USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 853 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 15 THR OG1 : rot -43:sc= -0.251 USER MOD Set 1.2: A 53 TYR OH : rot 53:sc= -0.115 USER MOD Single : A 1 CYS N :NH3+ 168:sc= -0.109 (180deg=-0.385) USER MOD Single : A 1 CYS SG : rot -53:sc= -0.118 USER MOD Single : A 3 SER OG : rot -83:sc= 0.154 USER MOD Single : A 5 THR OG1 : rot -52:sc= -2.99! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.42! C(o=-5.5!,f=-2.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 30:sc= 0.578 USER MOD Single : A 13 GLN :FLIP amide:sc= 0.397 F(o=-7.5!,f=0.4) USER MOD Single : A 17 THR OG1 : rot 87:sc= 0.904 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0395 K(o=-0.04,f=-1.5!) USER MOD Single : A 34 ASN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -2.41! C(o=-8.6!,f=-2.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.07 X(o=-1.1,f=-1) USER MOD Single : A 47 ASN : amide:sc= -2.52 K(o=-2.5,f=-7.5!) USER MOD Single : A 49 TYR OH : rot 81:sc= -0.739 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -114:sc= -0.454 (180deg=-3.12!) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00406) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.176 USER MOD Single : A 67 THR OG1 : rot -71:sc= 0.715 USER MOD Single : A 68 MET CE :methyl 178:sc= -0.039 (180deg=-0.0443) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.825 F(o=-2.8!,f=-0.82) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0649 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -107:sc= -1.41! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 36:sc= 0.566 USER MOD Single : A 81 SER OG : rot 180:sc= -0.135 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= -0.0504 (180deg=-0.787) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.245) USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= -0.13 (180deg=-0.281) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 100 THR OG1 : rot 64:sc= 0.333 USER MOD Single : A 101 GLN : amide:sc= -0.41 K(o=-0.41,f=-4.5!) USER MOD Single : A 105 SER OG : rot 108:sc= 0.81 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 81.985 8.275 17.078 1.00 0.00 N ATOM 2 CA CYS A 1 82.613 6.929 17.219 1.00 0.00 C ATOM 3 C CYS A 1 81.520 5.872 17.330 1.00 0.00 C ATOM 4 O CYS A 1 81.760 4.769 17.819 1.00 0.00 O ATOM 5 CB CYS A 1 83.489 6.907 18.473 1.00 0.00 C ATOM 6 SG CYS A 1 84.698 5.566 18.340 1.00 0.00 S ATOM 0 H1 CYS A 1 82.709 9.011 17.206 1.00 0.00 H new ATOM 0 H2 CYS A 1 81.564 8.364 16.131 1.00 0.00 H new ATOM 0 H3 CYS A 1 81.244 8.390 17.799 1.00 0.00 H new ATOM 0 HA CYS A 1 83.231 6.716 16.347 1.00 0.00 H new ATOM 0 HB2 CYS A 1 84.001 7.862 18.589 1.00 0.00 H new ATOM 0 HB3 CYS A 1 82.870 6.767 19.359 1.00 0.00 H new ATOM 0 HG CYS A 1 84.082 4.451 18.080 1.00 0.00 H new ATOM 14 N ASP A 2 80.321 6.218 16.872 1.00 0.00 N ATOM 15 CA ASP A 2 79.198 5.289 16.926 1.00 0.00 C ATOM 16 C ASP A 2 78.874 4.760 15.532 1.00 0.00 C ATOM 17 O ASP A 2 79.388 5.259 14.531 1.00 0.00 O ATOM 18 CB ASP A 2 77.968 5.990 17.505 1.00 0.00 C ATOM 19 CG ASP A 2 78.374 6.865 18.685 1.00 0.00 C ATOM 20 OD1 ASP A 2 79.155 6.401 19.502 1.00 0.00 O ATOM 21 OD2 ASP A 2 77.900 7.986 18.757 1.00 0.00 O ATOM 0 H ASP A 2 80.103 7.127 16.463 1.00 0.00 H new ATOM 0 HA ASP A 2 79.474 4.451 17.566 1.00 0.00 H new ATOM 0 HB2 ASP A 2 77.491 6.599 16.737 1.00 0.00 H new ATOM 0 HB3 ASP A 2 77.235 5.250 17.826 1.00 0.00 H new ATOM 26 N SER A 3 78.018 3.746 15.475 1.00 0.00 N ATOM 27 CA SER A 3 77.631 3.155 14.199 1.00 0.00 C ATOM 28 C SER A 3 76.728 4.102 13.419 1.00 0.00 C ATOM 29 O SER A 3 75.798 4.688 13.977 1.00 0.00 O ATOM 30 CB SER A 3 76.896 1.836 14.438 1.00 0.00 C ATOM 31 OG SER A 3 76.457 1.783 15.788 1.00 0.00 O ATOM 0 H SER A 3 77.581 3.318 16.291 1.00 0.00 H new ATOM 0 HA SER A 3 78.535 2.971 13.618 1.00 0.00 H new ATOM 0 HB2 SER A 3 76.044 1.753 13.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 77.555 0.995 14.224 1.00 0.00 H new ATOM 0 HG SER A 3 77.191 1.474 16.359 1.00 0.00 H new ATOM 37 N GLY A 4 77.004 4.251 12.128 1.00 0.00 N ATOM 38 CA GLY A 4 76.205 5.134 11.288 1.00 0.00 C ATOM 39 C GLY A 4 75.585 4.373 10.119 1.00 0.00 C ATOM 40 O GLY A 4 75.714 4.783 8.965 1.00 0.00 O ATOM 0 H GLY A 4 77.767 3.777 11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 4 75.417 5.593 11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.830 5.943 10.908 1.00 0.00 H new ATOM 44 N THR A 5 74.909 3.268 10.422 1.00 0.00 N ATOM 45 CA THR A 5 74.272 2.469 9.379 1.00 0.00 C ATOM 46 C THR A 5 73.404 1.369 9.980 1.00 0.00 C ATOM 47 O THR A 5 73.519 1.042 11.160 1.00 0.00 O ATOM 48 CB THR A 5 75.334 1.831 8.481 1.00 0.00 C ATOM 49 OG1 THR A 5 76.478 2.672 8.430 1.00 0.00 O ATOM 50 CG2 THR A 5 74.763 1.654 7.072 1.00 0.00 C ATOM 0 H THR A 5 74.789 2.909 11.369 1.00 0.00 H new ATOM 0 HA THR A 5 73.640 3.135 8.791 1.00 0.00 H new ATOM 0 HB THR A 5 75.619 0.859 8.883 1.00 0.00 H new ATOM 0 HG1 THR A 5 76.205 3.581 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 5 75.516 1.200 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 5 73.885 1.010 7.114 1.00 0.00 H new ATOM 0 HG23 THR A 5 74.481 2.627 6.669 1.00 0.00 H new ATOM 58 N GLY A 6 72.540 0.798 9.146 1.00 0.00 N ATOM 59 CA GLY A 6 71.657 -0.274 9.586 1.00 0.00 C ATOM 60 C GLY A 6 72.117 -1.609 9.011 1.00 0.00 C ATOM 61 O GLY A 6 71.303 -2.431 8.592 1.00 0.00 O ATOM 0 H GLY A 6 72.434 1.059 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 6 71.648 -0.323 10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 6 70.635 -0.066 9.268 1.00 0.00 H new ATOM 65 N LEU A 7 73.430 -1.811 8.994 1.00 0.00 N ATOM 66 CA LEU A 7 74.008 -3.045 8.472 1.00 0.00 C ATOM 67 C LEU A 7 73.264 -4.253 9.034 1.00 0.00 C ATOM 68 O LEU A 7 72.311 -4.106 9.799 1.00 0.00 O ATOM 69 CB LEU A 7 75.494 -3.117 8.846 1.00 0.00 C ATOM 70 CG LEU A 7 76.384 -2.657 7.669 1.00 0.00 C ATOM 71 CD1 LEU A 7 76.511 -3.787 6.642 1.00 0.00 C ATOM 72 CD2 LEU A 7 75.777 -1.432 6.975 1.00 0.00 C ATOM 0 H LEU A 7 74.115 -1.136 9.336 