515 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.433 7.188 -4.305 1.00 0.00 H new ATOM 469 N GLU A 33 -0.285 12.132 2.122 1.00 0.00 N ATOM 470 CA GLU A 33 -0.149 13.284 2.997 1.00 0.00 C ATOM 471 C GLU A 33 1.301 13.426 3.466 1.00 0.00 C ATOM 472 O GLU A 33 1.678 14.455 4.025 1.00 0.00 O ATOM 473 CB GLU A 33 -1.103 13.183 4.189 1.00 0.00 C ATOM 474 CG GLU A 33 -1.674 14.555 4.552 1.00 0.00 C ATOM 475 CD GLU A 33 -1.183 15.004 5.930 1.00 0.00 C ATOM 476 OE1 GLU A 33 -1.657 14.411 6.923 1.00 0.00 O ATOM 477 OE2 GLU A 33 -0.346 15.933 5.960 1.00 0.00 O ATOM 0 H GLU A 33 -0.664 11.298 2.570 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.418 14.177 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.917 12.498 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.576 12.766 5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.379 15.287 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.763 14.513 4.545 1.00 0.00 H new ATOM 484 N THR A 34 2.073 12.378 3.221 1.00 0.00 N ATOM 485 CA THR A 34 3.472 12.373 3.612 1.00 0.00 C ATOM 486 C THR A 34 4.360 12.735 2.420 1.00 0.00 C ATOM 487 O THR A 34 5.546 13.015 2.586 1.00 0.00 O ATOM 488 CB THR A 34 3.791 11.002 4.212 1.00 0.00 C ATOM 489 OG1 THR A 34 2.907 10.895 5.325 1.00 0.00 O ATOM 490 CG2 THR A 34 5.186 10.945 4.837 1.00 0.00 C ATOM 0 H THR A 34 1.756 11.527 2.757 1.00 0.00 H new ATOM 0 HA THR A 34 3.673 13.130 4.370 1.00 0.00 H new ATOM 0 HB THR A 34 3.710 10.240 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.407 10.054 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.360 9.950 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.935 11.159 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.258 11.684 5.635 1.00 0.00 H new ATOM 498 N GLY A 35 3.752 12.718 1.243 1.00 0.00 N ATOM 499 CA GLY A 35 4.471 13.042 0.023 1.00 0.00 C ATOM 500 C GLY A 35 5.358 11.874 -0.417 1.00 0.00 C ATOM 501 O GLY A 35 6.240 12.042 -1.257 1.00 0.00 O ATOM 0 H GLY A 35 2.768 12.485 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.761 13.283 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.084 13.929 0.182 1.00 0.00 H new ATOM 505 N LEU A 36 5.090 10.717 0.170 1.00 0.00 N ATOM 506 CA LEU A 36 5.852 9.521 -0.152 1.00 0.00 C ATOM 507 C LEU A 36 5.334 8.930 -1.464 1.00 0.00 C ATOM 508 O LEU A 36 6.087 8.294 -2.202 1.00 0.00 O ATOM 509 CB LEU A 36 5.823 8.538 1.020 1.00 0.00 C ATOM 510 CG LEU A 36 6.727 8.881 2.206 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.788 7.721 3.202 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.120 9.302 1.731 1.00 0.00 C ATOM 0 H LEU A 36 4.357 10.582 0.866 1.00 0.00 H new ATOM 0 HA LEU A 36 6.903 9.767 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.797 8.463 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.103 7.552 0.649 1.00 0.00 H new ATOM 0 HG LEU A 36 6.294 9.733 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.437 7.991 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.786 7.509 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.184 6.835 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.742 9.540 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.575 8.486 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.036 10.180 1.091 1.00 0.00 H new ATOM 524 N LEU A 37 4.054 9.160 -1.716 1.00 0.00 N ATOM 525 CA LEU A 37 3.428 8.658 -2.927 1.00 0.00 C ATOM 526 C LEU A 37 2.934 9.837 -3.768 1.00 0.00 C ATOM 527 O LEU A 37 2.770 10.944 -3.255 1.00 0.00 O ATOM 528 CB LEU A 37 2.333 7.646 -2.584 1.00 0.00 C ATOM 529 CG LEU A 37 2.330 6.356 -3.407 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.680 6.580 -4.774 1.00 0.00 C ATOM 531 CD2 LEU A 37 3.741 5.781 -3.530 1.00 0.00 C ATOM 0 H LEU A 37 3.433 9.687 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 37 4.153 8.115 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.427 7.381 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.365 8.133 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 37 1.727 5.616 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.691 5.648 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.650 6.910 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.236 7.342 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.710 4.865 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.388 6.507 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.132 5.560 -2.537 1.00 0.00 H new ATOM 543 N ASP A 38 2.712 9.561 -5.044 1.00 0.00 N ATOM 544 CA ASP A 38 2.240 10.585 -5.961 1.00 0.00 C ATOM 545 C ASP A 38 1.023 10.059 -6.723 1.00 0.00 C ATOM 546 O ASP A 38 0.020 10.760 -6.858 1.00 0.00 O ATOM 547 CB ASP A 38 3.318 10.947 -6.984 1.00 0.00 C ATOM 548 CG ASP A 38 3.310 12.407 -7.444 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.358 13.118 -7.055 1.00 0.00 O ATOM 550 OD2 ASP A 38 4.255 12.777 -8.172 1.00 0.00 O ATOM 0 H ASP A 38 2.850 8.642 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 38 1.985 11.469 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.295 10.722 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.198 10.306 -7.857 1.00 0.00 H new ATOM 555 N SER A 39 1.149 8.830 -7.202 1.00 0.00 N ATOM 556 CA SER A 39 0.071 8.203 -7.947 1.00 0.00 C ATOM 557 C SER A 39 0.606 7.001 -8.728 1.00 0.00 C ATOM 558 O SER A 39 0.071 5.898 -8.619 1.00 0.00 O ATOM 559 CB SER A 39 -0.595 9.199 -8.897 1.00 0.00 C ATOM 560 OG SER A 39 0.303 10.227 -9.309 1.00 0.00 O ATOM 0 H SER A 39 1.982 8.252 -7.088 1.00 0.00 H new ATOM 0 HA SER A 39 -0.682 7.862 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.967 8.670 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.458 9.647 -8.405 1.00 0.00 H new ATOM 0 HG SER A 39 0.263 10.971 -8.672 1.00 0.00 H new ATOM 566 N MET A 40 1.654 7.254 -9.497 1.00 0.00 N ATOM 567 CA MET A 40 2.267 6.206 -10.296 1.00 0.00 C ATOM 568 C MET A 40 