1.00 0.00 H new ATOM 0 HA LEU A 7 73.913 -3.053 7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 7 75.684 -2.490 9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 7 75.753 -4.138 9.125 1.00 0.00 H new ATOM 0 HG LEU A 7 77.364 -2.397 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 7 77.139 -3.458 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 7 76.962 -4.659 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 7 75.522 -4.049 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 7 76.420 -1.125 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 7 74.789 -1.684 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 7 75.690 -0.614 7.690 1.00 0.00 H new ATOM 84 N THR A 8 73.695 -5.447 8.645 1.00 0.00 N ATOM 85 CA THR A 8 73.046 -6.669 9.113 1.00 0.00 C ATOM 86 C THR A 8 73.991 -7.496 9.977 1.00 0.00 C ATOM 87 O THR A 8 73.571 -8.111 10.956 1.00 0.00 O ATOM 88 CB THR A 8 72.587 -7.503 7.916 1.00 0.00 C ATOM 89 OG1 THR A 8 71.367 -6.974 7.411 1.00 0.00 O ATOM 90 CG2 THR A 8 72.375 -8.954 8.351 1.00 0.00 C ATOM 0 H THR A 8 74.482 -5.597 8.014 1.00 0.00 H new ATOM 0 HA THR A 8 72.184 -6.386 9.718 1.00 0.00 H new ATOM 0 HB THR A 8 73.349 -7.469 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 8 71.073 -7.507 6.643 1.00 0.00 H new ATOM 0 HG21 THR A 8 72.048 -9.546 7.496 1.00 0.00 H new ATOM 0 HG22 THR A 8 73.311 -9.359 8.736 1.00 0.00 H new ATOM 0 HG23 THR A 8 71.615 -8.993 9.131 1.00 0.00 H new ATOM 98 N GLY A 9 75.264 -7.512 9.605 1.00 0.00 N ATOM 99 CA GLY A 9 76.255 -8.276 10.353 1.00 0.00 C ATOM 100 C GLY A 9 76.333 -9.709 9.839 1.00 0.00 C ATOM 101 O GLY A 9 76.163 -10.662 10.599 1.00 0.00 O ATOM 0 H GLY A 9 75.633 -7.010 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 9 77.231 -7.799 10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 9 75.996 -8.278 11.412 1.00 0.00 H new ATOM 105 N ASN A 10 76.585 -9.853 8.542 1.00 0.00 N ATOM 106 CA ASN A 10 76.677 -11.175 7.934 1.00 0.00 C ATOM 107 C ASN A 10 78.121 -11.500 7.561 1.00 0.00 C ATOM 108 O ASN A 10 79.059 -11.045 8.217 1.00 0.00 O ATOM 109 CB ASN A 10 75.800 -11.238 6.683 1.00 0.00 C ATOM 110 CG ASN A 10 75.421 -12.684 6.383 1.00 0.00 C ATOM 111 OD1 ASN A 10 76.035 -13.651 7.006 1.00 0.00 O flip ATOM 112 ND2 ASN A 10 74.540 -12.938 5.561 1.00 0.00 N flip ATOM 0 H ASN A 10 76.728 -9.077 7.896 1.00 0.00 H new ATOM 0 HA ASN A 10 76.329 -11.909 8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 10 74.900 -10.641 6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.332 -10.809 5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 10 74.062 -12.179 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 10 74.289 -13.907 5.366 1.00 0.00 H new ATOM 119 N TYR A 11 78.290 -12.292 6.506 1.00 0.00 N ATOM 120 CA TYR A 11 79.623 -12.678 6.057 1.00 0.00 C ATOM 121 C TYR A 11 79.940 -12.050 4.701 1.00 0.00 C ATOM 122 O TYR A 11 79.738 -10.852 4.501 1.00 0.00 O ATOM 123 CB TYR A 11 79.714 -14.203 5.955 1.00 0.00 C ATOM 124 CG TYR A 11 81.156 -14.635 6.074 1.00 0.00 C ATOM 125 CD1 TYR A 11 81.857 -14.407 7.264 1.00 0.00 C ATOM 126 CD2 TYR A 11 81.791 -15.266 4.997 1.00 0.00 C ATOM 127 CE1 TYR A 11 83.195 -14.809 7.377 1.00 0.00 C ATOM 128 CE2 TYR A 11 83.127 -15.669 5.111 1.00 0.00 C ATOM 129 CZ TYR A 11 83.829 -15.440 6.299 1.00 0.00 C ATOM 130 OH TYR A 11 85.147 -15.836 6.410 1.00 0.00 O ATOM 0 H TYR A 11 77.526 -12.676 5.950 1.00 0.00 H new ATOM 0 HA TYR A 11 80.351 -12.318 6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.119 -14.666 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 11 79.301 -14.539 5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 11 81.367 -13.921 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 11 81.250 -15.442 4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 11 83.737 -14.632 8.294 1.00 0.00 H new ATOM 0 HE2 TYR A 11 83.616 -16.157 4.281 1.00 0.00 H new ATOM 0 HH TYR A 11 85.433 -16.258 5.573 1.00 0.00 H new ATOM 140 N SER A 12 80.439 -12.864 3.775 1.00 0.00 N ATOM 141 CA SER A 12 80.783 -12.376 2.445 1.00 0.00 C ATOM 142 C SER A 12 79.606 -11.626 1.830 1.00 0.00 C ATOM 143 O SER A 12 79.789 -10.800 0.939 1.00 0.00 O ATOM 144 CB SER A 12 81.165 -13.549 1.544 1.00 0.00 C ATOM 145 OG SER A 12 82.195 -14.303 2.169 1.00 0.00 O ATOM 0 H SER A 12 80.613 -13.858 3.921 1.00 0.00 H new ATOM 0 HA SER A 12 81.629 -11.694 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.296 -14.181 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 12 81.503 -13.183 0.574 1.00 0.00 H new ATOM 0 HG SER A 12 82.109 -14.231 3.143 1.00 0.00 H new ATOM 151 N GLN A 13 78.399 -11.918 2.311 1.00 0.00 N ATOM 152 CA GLN A 13 77.202 -11.264 1.799 1.00 0.00 C ATOM 153 C GLN A 13 77.217 -9.777 2.144 1.00 0.00 C ATOM 154 O GLN A 13 77.102 -8.919 1.267 1.00 0.00 O ATOM 155 CB GLN A 13 75.949 -11.910 2.400 1.00 0.00 C ATOM 156 CG GLN A 13 75.754 -13.326 1.837 1.00 0.00 C ATOM 157 CD GLN A 13 76.378 -14.363 2.775 1.00 0.00 C ATOM 158 OE1 GLN A 13 77.672 -14.366 2.996 1.00 0.00 O flip ATOM 159 NE2 GLN A 13 75.665 -15.203 3.325 1.00 0.00 N flip ATOM 0 H GLN A 13 78.227 -12.599 3.050 1.00 0.00 H new ATOM 0 HA GLN A 13 77.187 -11.380 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.039 -11.953 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.074 -11.299 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 13 74.691 -13.532 1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 13 76.210 -13.398 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 13 74.659 -15.206 3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 13 76.081 -15.896 3.948 1.00 0.00 H new ATOM 168 N ASP A 14 77.362 -9.476 3.428 1.00 0.00 N ATOM 169 CA ASP A 14 77.393 -8.088 3.874 1.00 0.00 C ATOM 170 C ASP A 14 78.716 -7.440 3.488 1.00 0.00 C ATOM 171 O ASP A 14 78.785 -6.231 3.273 1.00 0.00 O ATOM 172 CB ASP A 14 77.211 -8.021 5.392 1.00 0.00 C ATOM 173 CG ASP A 14 75.758 -8.317 5.755 1.00 0.00 C ATOM 174 OD1 ASP A 14 74.969 -8.512 4.847 1.00 0.00 O ATOM 175 OD2 ASP A 14 75.458 -8.342 6.938 1.00 0.00 O ATOM 0 H ASP A 14 77.459 -10.166 4.173 1.00 0.00 H new ATOM 0 HA ASP A 14 76.579 -7.549 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.870 -8.740 5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 14 77.492 -7.033 5.757 1.00 0.00 H new ATOM 180 N THR A 15 79.763 -8.253 3.412 1.00 0.00 N ATOM 181 CA THR A 15 81.085 -7.748 3.063 1.00 0.00 C ATOM 182 C THR A 15 81.126 -7.250 1.623 1.00 0.00 C ATOM 183 O THR A 15 81.604 -6.152 1.361 1.00 0.00 O ATOM 184 CB THR A 15 82.122 -8.855 3.231 1.00 0.00 C ATOM 185 OG1 THR A 15 81.807 -9.627 4.381 1.00 0.00 O ATOM 186 CG2 THR A 15 83.513 -8.238 3.389 1.00 0.00 C ATOM 0 H THR A 15 79.723 -9.257 3.586 1.00 0.00 H new ATOM 0 HA THR A 15 81.309 -6.915 3.729 1.00 0.00 H new ATOM 0 HB THR A 15 82.113 -9.497 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.544 -9.031 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.251 -9.031 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 15 83.753 -7.650 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.527 -7.593 4.268 1.00 0.00 H new ATOM 194 N LEU A 16 80.632 -8.061 0.693 1.00 0.00 N ATOM 195 CA LEU A 16 80.639 -7.677 -0.716 1.00 0.00 C ATOM 196 C LEU A 16 79.622 -6.573 -0.981 1.00 0.00 C ATOM 197 O LEU A 16 79.800 -5.762 -1.887 1.00 0.00 O ATOM 198 CB LEU A 16 80.339 -8.891 -1.601 1.00 0.00 C ATOM 199 CG LEU A 16 78.904 -9.368 -1.352 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.898 -8.538 -2.167 1.00 0.00 C ATOM 201 CD2 LEU A 16 78.780 -10.840 -1.753 1.00 0.00 C ATOM 0 H LEU A 16 80.226 -8.977 0.885 1.00 0.00 H new ATOM 0 HA LEU A 16 81.632 -7.298 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.469 -8.629 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.043 -9.695 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 16 78.681 -9.245 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 16 76.888 -8.897 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.973 -7.490 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.120 -8.638 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 16 77.760 -11.181 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 16 79.022 -10.951 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 16 79.470 -11.438 -1.158 1.00 0.00 H new ATOM 213 N THR A 17 78.555 -6.546 -0.190 1.00 0.00 N ATOM 214 CA THR A 17 77.524 -5.528 -0.362 1.00 0.00 C ATOM 215 C THR A 17 78.100 -4.133 -0.126 1.00 0.00 C ATOM 216 O THR A 17 78.035 -3.265 -1.001 1.00 0.00 O ATOM 217 CB THR A 17 76.376 -5.778 0.618 1.00 0.00 C ATOM 218 OG1 THR A 17 75.569 -6.845 0.139 1.00 0.00 O ATOM 219 CG2 THR A 17 75.527 -4.510 0.746 1.00 0.00 C ATOM 0 H THR A 17 78.382 -7.207 0.567 1.00 0.00 H new ATOM 0 HA THR A 17 77.151 -5.586 -1.384 1.00 0.00 H new ATOM 0 HB THR A 17 76.782 -6.041 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 17 75.939 -7.699 0.447 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.709 -4.689 1.444 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.147 -3.693 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.120 -4.245 -0.230 1.00 0.00 H new ATOM 227 N VAL A 18 78.663 -3.923 1.060 1.00 0.00 N ATOM 228 CA VAL A 18 79.241 -2.627 1.398 1.00 0.00 C ATOM 229 C VAL A 18 80.396 -2.288 0.461 1.00 0.00 C ATOM 230 O VAL A 18 80.432 -1.204 -0.127 1.00 0.00 O ATOM 231 CB VAL A 18 79.733 -2.635 2.844 1.00 0.00 C ATOM 232 CG1 VAL A 18 80.700 -3.801 3.046 1.00 0.00 C ATOM 233 CG2 VAL A 18 80.454 -1.319 3.145 1.00 0.00 C ATOM 0 H VAL A 18 78.731 -4.626 1.796 1.00 0.00 H new ATOM 0 HA VAL A 18 78.468 -1.867 1.284 1.00 0.00 H new ATOM 0 HB VAL A 18 78.882 -2.746 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.052 -3.807 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 80.189 -4.739 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.550 -3.689 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.805 -1.324 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.305 -1.208 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.766 -0.486 3.000 1.00 0.00 H new ATOM 243 N ILE A 19 81.339 -3.214 0.318 1.00 0.00 N ATOM 244 CA ILE A 19 82.481 -2.987 -0.557 1.00 0.00 C ATOM 245 C ILE A 19 82.010 -2.644 -1.950 1.00 0.00 C ATOM 246 O ILE A 19 82.581 -1.779 -2.606 1.00 0.00 O ATOM 247 CB ILE A 19 83.395 -4.227 -0.586 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.791 -3.846 -0.083 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.503 -4.797 -2.009 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.445 -2.859 -1.052 1.00 0.00 C ATOM 0 H ILE A 19 81.335 -4.118 0.791 1.00 0.00 H new ATOM 0 HA ILE A 19 83.057 -2.147 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 19 82.961 -4.990 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 19 84.720 -3.401 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 19 85.409 -4.739 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.154 -5.671 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.513 -5.084 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 19 83.920 -4.040 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.437 -2.594 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.532 -3.319 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 19 84.833 -1.960 -1.124 1.00 0.00 H new ATOM 262 N ALA A 20 80.970 -3.324 -2.402 1.00 0.00 N ATOM 263 CA ALA A 20 80.456 -3.074 -3.732 1.00 0.00 C ATOM 264 C ALA A 20 80.080 -1.608 -3.894 1.00 0.00 C ATOM 265 O ALA A 20 80.397 -0.986 -4.908 1.00 0.00 O ATOM 266 CB ALA A 20 79.239 -3.958 -4.008 1.00 0.00 C ATOM 0 H ALA A 20 80.473 -4.042 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 20 81.239 -3.316 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.864 -3.758 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.526 -5.007 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.458 -3.740 -3.279 1.00 0.00 H new ATOM 272 N THR A 21 79.415 -1.057 -2.888 1.00 0.00 N ATOM 273 CA THR A 21 79.017 0.344 -2.939 1.00 0.00 C ATOM 274 C THR A 21 80.247 1.241 -3.035 1.00 0.00 C ATOM 275 O THR A 21 80.230 2.268 -3.715 1.00 0.00 O ATOM 276 CB THR A 21 78.216 0.704 -1.686 