2.732 5.045 -9.414 1.00 0.00 C ATOM 569 O MET A 40 2.861 3.916 -9.885 1.00 0.00 O ATOM 570 CB MET A 40 3.463 6.778 -11.059 1.00 0.00 C ATOM 571 CG MET A 40 3.600 6.124 -12.435 1.00 0.00 C ATOM 572 SD MET A 40 3.539 7.371 -13.712 1.00 0.00 S ATOM 573 CE MET A 40 1.778 7.660 -13.779 1.00 0.00 C ATOM 0 H MET A 40 2.095 8.170 -9.584 1.00 0.00 H new ATOM 0 HA MET A 40 1.523 5.829 -10.998 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.343 7.855 -11.175 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.375 6.619 -10.484 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.541 5.576 -12.495 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.799 5.400 -12.584 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.562 8.418 -14.532 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.267 6.733 -14.040 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.429 8.005 -12.806 1.00 0.00 H new ATOM 583 N GLY A 41 2.968 5.363 -8.150 1.00 0.00 N ATOM 584 CA GLY A 41 3.417 4.360 -7.198 1.00 0.00 C ATOM 585 C GLY A 41 2.342 3.293 -6.980 1.00 0.00 C ATOM 586 O GLY A 41 2.611 2.100 -7.112 1.00 0.00 O ATOM 0 H GLY A 41 2.857 6.300 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.331 3.891 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.659 4.837 -6.248 1.00 0.00 H new ATOM 590 N THR A 42 1.147 3.762 -6.649 1.00 0.00 N ATOM 591 CA THR A 42 0.031 2.862 -6.412 1.00 0.00 C ATOM 592 C THR A 42 -0.122 1.881 -7.576 1.00 0.00 C ATOM 593 O THR A 42 -0.328 0.687 -7.362 1.00 0.00 O ATOM 594 CB THR A 42 -1.217 3.712 -6.166 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.503 3.519 -4.784 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.452 3.160 -6.883 1.00 0.00 C ATOM 0 H THR A 42 0.928 4.752 -6.540 1.00 0.00 H new ATOM 0 HA THR A 42 0.202 2.245 -5.530 1.00 0.00 H new ATOM 0 HB THR A 42 -1.031 4.734 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.298 4.037 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.310 3.800 -6.675 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.269 3.136 -7.957 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.658 2.150 -6.528 1.00 0.00 H new ATOM 604 N VAL A 43 -0.012 2.421 -8.781 1.00 0.00 N ATOM 605 CA VAL A 43 -0.135 1.608 -9.978 1.00 0.00 C ATOM 606 C VAL A 43 0.882 0.465 -9.921 1.00 0.00 C ATOM 607 O VAL A 43 0.516 -0.703 -10.047 1.00 0.00 O ATOM 608 CB VAL A 43 0.021 2.483 -11.223 1.00 0.00 C ATOM 609 CG1 VAL A 43 0.011 1.634 -12.496 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.063 3.561 -11.274 1.00 0.00 C ATOM 0 H VAL A 43 0.161 3.411 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.127 1.159 -10.033 1.00 0.00 H new ATOM 0 HB VAL A 43 0.988 2.982 -11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.123 2.281 -13.366 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.835 0.922 -12.465 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.933 1.094 -12.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.929 4.169 -12.169 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.045 3.089 -11.300 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.988 4.194 -10.390 1.00 0.00 H new ATOM 620 N GLN A 44 2.138 0.842 -9.729 1.00 0.00 N ATOM 621 CA GLN A 44 3.209 -0.137 -9.653 1.00 0.00 C ATOM 622 C GLN A 44 2.970 -1.096 -8.486 1.00 0.00 C ATOM 623 O GLN A 44 2.958 -2.312 -8.670 1.00 0.00 O ATOM 624 CB GLN A 44 4.570 0.550 -9.528 1.00 0.00 C ATOM 625 CG GLN A 44 5.709 -0.452 -9.725 1.00 0.00 C ATOM 626 CD GLN A 44 6.936 0.225 -10.340 1.00 0.00 C ATOM 627 OE1 GLN A 44 7.102 0.287 -11.547 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.782 0.729 -9.445 1.00 0.00 N ATOM 0 H GLN A 44 2.438 1.811 -9.624 1.00 0.00 H new ATOM 0 HA GLN A 44 3.213 -0.715 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.649 1.346 -10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.657 1.017 -8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.977 -0.896 -8.766 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.376 -1.264 -10.371 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.582 0.642 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.631 1.202 -9.755 1.00 0.00 H new ATOM 637 N LEU A 45 2.783 -0.513 -7.311 1.00 0.00 N ATOM 638 CA LEU A 45 2.545 -1.302 -6.114 1.00 0.00 C ATOM 639 C LEU A 45 1.478 -2.358 -6.408 1.00 0.00 C ATOM 640 O LEU A 45 1.544 -3.473 -5.892 1.00 0.00 O ATOM 641 CB LEU A 45 2.200 -0.391 -4.934 1.00 0.00 C ATOM 642 CG LEU A 45 0.933 -0.754 -4.156 1.00 0.00 C ATOM 643 CD1 LEU A 45 1.136 -2.034 -3.341 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.473 0.414 -3.281 1.00 0.00 C ATOM 0 H LEU A 45 2.791 0.496 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 45 3.450 -1.836 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.041 -0.393 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.095 0.628 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 45 0.138 -0.952 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.220 -2.269 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.381 -2.857 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.951 -1.888 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.429 0.129 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.259 0.667 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.261 1.278 -3.910 1.00 0.00 H new ATOM 656 N LEU A 46 0.521 -1.971 -7.239 1.00 0.00 N ATOM 657 CA LEU A 46 -0.558 -2.872 -7.607 1.00 0.00 C ATOM 658 C LEU A 46 0.004 -4.013 -8.458 1.00 0.00 C ATOM 659 O LEU A 46 -0.423 -5.158 -8.326 1.00 0.00 O ATOM 660 CB LEU A 46 -1.692 -2.099 -8.287 1.00 0.00 C ATOM 661 CG LEU A 46 -2.734 -1.479 -7.353 1.00 0.00 C ATOM 662 CD1 LEU A 46 -3.946 -0.979 -8.140 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.132 -2.458 -6.248 1.00 0.00 C ATOM 0 H LEU A 46 0.470 -1.047 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.998 -3.323 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.253 -1.303 -8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.204 -2.773 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.285 -0.612 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.671 -0.543 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.627 -0.224 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.405 -1.813 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.873 -1.992 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.555 -3.358 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.252 -2.723 -5.662 1.00 0.00 H new ATOM 675 N LEU A 47 0.954 -3.659 -9.311 1.00 0.00 N ATOM 676 CA LEU A 47 1.580 -4.640 -10.182 1.00 0.00 C ATOM 677 C LEU A 47 2.193 -5.754 -9.332 1.00 0.00 C ATOM 678 O LEU A 47 2.135 -6.926 -9.703 1.00 0.00 O ATOM 679 CB LEU A 47 2.579 -3.961 -11.121 1.00 0.00 C ATOM 680 CG LEU A 47 2.517 -4.389 -12.589 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.772 -5.891 -12.733 1.00 0.00 C ATOM 682 CD2 LEU A 47 1.192 -3.969 -13.228 1.00 0.00 C ATOM 0 H LEU A 47 1.305 -2.707 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 47 0.836 -5.106 -10.828 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.421 -2.884 -11.070 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.585 -4.153 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 47 3.312 -3.874 -13.129 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.722 -6.169 -13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.760 -6.132 -12.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.016 -6.444 -12.176 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.175 -4.285 -14.271 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.366 -4.437 -12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.090 -2.885 -13.176 1.00 0.00 H new ATOM 694 N GLU A 48 2.766 -5.349 -8.208 1.00 0.00 N ATOM 695 CA GLU A 48 3.390 -6.300 -7.302 1.00 0.00 C ATOM 696 C GLU A 48 2.337 -6.930 -6.388 1.00 0.00 C ATOM 697 O GLU A 48 2.536 -8.030 -5.874 1.00 0.00 O ATOM 698 CB GLU A 48 4.496 -5.632 -6.485 1.00 0.00 C ATOM 699 CG GLU A 48 5.861 -6.246 -6.805 1.00 0.00 C ATOM 700 CD GLU A 48 6.418 -5.692 -8.118 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.631 -5.634 -9.088 1.00 0.00 O ATOM 702 OE2 GLU A 48 7.617 -5.338 -8.122 1.00 0.00 O ATOM 0 H GLU A 48 2.812 -4.376 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 48 3.849 -7.091 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.515 -4.563 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.284 -5.742 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.557 -6.036 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.769 -7.330 -6.874 1.00 0.00 H new ATOM 709 N LEU A 49 1.241 -6.208 -6.214 1.00 0.00 N ATOM 710 CA LEU A 49 0.157 -6.683 -5.371 1.00 0.00 C ATOM 711 C LEU A 49 -0.722 -7.645 -6.172 1.00 0.00 C ATOM 712 O LEU A 49 -1.599 -8.302 -5.612 1.00 0.00 O ATOM 713 CB LEU A 49 -0.611 -5.503 -4.769 1.00 0.00 C ATOM 714 CG LEU A 49 -0.373 -5.237 -3.282 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.115 -3.978 -2.826 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.744 -6.458 -2.440 1.00 0.00 C ATOM 0 H LEU A 49 1.080 -5.297 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 49 0.551 -7.242 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.349 -4.603 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.677 -5.673 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 49 0.691 -5.056 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.930 -3.811 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.760 -3.120 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.185 -4.106 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.565 -6.242 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.798 -6.695 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.134 -7.309 -2.744 1.00 0.00 H new ATOM 728 N GLN A 50 -0.457 -7.698 -7.469 1.00 0.00 N ATOM 729 CA GLN A 50 -1.213 -8.569 -8.352 1.00 0.00 C ATOM 730 C GLN A 50 -0.314 -9.679 -8.900 1.00 0.00 C ATOM 731 O GLN A 50 -0.635 -10.300 -9.913 1.00 0.00 O ATOM 732 CB GLN A 50 -1.856 -7.772 -9.490 1.00 0.00 C ATOM 733 CG GLN A 50 -2.895 -8.616 -10.231 1.00 0.00 C ATOM 734 CD GLN A 50 -2.804 -8.394 -11.742 1.00 0.00 C ATOM 735 OE1 GLN A 50 -2.155 -9.130 -12.467 1.00 0.00 O ATOM 736 NE2 GLN A 50 -3.488 -7.339 -12.176 1.00 0.00 N ATOM 0 H GLN A 50 0.271 -7.152 -7.929 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.016 -9.029 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.329 -6.876 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.086 -7.441 -10.187 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.740 -9.671 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.895 -8.358 -9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.011 -6.764 -11.516 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.490 -7.105 -13.169 1.00 0.00 H new ATOM 745 N SER A 51 0.794 -9.895 -8.208 1.00 0.00 N ATOM 746 CA SER A 51 1.742 -10.919 -8.612 1.00 0.00 C ATOM 747 C SER A 51 2.038 -11.853 -7.437 1.00 0.00 C ATOM 748 O SER A 51 1.836 -13.062 -7.533 1.00 0.00 O ATOM 749 CB SER A 51 3.039 -10.296 -9.134 1.00 0.00 C ATOM 750 OG SER A 51 3.903 -11.268 -9.713 1.00 0.00 O ATOM 0 H SER A 51 1.057 -9.378 -7.369 1.00 0.00 H new ATOM 0 HA SER A 51 1.296 -11.495 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.802 -9.534 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.555 -9.794 -8.316 1.00 0.00 H new ATOM 0 HG SER A 51 4.718 -10.830 -10.035 1.00 0.00 H new ATOM 756 N GLN A 52 2.512 -11.256 -6.352 1.00 0.00 N ATOM 757 CA GLN A 52 2.837 -12.019 -5.159 1.00 0.00 C ATOM 758 C GLN A 52 1.586 -12.221 -4.302 1.00 0.00 C ATOM 759 O GLN A 52 1.527 -13.147 -3.494 1.00 0.00 O ATOM 760 CB GLN A 52 3.947 -11.336 -4.358 1.00 0.00 C ATOM 761 CG GLN A 52 5.260 -11.322 -5.141 1.00 0.00 C ATOM 762 CD GLN A 52 6.181 -12.458 -4.690 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.960 -13.622 -4.978 1.00 0.00 O ATOM 764 NE2 GLN A 52 7.222 -12.056 -3.967 1.00 0.00 N ATOM 0 H GLN A 52 2.679 -10.253 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 52 3.205 -12.998 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.652 -10.314 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.090 -11.857 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.053 -11.419 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.762 -10.365 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.348 -11.065 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.894 -12.739 -3.618 1.00 0.00 H new ATOM 773 N PHE A 53 0.618 -11.340 -4.506 1.00 0.00 N ATOM 774 CA PHE A 53 -0.627 -11.411 -3.762 1.00 0.00 C ATOM 775 C PHE A 53 -1.815 -11.635 -4.700 1.00 0.00 C ATOM 776 O PHE A 53 -2.857 -12.137 -4.280 1.00 0.00 O ATOM 777 CB PHE A 53 -0.801 -10.067 -3.051 1.00 0.00 C ATOM 778 CG PHE A 53 0.491 -9.511 -2.449 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.468 -9.030 -3.264 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.661 -9.495 -1.100 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.667 -8.513 -2.705 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.860 -8.978 -0.541 1.00 0.00 C ATOM 783 CZ PHE A 53 2.838 -8.498 -1.356 1.00 0.00 C ATOM 0 H PHE A 53 0.671 -10.573 -5.176 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.592 -12.243 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.201 -9.342 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.540 -10.180 -2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.332 -9.041 -4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.116 -9.876 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.443 -8.132 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.995 -8.966 0.530 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.750 -8.105 -0.932 1.00 0.00 H new ATOM 793 N GLY A 54 -1.619 -11.254 -5.953 1.00 0.00 N ATOM 794 CA GLY A 54 -2.660 -11.407 -6.955 1.00 0.00 C ATOM 795 C GLY A 54 -3.942 -10.689 -6.526 1.00 0.00 C ATOM 796 O GLY A 54 -5.032 -11.252 -6.616 1.00 0.00 O ATOM 0 H GLY A 54 -0.753 -10.839 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.315 -11.005 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.867 -12.466 -7.112 1.00 0.00 H new ATOM 800 N VAL A 55 -3.769 -9.458 -6.070 1.00 0.00 N ATOM 801 CA VAL A 55 -4.899 -8.658 -5.627 1.00 0.00 C ATOM 802 C VAL A 55 -5.702 -8.198 -6.846 1.00 0.00 C ATOM 803 O VAL A 55 -5.214 -8.260 -7.974 1.00 0.00 O ATOM 804 CB VAL A 55 -4.410 -7.496 -4.760 1.00 0.00 C ATOM 805 CG1 VAL A 55 -3.882 -6.350 -5.626 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.515 -7.010 -3.821 1.00 0.00 C ATOM 0 H VAL A 55 -2.863 -8.994 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.567 -9.253 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.585 -7.859 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.541 -5.537 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.050 -6.707 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.678 -5.989 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.141 -6.184 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.369 -6.672 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.823 -7.827 -3.169 1.00 0.00 H new ATOM 816 N ASP A 56 -6.918 -7.747 -6.578 1.00 0.00 N ATOM 817 CA ASP A 56 -7.792 -7.277 -7.639 1.00 0.00 C ATOM 818 C ASP A 56 -8.255 -5.854 -7.319 1.00 0.00 C ATOM 819 O ASP A 56 -9.347 -5.448 -7.717 1.00 0.00 O ATOM 820 CB ASP A 56 -9.034 -8.162 -7.762 1.00 0.00 C ATOM 821 CG ASP A 56 -9.092 -9.024 -9.025 1.00 0.00 C ATOM 822 OD1 ASP A 56 -8.007 -9.476 -9.453 1.00 0.00 O ATOM 823 OD2 ASP A 56 -10.218 -9.212 -9.533 1.00 0.00 O ATOM 0 H ASP A 56 -7.319 -7.697 -5.641 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.234 -7.307 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.083 -8.816 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.919 -7.526 -7.733 1.00 0.00 H new ATOM 828 N ALA A 57 -7.403 -5.135 -6.605 1.00 0.00 N ATOM 829 CA ALA A 57 -7.711 -3.766 -6.227 1.00 0.00 C ATOM 830 C ALA A 57 -8.289 -3.026 -7.435 1.00 0.00 C ATOM 831 O ALA A 57 -7.773 -3.144 -8.545 1.00 0.00 O ATOM 832 CB ALA A 57 -6.452 -3.092 -5.678 1.00 0.00 C ATOM 0 H ALA A 57 -6.499 -5.474 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.462 -3.746 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.683 -2.065 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.098 -3.639 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.676 -3.091 -6.444 1.00 0.00 H new ATOM 838 N PRO A 58 -9.381 -2.260 -7.171 1.00 0.00 N ATOM 839 CA PRO A 58 -10.034 -1.501 -8.224 1.00 0.00 C ATOM 840 C PRO A 58 -9.215 -0.265 -8.598 1.00 0.00 C ATOM 841 O PRO A 58 -8.111 -0.070 -8.092 1.00 0.00 O ATOM 842 CB PRO A 58 -11.407 -1.157 -7.667 1.00 0.00 C ATOM 843 CG PRO A 58 -11.300 -1.332 -6.161 1.00 0.00 C ATOM 844 CD PRO A 58 -10.019 -2.096 -5.869 1.00 0.00 C ATOM 0 HA PRO A 58 -10.124 -2.063 -9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.688 -0.135 -7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.173 -1.812 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.287 -0.362 -5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.164 -1.875 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.378 -1.546 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.230 -3.060 -5.407 1.00 0.00 H new ATOM 852 N VAL A 59 -9.786 0.539 -9.484 1.00 0.00 N ATOM 853 CA VAL A 59 -9.122 1.750 -9.932 1.00 0.00 C ATOM 854 C VAL A 59 -10.164 2.720 -10.495 1.00 0.00 C ATOM 855 O VAL A 59 -10.114 3.918 -10.219 1.00 0.00 O ATOM 856 CB VAL A 59 -8.023 1.404 -10.940 1.00 0.00 C ATOM 857 CG1 VAL A 59 -7.481 2.664 -11.616 