1.00 0.00 C ATOM 277 OG1 THR A 21 77.134 -0.207 -1.540 1.00 0.00 O ATOM 278 CG2 THR A 21 77.671 2.128 -1.811 1.00 0.00 C ATOM 0 H THR A 21 79.142 -1.550 -2.038 1.00 0.00 H new ATOM 0 HA THR A 21 78.396 0.498 -3.822 1.00 0.00 H new ATOM 0 HB THR A 21 78.866 0.644 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 21 76.621 0.021 -0.737 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.101 2.379 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.500 2.827 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.022 2.194 -2.684 1.00 0.00 H new ATOM 286 N LEU A 22 81.312 0.849 -2.345 1.00 0.00 N ATOM 287 CA LEU A 22 82.542 1.632 -2.352 1.00 0.00 C ATOM 288 C LEU A 22 83.173 1.660 -3.744 1.00 0.00 C ATOM 289 O LEU A 22 83.493 2.733 -4.268 1.00 0.00 O ATOM 290 CB LEU A 22 83.538 1.029 -1.362 1.00 0.00 C ATOM 291 CG LEU A 22 83.291 1.573 0.051 1.00 0.00 C ATOM 292 CD1 LEU A 22 82.059 0.898 0.658 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.510 1.274 0.927 1.00 0.00 C ATOM 0 H LEU A 22 81.349 0.002 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 22 82.295 2.654 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.446 -0.057 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.556 1.262 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 22 83.126 2.649 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 81.888 1.288 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 22 81.188 1.103 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.222 -0.178 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.339 1.659 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.669 0.197 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 22 85.391 1.753 0.500 1.00 0.00 H new ATOM 305 N ARG A 23 83.349 0.486 -4.350 1.00 0.00 N ATOM 306 CA ARG A 23 83.938 0.432 -5.682 1.00 0.00 C ATOM 307 C ARG A 23 83.085 1.252 -6.636 1.00 0.00 C ATOM 308 O ARG A 23 83.584 1.841 -7.597 1.00 0.00 O ATOM 309 CB ARG A 23 84.038 -1.013 -6.189 1.00 0.00 C ATOM 310 CG ARG A 23 84.198 -1.977 -5.003 1.00 0.00 C ATOM 311 CD ARG A 23 84.982 -3.234 -5.414 1.00 0.00 C ATOM 312 NE ARG A 23 84.273 -4.432 -4.978 1.00 0.00 N ATOM 313 CZ ARG A 23 83.076 -4.738 -5.466 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.513 -3.961 -6.351 1.00 0.00 N ATOM 315 NH2 ARG A 23 82.463 -5.816 -5.059 1.00 0.00 N ATOM 0 H ARG A 23 83.098 -0.418 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 23 84.947 0.841 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 23 83.145 -1.270 -6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 23 84.887 -1.112 -6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 23 84.716 -1.472 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 23 83.215 -2.264 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.113 -3.253 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.978 -3.211 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 23 84.704 -5.045 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 23 82.992 -3.118 -6.668 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.594 -4.197 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 23 82.903 -6.422 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 23 81.544 -6.052 -5.433 1.00 0.00 H new ATOM 329 N GLU A 24 81.788 1.299 -6.351 1.00 0.00 N ATOM 330 CA GLU A 24 80.871 2.062 -7.181 1.00 0.00 C ATOM 331 C GLU A 24 81.111 3.548 -6.988 1.00 0.00 C ATOM 332 O GLU A 24 80.904 4.350 -7.893 1.00 0.00 O ATOM 333 CB GLU A 24 79.422 1.717 -6.828 1.00 0.00 C ATOM 334 CG GLU A 24 78.498 2.170 -7.960 1.00 0.00 C ATOM 335 CD GLU A 24 77.081 1.664 -7.711 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.947 0.566 -7.196 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.151 2.381 -8.044 1.00 0.00 O ATOM 0 H GLU A 24 81.354 0.823 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 24 81.048 1.805 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.321 0.643 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.138 2.205 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.498 3.258 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.866 1.792 -8.914 1.00 0.00 H new ATOM 344 N ALA A 25 81.558 3.899 -5.797 1.00 0.00 N ATOM 345 CA ALA A 25 81.834 5.293 -5.467 1.00 0.00 C ATOM 346 C ALA A 25 82.979 5.840 -6.318 1.00 0.00 C ATOM 347 O ALA A 25 82.880 6.933 -6.873 1.00 0.00 O ATOM 348 CB ALA A 25 82.194 5.419 -3.986 1.00 0.00 C ATOM 0 H ALA A 25 81.739 3.241 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 25 80.936 5.874 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.398 6.463 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.362 5.065 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.079 4.819 -3.774 1.00 0.00 H new ATOM 354 N ILE A 26 84.063 5.077 -6.418 1.00 0.00 N ATOM 355 CA ILE A 26 85.213 5.515 -7.209 1.00 0.00 C ATOM 356 C ILE A 26 84.863 5.510 -8.691 1.00 0.00 C ATOM 357 O ILE A 26 85.425 6.278 -9.474 1.00 0.00 O ATOM 358 CB ILE A 26 86.415 4.596 -6.966 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.717 5.409 -7.076 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.426 3.478 -8.013 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.840 4.518 -7.609 1.00 0.00 C ATOM 0 H ILE A 26 84.172 4.167 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 26 85.473 6.528 -6.902 1.00 0.00 H new ATOM 0 HB ILE A 26 86.340 4.162 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.570 6.261 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 26 87.990 5.809 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.281 2.825 -7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.506 2.899 -7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.499 3.914 -9.010 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.760 5.098 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.994 3.681 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.567 4.139 -8.594 1.00 0.00 H new ATOM 373 N ASP A 27 83.937 4.639 -9.071 1.00 0.00 N ATOM 374 CA ASP A 27 83.529 4.542 -10.467 1.00 0.00 C ATOM 375 C ASP A 27 82.021 4.354 -10.584 1.00 0.00 C ATOM 376 O ASP A 27 81.549 3.391 -11.187 1.00 0.00 O ATOM 377 CB ASP A 27 84.244 3.367 -11.140 1.00 0.00 C ATOM 378 CG ASP A 27 85.689 3.743 -11.444 1.00 0.00 C ATOM 379 OD1 ASP A 27 86.010 4.916 -11.345 1.00 0.00 O ATOM 380 OD2 ASP A 27 86.456 2.852 -11.772 1.00 0.00 O ATOM 0 H ASP A 27 83.459 3.996 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 27 83.803 5.472 -10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 27 84.216 2.493 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 27 83.728 3.096 -12.061 1.00 0.00 H new ATOM 385 N LEU A 28 81.268 5.284 -10.006 1.00 0.00 N ATOM 386 CA LEU A 28 79.809 5.209 -10.059 1.00 0.00 C ATOM 387 C LEU A 28 79.309 5.613 -11.443 1.00 0.00 C ATOM 388 O LEU A 28 79.976 6.365 -12.154 1.00 0.00 O ATOM 389 CB LEU A 28 79.167 6.128 -9.011 1.00 0.00 C ATOM 390 CG LEU A 28 80.051 7.349 -8.757 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.241 8.123 -10.062 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.367 8.246 -7.732 1.00 0.00 C ATOM 0 H LEU A 28 81.636 6.090 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 28 79.525 4.178 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.183 6.449 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.017 5.580 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 28 81.024 7.030 -8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.871 8.993 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.717 7.479 -10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.271 8.449 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.988 9.121 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.398 8.565 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.224 7.694 -6.803 1.00 0.00 H new ATOM 404 N PRO A 29 78.152 5.145 -11.833 1.00 0.00 N ATOM 405 CA PRO A 29 77.561 5.486 -13.157 1.00 0.00 C ATOM 406 C PRO A 29 77.501 6.997 -13.373 1.00 0.00 C ATOM 407 O PRO A 29 77.525 7.770 -12.415 1.00 0.00 O ATOM 408 CB PRO A 29 76.149 4.884 -13.118 1.00 0.00 C ATOM 409 CG PRO A 29 75.914 4.444 -11.707 1.00 0.00 C ATOM 410 CD PRO A 29 77.284 4.243 -11.068 1.00 0.00 C ATOM 0 HA PRO A 29 78.159 5.094 -13.980 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.405 5.619 -13.424 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.067 4.042 -13.806 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.340 5.192 -11.160 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.338 3.519 -11.682 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.274 4.498 -10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.615 3.207 -11.144 1.00 0.00 H new ATOM 418 N GLN A 30 77.428 7.410 -14.633 1.00 0.00 N ATOM 419 CA GLN A 30 77.370 8.831 -14.960 1.00 0.00 C ATOM 420 C GLN A 30 76.140 9.485 -14.335 1.00 0.00 C ATOM 421 O GLN A 30 75.875 10.667 -14.554 1.00 0.00 O ATOM 422 CB GLN A 30 77.335 9.016 -16.478 1.00 0.00 C ATOM 423 CG GLN A 30 78.764 9.170 -17.002 1.00 0.00 C ATOM 424 CD GLN A 30 78.773 9.085 -18.524 1.00 0.00 C ATOM 425 OE1 GLN A 30 77.951 8.383 -19.112 1.00 0.00 O ATOM 426 NE2 GLN A 30 79.659 9.763 -19.200 1.00 0.00 N ATOM 0 H GLN A 30 77.408 6.787 -15.440 1.00 0.00 H new ATOM 0 HA GLN A 30 78.261 9.310 -14.555 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.853 8.159 -16.949 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.744 9.895 -16.735 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.177 10.126 -16.680 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.400 8.391 -16.582 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.339 10.344 -18.710 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.672 9.712 -20.219 1.00 0.00 H new ATOM 435 N ASP A 31 75.387 8.709 -13.560 1.00 0.00 N ATOM 436 CA ASP A 31 74.186 9.228 -12.916 1.00 0.00 C ATOM 437 C ASP A 31 74.521 9.868 -11.570 1.00 0.00 C ATOM 438 O ASP A 31 73.624 10.256 -10.820 1.00 0.00 O ATOM 439 CB ASP A 31 73.177 8.095 -12.704 1.00 0.00 C ATOM 440 CG ASP A 31 72.971 7.329 -14.005 1.00 0.00 C ATOM 441 OD1 ASP A 31 73.606 7.682 -14.985 1.00 0.00 O ATOM 442 OD2 ASP A 31 72.181 6.400 -14.004 1.00 0.00 O ATOM 0 H ASP A 31 75.585 7.728 -13.364 1.00 0.00 H new ATOM 0 HA ASP A 31 73.754 9.989 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.535 7.419 -11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.227 8.503 -12.359 1.00 0.00 H new ATOM 447 N ALA A 32 75.811 9.979 -11.268 1.00 0.00 N ATOM 448 CA ALA A 32 76.238 10.578 -10.007 1.00 0.00 C ATOM 449 C ALA A 32 77.579 11.288 -10.173 1.00 0.00 C ATOM 450 O ALA A 32 78.611 10.803 -9.709 1.00 0.00 O ATOM 451 CB ALA A 32 76.360 9.502 -8.926 1.00 0.00 C ATOM 0 H ALA A 32 76.572 9.666 -11.871 1.00 0.00 H new ATOM 0 HA ALA A 32 75.487 11.309 -9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.679 9.961 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.393 9.019 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.095 8.758 -9.234 1.00 0.00 H new ATOM 457 N PRO A 33 77.576 12.422 -10.819 1.00 0.00 N ATOM 458 CA PRO A 33 78.810 13.227 -11.051 1.00 0.00 C ATOM 459 C PRO A 33 79.400 13.755 -9.745 1.00 0.00 C ATOM 460 O PRO A 33 79.984 14.838 -9.706 1.00 0.00 O ATOM 461 CB PRO A 33 78.350 14.386 -11.946 1.00 0.00 C ATOM 462 CG PRO A 33 76.980 14.027 -12.427 1.00 0.00 C ATOM 463 CD PRO A 33 76.391 13.061 -11.401 1.00 0.00 C ATOM 0 HA PRO A 33 79.599 12.629 -11.507 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.334 15.324 -11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 33 79.033 14.524 -12.784 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.358 14.917 -12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 33 77.025 13.564 -13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.805 13.585 -10.646 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.730 12.332 -11.869 1.00 0.00 H new ATOM 471 N ASN A 34 79.241 12.981 -8.675 1.00 0.00 N ATOM 472 CA ASN A 34 79.758 13.378 -7.372 1.00 0.00 C ATOM 473 C ASN A 34 80.299 12.164 -6.626 1.00 0.00 C ATOM 474 O ASN A 34 79.734 11.736 -5.619 1.00 0.00 O ATOM 475 CB ASN A 34 78.651 14.039 -6.549 1.00 0.00 C ATOM 476 CG ASN A 34 77.293 13.489 -6.967 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.512 14.188 -7.614 1.00 0.00 O ATOM 478 ND2 ASN A 34 76.960 12.271 -6.637 1.00 0.00 N ATOM 0 H ASN A 34 78.761 12.081 -8.685 1.00 0.00 H new ATOM 0 HA ASN A 34 80.569 14.091 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 34 78.816 13.855 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 34 78.675 15.119 -6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 34 76.053 11.897 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 34 77.607 11.693 -6.101 1.00 0.00 H new ATOM 485 N ARG A 35 81.400 11.615 -7.126 1.00 0.00 N ATOM 486 CA ARG A 35 82.014 10.451 -6.499 1.00 0.00 C ATOM 487 C ARG A 35 82.264 10.725 -5.019 1.00 0.00 C ATOM 488 O ARG A 35 82.493 9.805 -4.233 1.00 0.00 O ATOM 489 CB ARG A 35 83.344 10.120 -7.185 1.00 0.00 C ATOM 490 CG ARG A 35 83.103 9.737 -8.653 1.00 0.00 C ATOM 491 CD ARG A 35 82.643 10.958 -9.462 1.00 0.00 C ATOM 492 NE ARG A 35 83.272 12.178 -8.966 1.00 0.00 N ATOM 493 CZ ARG A 35 84.563 12.425 -9.179 1.00 0.00 C ATOM 494 NH1 ARG A 35 85.288 11.570 -9.849 1.00 0.00 N ATOM 495 NH2 ARG A 35 85.100 13.522 -8.723 1.00 0.00 N ATOM 0 H ARG A 35 81.883 11.954 -7.958 1.00 0.00 H new ATOM 0 HA ARG A 35 81.336 9.604 -6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 35 84.013 10.979 -7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.836 9.299 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.019 9.333 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 35 82.350 8.951 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.892 10.817 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.559 11.052 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 35 82.712 12.854 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 35 84.865 10.714 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 35 86.277 11.758 -10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 35 84.531 14.191 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 35 86.089 13.712 -8.886 1.00 0.00 H new ATOM 509 N GLN A 36 82.227 12.003 -4.651 1.00 0.00 N ATOM 510 CA GLN A 36 82.459 12.406 -3.267 1.00 0.00 C ATOM 511 C GLN A 36 81.238 12.133 -2.391 1.00 0.00 C ATOM 512 O GLN A 36 81.362 11.596 -1.292 1.00 0.00 O ATOM 513 CB GLN A 36 82.798 13.896 -3.212 1.00 0.00 C ATOM 514 CG GLN A 36 83.122 14.292 -1.770 1.00 0.00 C ATOM 515 CD GLN A 36 83.746 15.682 -1.738 1.00 0.00 C ATOM 516 OE1 GLN A 36 84.877 15.865 -2.192 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.077 16.677 -1.227 1.00 0.00 N ATOM 0 H GLN A 36 82.039 12.775 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 36 83.293 11.818 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 36 83.648 14.111 -3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.959 14.485 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 36 82.214 14.278 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 36 83.807 13.567 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 36 82.141 16.523 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.489 17.610 -1.202 1.00 0.00 H new ATOM 526 N GLU A 37 80.060 12.518 -2.873 1.00 0.00 N ATOM 527 CA GLU A 37 78.836 12.315 -2.105 1.00 0.00 C ATOM 528 C GLU A 37 78.593 10.831 -1.858 1.00 0.00 C ATOM 529 O GLU A 37 78.492 10.390 -0.709 1.00 0.00 O ATOM 530 CB GLU A 37 77.643 12.913 -2.851 1.00 0.00 C ATOM 531 CG GLU A 37 77.713 14.440 -2.789 1.00 0.00 C ATOM 532 CD GLU A 37 76.638 15.048 -3.682 1.00 0.00 C ATOM 533 OE1 GLU A 37 75.508 14.597 -3.607 1.00 0.00 O ATOM 534 OE2 GLU A 37 76.962 15.959 -4.428 1.00 0.00 O ATOM 0 H GLU A 37 79.927 12.966 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 37 78.950 12.815 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.646 12.580 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.711 12.563 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.577 14.777 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 37 78.698 14.780 -3.108 1.00 0.00 H new ATOM 541 N VAL A 38 78.506 10.060 -2.933 1.00 0.00 N ATOM 542 CA VAL A 38 78.284 8.628 -2.800 1.00 0.00 C ATOM 543 C VAL A 38 79.312 8.041 -1.843 1.00 0.00 C ATOM 544 O VAL A 38 78.996 7.168 -1.035 1.00 0.00 O ATOM 545 CB VAL A 38 78.402 7.953 -4.163 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.333 6.435 -3.993 1.00 0.00 C ATOM 547 CG2 VAL A 38 77.258 8.417 -5.072 1.00 0.00 C ATOM 0 H VAL A 38 78.584 10.396 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 38 77.282 8.455 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 38 79.356 8.225 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.418 5.955 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.151 6.103 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.381 6.163 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.346 7.932 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.303 8.151 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.310 9.498 -5.199 1.00 0.00 H new ATOM 557 N GLN A 39 80.543 8.541 -1.927 1.00 0.00 N ATOM 558 CA GLN A 39 81.602 8.069 -1.046 1.00 0.00 C ATOM 559 C GLN A 39 81.218 8.341 0.401 1.00 0.00 C ATOM 560 O GLN A 39 81.478 7.529 1.287 1.00 0.00 O ATOM 561 CB GLN A 39 82.921 8.772 -1.376 1.00 0.00 C ATOM 562 CG GLN A 39 84.020 8.254 -0.445 1.00 0.00 C ATOM 563 CD GLN A 39 84.197 9.205 0.733 1.00 0.00 C ATOM 564 OE1 GLN A 39 83.222 10.003 1.069 1.00 0.00 O flip ATOM 565 NE2 GLN A 39 85.256 9.221 1.364 1.00 0.00 N flip ATOM 0 H GLN A 39 80.827 9.264 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 39 81.733 6.997 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 39 83.193 8.589 -2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.810 9.850 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.762 7.258 -0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.958 8.162 -0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 39 86.017 8.596 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 39 85.371 9.860 2.151 1.00 0.00 H new ATOM 574 N ASP A 40 80.577 9.486 0.633 1.00 