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.897 0.613 -10.272 1.00 0.00 C ATOM 0 H VAL A 59 -10.701 0.374 -9.903 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.632 2.247 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.464 0.774 -11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.702 2.389 -12.327 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.290 3.171 -12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.065 3.331 -10.861 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.129 0.380 -11.010 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.461 1.208 -9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.298 -0.313 -9.860 1.00 0.00 H new ATOM 868 N SER A 60 -11.082 2.165 -11.272 1.00 0.00 N ATOM 869 CA SER A 60 -12.133 2.966 -11.875 1.00 0.00 C ATOM 870 C SER A 60 -12.488 4.140 -10.961 1.00 0.00 C ATOM 871 O SER A 60 -12.669 5.263 -11.427 1.00 0.00 O ATOM 872 CB SER A 60 -13.376 2.120 -12.159 1.00 0.00 C ATOM 873 OG SER A 60 -13.816 1.415 -11.001 1.00 0.00 O ATOM 0 H SER A 60 -11.120 1.171 -11.498 1.00 0.00 H new ATOM 0 HA SER A 60 -11.764 3.353 -12.825 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.179 2.764 -12.519 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.157 1.409 -12.955 1.00 0.00 H new ATOM 0 HG SER A 60 -14.612 0.888 -11.222 1.00 0.00 H new ATOM 879 N GLU A 61 -12.575 3.840 -9.672 1.00 0.00 N ATOM 880 CA GLU A 61 -12.905 4.856 -8.688 1.00 0.00 C ATOM 881 C GLU A 61 -13.105 4.217 -7.312 1.00 0.00 C ATOM 882 O GLU A 61 -14.233 3.914 -6.923 1.00 0.00 O ATOM 883 CB GLU A 61 -14.144 5.648 -9.110 1.00 0.00 C ATOM 884 CG GLU A 61 -13.884 7.154 -9.036 1.00 0.00 C ATOM 885 CD GLU A 61 -14.961 7.935 -9.792 1.00 0.00 C ATOM 886 OE1 GLU A 61 -15.301 7.493 -10.912 1.00 0.00 O ATOM 887 OE2 GLU A 61 -15.420 8.955 -9.234 1.00 0.00 O ATOM 0 H GLU A 61 -12.422 2.908 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.072 5.556 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.426 5.374 -10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.983 5.388 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.863 7.472 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.904 7.378 -9.457 1.00 0.00 H new ATOM 894 N PHE A 62 -11.995 4.032 -6.614 1.00 0.00 N ATOM 895 CA PHE A 62 -12.035 3.435 -5.290 1.00 0.00 C ATOM 896 C PHE A 62 -11.813 4.492 -4.206 1.00 0.00 C ATOM 897 O PHE A 62 -11.825 5.689 -4.487 1.00 0.00 O ATOM 898 CB PHE A 62 -10.900 2.411 -5.227 1.00 0.00 C ATOM 899 CG PHE A 62 -9.525 2.983 -5.579 1.00 0.00 C ATOM 900 CD1 PHE A 62 -8.962 3.935 -4.788 1.00 0.00 C ATOM 901 CD2 PHE A 62 -8.866 2.538 -6.682 1.00 0.00 C ATOM 902 CE1 PHE A 62 -7.686 4.466 -5.114 1.00 0.00 C ATOM 903 CE2 PHE A 62 -7.589 3.069 -7.008 1.00 0.00 C ATOM 904 CZ PHE A 62 -7.027 4.022 -6.217 1.00 0.00 C ATOM 0 H PHE A 62 -11.062 4.285 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.008 2.975 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -10.860 1.989 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.126 1.591 -5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.485 4.287 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.313 1.781 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.239 5.222 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.065 2.716 -7.884 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.057 4.426 -6.465 1.00 0.00 H new ATOM 914 N ASP A 63 -11.617 4.010 -2.987 1.00 0.00 N ATOM 915 CA ASP A 63 -11.393 4.897 -1.858 1.00 0.00 C ATOM 916 C ASP A 63 -9.889 5.093 -1.659 1.00 0.00 C ATOM 917 O ASP A 63 -9.208 4.209 -1.140 1.00 0.00 O ATOM 918 CB ASP A 63 -11.968 4.306 -0.569 1.00 0.00 C ATOM 919 CG ASP A 63 -12.638 2.940 -0.728 1.00 0.00 C ATOM 920 OD1 ASP A 63 -11.934 2.010 -1.179 1.00 0.00 O ATOM 921 OD2 ASP A 63 -13.840 2.855 -0.394 1.00 0.00 O ATOM 0 H ASP A 63 -11.609 3.016 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.888 5.845 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.165 4.217 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.696 5.006 -0.159 1.00 0.00 H new ATOM 926 N ARG A 64 -9.414 6.255 -2.081 1.00 0.00 N ATOM 927 CA ARG A 64 -8.003 6.577 -1.956 1.00 0.00 C ATOM 928 C ARG A 64 -7.566 6.486 -0.493 1.00 0.00 C ATOM 929 O ARG A 64 -6.464 6.027 -0.198 1.00 0.00 O ATOM 930 CB ARG A 64 -7.711 7.984 -2.481 1.00 0.00 C ATOM 931 CG ARG A 64 -7.342 7.949 -3.966 1.00 0.00 C ATOM 932 CD ARG A 64 -5.830 7.802 -4.153 1.00 0.00 C ATOM 933 NE ARG A 64 -5.128 8.934 -3.511 1.00 0.00 N ATOM 934 CZ ARG A 64 -5.052 10.166 -4.036 1.00 0.00 C ATOM 935 NH1 ARG A 64 -5.634 10.429 -5.213 1.00 0.00 N ATOM 936 NH2 ARG A 64 -4.393 11.132 -3.383 1.00 0.00 N ATOM 0 H ARG A 64 -9.982 6.986 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.444 5.855 -2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.584 8.619 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.895 8.427 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.854 7.119 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.685 8.863 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.492 6.861 -3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.588 7.769 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.673 8.768 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.135 9.693 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.576 11.366 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.949 10.931 -2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.335 12.069 -3.782 1.00 0.00 H new ATOM 950 N LYS A 65 -8.453 6.931 0.385 1.00 0.00 N ATOM 951 CA LYS A 65 -8.173 6.905 1.811 1.00 0.00 C ATOM 952 C LYS A 65 -7.706 5.504 2.210 1.00 0.00 C ATOM 953 O LYS A 65 -6.830 5.355 3.061 1.00 0.00 O ATOM 954 CB LYS A 65 -9.383 7.399 2.604 1.00 0.00 C ATOM 955 CG LYS A 65 -10.680 6.802 2.054 1.00 0.00 C ATOM 956 CD LYS A 65 -11.660 7.902 1.641 