0.00 N ATOM 575 CA ASP A 40 80.142 9.838 1.977 1.00 0.00 C ATOM 576 C ASP A 40 79.236 8.741 2.518 1.00 0.00 C ATOM 577 O ASP A 40 79.392 8.288 3.655 1.00 0.00 O ATOM 578 CB ASP A 40 79.389 11.170 1.959 1.00 0.00 C ATOM 579 CG ASP A 40 79.393 11.792 3.352 1.00 0.00 C ATOM 580 OD1 ASP A 40 78.620 11.343 4.182 1.00 0.00 O ATOM 581 OD2 ASP A 40 80.171 12.706 3.567 1.00 0.00 O ATOM 0 H ASP A 40 80.351 10.175 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 40 81.016 9.940 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.855 11.851 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 40 78.363 11.013 1.625 1.00 0.00 H new ATOM 586 N THR A 41 78.300 8.300 1.683 1.00 0.00 N ATOM 587 CA THR A 41 77.387 7.235 2.077 1.00 0.00 C ATOM 588 C THR A 41 78.189 6.004 2.476 1.00 0.00 C ATOM 589 O THR A 41 77.912 5.365 3.493 1.00 0.00 O ATOM 590 CB THR A 41 76.449 6.890 0.919 1.00 0.00 C ATOM 591 OG1 THR A 41 75.685 8.037 0.570 1.00 0.00 O ATOM 592 CG2 THR A 41 75.510 5.758 1.339 1.00 0.00 C ATOM 0 H THR A 41 78.155 8.660 0.740 1.00 0.00 H new ATOM 0 HA THR A 41 76.789 7.571 2.924 1.00 0.00 H new ATOM 0 HB THR A 41 77.038 6.570 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 41 75.085 7.817 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.842 5.514 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.096 4.878 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.921 6.074 2.200 1.00 0.00 H new ATOM 600 N ALA A 42 79.203 5.689 1.673 1.00 0.00 N ATOM 601 CA ALA A 42 80.057 4.547 1.958 1.00 0.00 C ATOM 602 C ALA A 42 80.698 4.724 3.327 1.00 0.00 C ATOM 603 O ALA A 42 80.839 3.768 4.087 1.00 0.00 O ATOM 604 CB ALA A 42 81.144 4.421 0.890 1.00 0.00 C ATOM 0 H ALA A 42 79.449 6.205 0.828 1.00 0.00 H new ATOM 0 HA ALA A 42 79.453 3.639 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.777 3.562 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.680 4.284 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.751 5.326 0.880 1.00 0.00 H new ATOM 610 N ARG A 43 81.071 5.963 3.639 1.00 0.00 N ATOM 611 CA ARG A 43 81.676 6.260 4.928 1.00 0.00 C ATOM 612 C ARG A 43 80.752 5.783 6.038 1.00 0.00 C ATOM 613 O ARG A 43 81.195 5.178 7.015 1.00 0.00 O ATOM 614 CB ARG A 43 81.917 7.765 5.066 1.00 0.00 C ATOM 615 CG ARG A 43 83.290 8.007 5.693 1.00 0.00 C ATOM 616 CD ARG A 43 83.486 9.506 5.934 1.00 0.00 C ATOM 617 NE ARG A 43 84.383 9.722 7.064 1.00 0.00 N ATOM 618 CZ ARG A 43 84.007 9.431 8.306 1.00 0.00 C ATOM 619 NH1 ARG A 43 82.818 8.941 8.529 1.00 0.00 N ATOM 620 NH2 ARG A 43 84.826 9.635 9.301 1.00 0.00 N ATOM 0 H ARG A 43 80.965 6.768 3.022 1.00 0.00 H new ATOM 0 HA ARG A 43 82.634 5.745 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.863 8.244 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 43 81.139 8.213 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.373 7.463 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 43 84.073 7.628 5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 43 83.897 9.975 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 43 82.524 9.979 6.129 1.00 0.00 H new ATOM 0 HE ARG A 43 85.315 10.103 6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.178 8.782 7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 43 82.529 8.718 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 43 85.755 10.018 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 43 84.537 9.412 10.253 1.00 0.00 H new ATOM 634 N GLY A 44 79.460 6.046 5.870 1.00 0.00 N ATOM 635 CA GLY A 44 78.472 5.623 6.854 1.00 0.00 C ATOM 636 C GLY A 44 78.539 4.114 7.045 1.00 0.00 C ATOM 637 O GLY A 44 78.588 3.620 8.172 1.00 0.00 O ATOM 0 H GLY A 44 79.076 6.546 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.654 6.126 7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.473 5.912 6.526 1.00 0.00 H new ATOM 641 N GLN A 45 78.556 3.385 5.931 1.00 0.00 N ATOM 642 CA GLN A 45 78.634 1.929 5.985 1.00 0.00 C ATOM 643 C GLN A 45 79.894 1.499 6.724 1.00 0.00 C ATOM 644 O GLN A 45 79.895 0.492 7.424 1.00 0.00 O ATOM 645 CB GLN A 45 78.646 1.354 4.568 1.00 0.00 C ATOM 646 CG GLN A 45 77.352 1.736 3.848 1.00 0.00 C ATOM 647 CD GLN A 45 76.468 0.506 3.678 1.00 0.00 C ATOM 648 OE1 GLN A 45 75.309 0.510 4.097 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.946 -0.554 3.084 1.00 0.00 N ATOM 0 H GLN A 45 78.517 3.775 4.989 1.00 0.00 H new ATOM 0 HA GLN A 45 77.762 1.550 6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.506 1.735 4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.746 0.269 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.821 2.500 4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.582 2.167 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 45 77.905 -0.556 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.360 -1.380 2.966 1.00 0.00 H new ATOM 658 N ILE A 46 80.962 2.273 6.566 1.00 0.00 N ATOM 659 CA ILE A 46 82.225 1.964 7.230 1.00 0.00 C ATOM 660 C ILE A 46 82.116 2.199 8.728 1.00 0.00 C ATOM 661 O ILE A 46 82.571 1.380 9.524 1.00 0.00 O ATOM 662 CB ILE A 46 83.347 2.826 6.649 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.542 2.475 5.173 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.644 2.561 7.413 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.554 1.332 5.047 1.00 0.00 C ATOM 0 H ILE A 46 80.980 3.113 5.988 1.00 0.00 H new ATOM 0 HA ILE A 46 82.455 0.912 7.060 1.00 0.00 H new ATOM 0 HB ILE A 46 83.083 3.879 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 46 82.590 2.182 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 46 83.894 3.348 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.443 3.176 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.504 2.810 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.912 1.508 7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.692 1.083 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.508 1.641 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 84.183 0.457 5.581 1.00 0.00 H new ATOM 677 N ASN A 47 81.506 3.310 9.115 1.00 0.00 N ATOM 678 CA ASN A 