1.00 0.00 C ATOM 957 CE LYS A 65 -11.071 8.771 0.528 1.00 0.00 C ATOM 958 NZ LYS A 65 -11.905 9.975 0.314 1.00 0.00 N ATOM 0 H LYS A 65 -9.366 7.312 0.137 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.362 7.592 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.270 7.127 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.432 8.487 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.457 6.168 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.140 6.165 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.594 7.454 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.900 8.523 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.055 9.067 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.008 8.196 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.491 10.554 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.867 9.687 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.943 10.531 1.192 1.00 0.00 H new ATOM 972 N GLU A 66 -8.311 4.511 1.575 1.00 0.00 N ATOM 973 CA GLU A 66 -7.970 3.127 1.853 1.00 0.00 C ATOM 974 C GLU A 66 -6.597 2.791 1.266 1.00 0.00 C ATOM 975 O GLU A 66 -5.935 1.858 1.719 1.00 0.00 O ATOM 976 CB GLU A 66 -9.042 2.177 1.315 1.00 0.00 C ATOM 977 CG GLU A 66 -8.609 0.718 1.466 1.00 0.00 C ATOM 978 CD GLU A 66 -9.809 -0.225 1.351 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.482 -0.160 0.299 1.00 0.00 O ATOM 980 OE2 GLU A 66 -10.025 -0.988 2.316 1.00 0.00 O ATOM 0 H GLU A 66 -9.036 4.638 0.869 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.925 2.996 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.978 2.339 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.233 2.396 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.874 0.472 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.123 0.577 2.431 1.00 0.00 H new ATOM 987 N TRP A 67 -6.209 3.570 0.267 1.00 0.00 N ATOM 988 CA TRP A 67 -4.927 3.368 -0.385 1.00 0.00 C ATOM 989 C TRP A 67 -4.003 4.517 0.021 1.00 0.00 C ATOM 990 O TRP A 67 -3.012 4.790 -0.656 1.00 0.00 O ATOM 991 CB TRP A 67 -5.098 3.245 -1.901 1.00 0.00 C ATOM 992 CG TRP A 67 -6.215 2.290 -2.326 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.465 2.597 -2.696 1.00 0.00 C ATOM 994 CD2 TRP A 67 -6.130 0.852 -2.411 1.00 0.00 C ATOM 995 NE1 TRP A 67 -8.191 1.466 -3.013 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.353 0.371 -2.834 1.00 0.00 C ATOM 997 CE3 TRP A 67 -5.056 -0.014 -2.141 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.617 -0.990 -3.022 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -5.336 -1.372 -2.335 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.563 -1.872 -2.759 1.00 0.00 C ATOM 0 H TRP A 67 -6.760 4.342 -0.107 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.475 2.429 -0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.302 4.233 -2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.158 2.905 -2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.856 3.603 -2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -9.163 1.439 -3.322 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -4.091 0.340 -1.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.583 -1.341 -3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.544 -2.081 -2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.701 -2.936 -2.885 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.358 5.159 1.124 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.573 6.272 1.628 1.00 0.00 C ATOM 1013 C ASP A 68 -2.564 5.755 2.655 1.00 0.00 C ATOM 1014 O ASP A 68 -1.439 6.247 2.728 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.463 7.306 2.321 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.754 8.182 3.356 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.570 8.500 3.113 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.411 8.511 4.366 1.00 0.00 O ATOM 0 H ASP A 68 -5.180 4.929 1.683 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.069 6.739 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.903 7.952 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.285 6.785 2.811 1.00 0.00 H new ATOM 1023 N THR A 69 -3.002 4.768 3.423 1.00 0.00 N ATOM 1024 CA THR A 69 -2.150 4.178 4.443 1.00 0.00 C ATOM 1025 C THR A 69 -1.857 2.714 4.110 1.00 0.00 C ATOM 1026 O THR A 69 -2.591 2.087 3.347 1.00 0.00 O ATOM 1027 CB THR A 69 -2.834 4.369 5.797 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.198 4.041 5.547 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.877 5.836 6.230 1.00 0.00 C ATOM 0 H THR A 69 -3.935 4.362 3.360 1.00 0.00 H new ATOM 0 HA THR A 69 -1.178 4.670 4.482 1.00 0.00 H new ATOM 0 HB THR A 69 -2.311 3.783 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.513 3.412 6.229 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.373 5.915 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.861 6.222 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.428 6.417 5.491 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.755 2.196 4.716 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.355 0.818 4.493 1.00 0.00 C ATOM 1039 C PRO A 70 -1.268 -0.148 5.253 1.00 0.00 C ATOM 1040 O PRO A 70 -1.438 -1.296 4.847 1.00 0.00 O ATOM 1041 CB PRO A 70 1.093 0.748 4.948 1.00 0.00 C ATOM 1042 CG PRO A 70 1.309 1.963 5.837 1.00 0.00 C ATOM 1043 CD PRO A 70 0.138 2.909 5.626 1.00 0.00 C ATOM 0 HA PRO A 70 -0.444 0.519 3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.287 -0.175 5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.772 0.762 4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.374 1.664 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.248 2.457 5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.359 3.140 6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.466 3.856 5.198 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.830 0.355 6.342 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.721 -0.448 7.162 1.00 0.00 C ATOM 1053 C ASN A 71 -4.039 -0.667 6.415 1.00 0.00 C ATOM 1054 O ASN A 71 -4.539 -1.788 6.347 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.039 0.257 8.483 1.00 0.00 C ATOM 1056 CG ASN A 71 -4.276 -0.351 9.146 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -4.481 -1.554 9.151 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -5.088 0.544 9.701 1.00 0.00 N ATOM 0 H ASN A 71 -1.686 1.308 6.676 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.225 -1.396 7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.185 0.178 9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.204 1.319 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.942 0.238 10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.857 1.537 9.661 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.561 0.423 5.872 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.810 0.364 5.131 1.00 0.00 C ATOM 1067 C LYS A 72 -5.634 -0.544 3.913 1.00 0.00 C ATOM 1068 O LYS A 72 -6.579 -1.204 3.485 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.293 1.774 4.783 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.398 2.227 5.739 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.701 3.716 5.561 1.00 0.00 C ATOM 1072 CE LYS A 72 -6.926 4.558 6.578 1.00 0.00 C ATOM 1073 NZ LYS A 72 -6.106 5.578 5.888 1.00 0.00 N ATOM 0 H LYS A 72 -4.142 1.351 5.930 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.596 -0.075 5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.457 2.471 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.664 1.793 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.301 1.644 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.095 2.034 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.437 4.026 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.771 3.890 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.622 5.044 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.285 3.914 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.933 6.377 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.197 5.159 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.610 5.915 5.043 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.417 -0.549 3.390 1.00 0.00 N ATOM 1088 CA ILE A 73 -4.104 -1.366 2.230 1.00 0.00 C ATOM 1089 C ILE A 73 -3.839 -2.804 2.680 1.00 0.00 C ATOM 1090 O ILE A 73 -4.370 -3.748 2.095 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.952 -0.749 1.434 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.358 0.599 0.836 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -2.440 -1.719 0.368 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -2.200 1.224 0.057 1.00 0.00 C ATOM 0 H ILE A 73 -3.636 -0.000 3.748 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.953 -1.397 1.547 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.126 -0.560 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.215 0.465 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.672 1.274 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.622 -1.255 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.084 -2.631 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.249 -1.963 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.515 2.181 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.353 1.379 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.905 0.557 -0.753 1.00 0.00 H new ATOM 1106 N ILE A 74 -3.021 -2.926 3.714 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.680 -4.233 4.250 1.00 0.00 C ATOM 1108 C ILE A 74 -3.965 -5.023 4.511 1.00 0.00 C ATOM 1109 O ILE A 74 -3.992 -6.241 4.347 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.785 -4.091 5.482 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.323 -3.882 5.076 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.953 -5.285 6.423 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.517 -3.426 6.270 1.00 0.00 C ATOM 0 H ILE A 74 -2.584 -2.141 4.196 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.097 -4.801 3.525 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.098 -3.203 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.083 -4.810 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.265 -3.139 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.305 -5.158 7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.991 -5.347 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.683 -6.202 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.551 -3.285 5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.123 -2.485 6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.477 -4.183 7.053 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.997 -4.297 4.914 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.281 -4.915 5.200 1.00 0.00 C ATOM 1127 C ALA A 75 -6.960 -5.299 3.883 1.00 0.00 C ATOM 1128 O ALA A 75 -7.773 -6.222 3.848 1.00 0.00 O ATOM 1129 CB ALA A 75 -7.131 -3.958 6.038 1.00 0.00 C ATOM 0 H ALA A 75 -4.971 -3.286 5.049 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.149 -5.828 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.094 -4.420 6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.617 -3.739 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.288 -3.032 5.485 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.603 -4.572 2.835 1.00 0.00 N ATOM 1136 CA LYS A 76 -7.169 -4.826 1.521 1.00 0.00 C ATOM 1137 C LYS A 76 -6.470 -6.033 0.894 1.00 0.00 C ATOM 1138 O LYS A 76 -7.071 -6.763 0.107 1.00 0.00 O ATOM 1139 CB LYS A 76 -7.108 -3.563 0.659 1.00 0.00 C ATOM 1140 CG LYS A 76 -8.180 -3.592 -0.433 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.575 -3.393 0.163 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.574 -2.962 -0.913 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.950 -3.347 -0.527 1.00 0.00 N ATOM 0 H LYS A 76 -5.929 -3.807 2.869 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.226 -5.077 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.247 -2.683 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.122 -3.477 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.979 -2.811 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.139 -4.544 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.912 -4.320 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.534 -2.639 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.519 -1.883 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.314 -3.425 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.615 -3.047 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.002 -4.379 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.201 -2.885 0.371 1.00 0.00 H new ATOM 1157 N VAL A 77 -5.210 -6.206 1.265 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.422 -7.312 0.749 1.00 0.00 C ATOM 1159 C VAL A 77 -4.774 -8.586 1.520 1.00 0.00 C ATOM 1160 O VAL A 77 -4.607 -9.692 1.007 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.933 -6.968 0.811 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -2.097 -8.021 0.081 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.669 -5.571 0.246 1.00 0.00 C ATOM 0 H VAL A 77 -4.715 -5.598 1.917 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.657 -7.491 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.632 -6.968 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.042 -7.753 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.251 -8.994 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.402 -8.067 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.603 -5.351 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.994 -5.532 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.222 -4.833 0.827 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.254 -8.389 2.738 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.631 -9.509 3.585 1.00 0.00 C ATOM 1175 C GLU A 78 -7.051 -9.972 3.251 1.00 0.00 C ATOM 1176 O GLU A 78 -7.359 -11.158 3.351 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.508 -9.142 5.065 1.00 0.00 C ATOM 1178 CG GLU A 78 -4.074 -9.339 5.560 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.819 -10.801 5.933 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.165 -11.667 5.101 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.282 -11.019 7.041 1.00 0.00 O ATOM 0 H GLU A 78 -5.391 -7.470 3.160 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.945 -10.334 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.808 -8.105 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.188 -9.758 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.372 -9.030 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.894 -8.702 6.426 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.876 -9.012 2.861 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.255 -9.307 2.512 1.00 0.00 C ATOM 1190 C GLN A 79 -9.369 -9.625 1.019 1.00 0.00 C ATOM 1191 O GLN A 79 -10.441 -9.488 0.432 1.00 0.00 O ATOM 1192 CB GLN A 79 -10.179 -8.150 2.898 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.126 -8.558 4.029 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.643 -7.330 4.780 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.674 -6.763 4.459 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -10.871 -6.953 5.795 1.00 0.00 N ATOM 0 H GLN A 79 -7.616 -8.029 2.779 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.571 -10.185 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.583 -7.292 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.758 -7.837 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.966 -9.119 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.607 -9.221 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.020 -7.473 6.009 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.130 -6.144 6.359 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.248 -10.042 0.449 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.208 -10.380 -0.964 1.00 0.00 C ATOM 1207 C ALA A 80 -7.795 -11.844 -1.123 1.00 0.00 C ATOM 1208 O ALA A 80 -8.429 -12.595 -1.861 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.259 -9.424 -1.691 1.00 0.00 C ATOM 0 H ALA A 80 -7.361 -10.154 0.940 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.194 -10.266 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.229 -9.677 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.613 -8.400 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.258 -9.513 -1.268 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.734 -12.206 -0.416 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.228 -13.567 -0.469 1.00 0.00 C ATOM 1217 C GLN A 81 -7.384 -14.566 -0.384 1.00 0.00 C ATOM 1218 O GLN A 81 -7.661 -15.112 0.683 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.206 -13.816 0.641 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.976 -12.921 0.466 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.387 -13.069 -0.938 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.546 -13.913 -1.200 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.874 -12.204 -1.824 1.00 0.00 N ATOM 0 H GLN A 81 -6.211 -11.580 0.197 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.720 -13.708 -1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.664 -13.625 1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.902 -14.863 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.251 -11.881 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.223 -13.182 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.577 -11.523 -1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.544 -12.222 -2.789 1.00 0.00 H new