47 81.351 3.605 10.530 1.00 0.00 C ATOM 679 C ASN A 47 80.688 2.427 11.227 1.00 0.00 C ATOM 680 O ASN A 47 81.128 1.992 12.289 1.00 0.00 O ATOM 681 CB ASN A 47 80.501 4.865 10.719 1.00 0.00 C ATOM 682 CG ASN A 47 81.072 6.007 9.884 1.00 0.00 C ATOM 683 OD1 ASN A 47 82.069 5.830 9.186 1.00 0.00 O ATOM 684 ND2 ASN A 47 80.493 7.177 9.918 1.00 0.00 N ATOM 0 H ASN A 47 81.117 4.009 8.482 1.00 0.00 H new ATOM 0 HA ASN A 47 82.335 3.777 10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.471 4.667 10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.482 5.147 11.772 1.00 0.00 H new ATOM 0 HD21 ASN A 47 80.867 7.948 9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 47 79.666 7.320 10.498 1.00 0.00 H new ATOM 691 N ASP A 48 79.638 1.908 10.610 1.00 0.00 N ATOM 692 CA ASP A 48 78.922 0.769 11.164 1.00 0.00 C ATOM 693 C ASP A 48 79.748 -0.505 11.012 1.00 0.00 C ATOM 694 O ASP A 48 79.921 -1.261 11.966 1.00 0.00 O ATOM 695 CB ASP A 48 77.595 0.602 10.434 1.00 0.00 C ATOM 696 CG ASP A 48 76.871 -0.638 10.936 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.490 -1.689 10.967 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.706 -0.521 11.276 1.00 0.00 O ATOM 0 H ASP A 48 79.263 2.256 9.728 1.00 0.00 H new ATOM 0 HA ASP A 48 78.742 0.948 12.224 1.00 0.00 H new ATOM 0 HB2 ASP A 48 76.973 1.483 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.770 0.521 9.361 1.00 0.00 H new ATOM 703 N TYR A 49 80.258 -0.731 9.805 1.00 0.00 N ATOM 704 CA TYR A 49 81.063 -1.913 9.541 1.00 0.00 C ATOM 705 C TYR A 49 82.128 -2.066 10.614 1.00 0.00 C ATOM 706 O TYR A 49 82.210 -3.095 11.277 1.00 0.00 O ATOM 707 CB TYR A 49 81.739 -1.791 8.174 1.00 0.00 C ATOM 708 CG TYR A 49 82.361 -3.112 7.788 1.00 0.00 C ATOM 709 CD1 TYR A 49 83.548 -3.537 8.400 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.753 -3.909 6.811 1.00 0.00 C ATOM 711 CE1 TYR A 49 84.124 -4.760 8.034 1.00 0.00 C ATOM 712 CE2 TYR A 49 82.332 -5.130 6.446 1.00 0.00 C ATOM 713 CZ TYR A 49 83.516 -5.556 7.056 1.00 0.00 C ATOM 714 OH TYR A 49 84.083 -6.759 6.694 1.00 0.00 O ATOM 0 H TYR A 49 80.128 -0.115 9.002 1.00 0.00 H new ATOM 0 HA TYR A 49 80.412 -2.787 9.547 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.009 -1.490 7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.503 -1.014 8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 49 84.018 -2.922 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.838 -3.582 6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 49 85.038 -5.089 8.506 1.00 0.00 H new ATOM 0 HE2 TYR A 49 81.863 -5.744 5.692 1.00 0.00 H new ATOM 0 HH TYR A 49 83.840 -7.446 7.350 1.00 0.00 H new ATOM 724 N ILE A 50 82.933 -1.030 10.786 1.00 0.00 N ATOM 725 CA ILE A 50 83.984 -1.056 11.791 1.00 0.00 C ATOM 726 C ILE A 50 83.407 -0.876 13.189 1.00 0.00 C ATOM 727 O ILE A 50 84.028 -1.273 14.176 1.00 0.00 O ATOM 728 CB ILE A 50 85.002 0.046 11.511 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.890 -0.374 10.337 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.868 0.269 12.751 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.600 0.856 9.772 1.00 0.00 C ATOM 0 H ILE A 50 82.880 -0.166 10.247 1.00 0.00 H new ATOM 0 HA ILE A 50 84.476 -2.027 11.742 1.00 0.00 H new ATOM 0 HB ILE A 50 84.481 0.971 11.264 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.622 -1.111 10.666 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.287 -0.848 9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.595 1.056 12.550 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.235 0.564 13.588 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.392 -0.654 13.000 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.233 0.559 8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.859 1.578 9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.215 1.310 10.549 1.00 0.00 H new ATOM 743 N SER A 51 82.232 -0.252 13.276 1.00 0.00 N ATOM 744 CA SER A 51 81.617 -0.010 14.585 1.00 0.00 C ATOM 745 C SER A 51 80.249 -0.680 14.734 1.00 0.00 C ATOM 746 O SER A 51 79.317 -0.071 15.259 1.00 0.00 O ATOM 747 CB SER A 51 81.471 1.493 14.822 1.00 0.00 C ATOM 748 OG SER A 51 81.604 1.763 16.212 1.00 0.00 O ATOM 0 H SER A 51 81.696 0.089 12.478 1.00 0.00 H new ATOM 0 HA SER A 51 82.279 -0.452 15.329 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.230 2.037 14.260 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.501 1.837 14.464 1.00 0.00 H new ATOM 0 HG SER A 51 81.513 2.726 16.368 1.00 0.00 H new ATOM 754 N ARG A 52 80.137 -1.936 14.306 1.00 0.00 N ATOM 755 CA ARG A 52 78.874 -2.671 14.437 1.00 0.00 C ATOM 756 C ARG A 52 78.895 -3.949 13.610 1.00 0.00 C ATOM 757 O ARG A 52 78.445 -4.999 14.069 1.00 0.00 O ATOM 758 CB ARG A 52 77.687 -1.807 14.003 1.00 0.00 C ATOM 759 CG ARG A 52 76.516 -2.713 13.605 1.00 0.00 C ATOM 760 CD ARG A 52 75.206 -1.932 13.711 1.00 0.00 C ATOM 761 NE ARG A 52 74.645 -2.067 15.051 1.00 0.00 N ATOM 762 CZ ARG A 52 73.603 -1.337 15.435 1.00 0.00 C ATOM 763 NH1 ARG A 52 73.060 -0.488 14.607 1.00 0.00 N ATOM 764 NH2 ARG A 52 73.124 -1.470 16.642 1.00 0.00 N ATOM 0 H ARG A 52 80.894 -2.463 13.870 1.00 0.00 H new ATOM 0 HA ARG A 52 78.760 -2.931 15.489 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.389 -1.145 14.816 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.972 -1.173 13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.654 -3.076 12.586 1.00 0.00 H new ATOM 0 HG3 ARG A 52 76.483 -3.588 14.254 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.382 -0.880 13.487 1.00 0.00 H new ATOM 0 HD3 ARG A 52 74.494 -2.300 12.972 1.00 0.00 H new ATOM 0 HE ARG A 52 75.059 -2.732 15.704 1.00 0.00 H new ATOM 0 HH11 ARG A 52 73.435 -0.384 13.664 1.00 0.00 H new ATOM 0 HH12 ARG A 52 72.260 0.072 14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 52 73.549 -2.134 17.289 1.00 0.00 H new ATOM 0 HH22 ARG A 52 72.324 -0.910 16.938 1.00 0.00 H new ATOM 778 N TYR A 53 79.417 -3.859 12.393 1.00 0.00 N ATOM 779 CA TYR A 53 79.483 -5.025 11.523 1.00 0.00 C ATOM 780 C TYR A 53 80.929 -5.274 11.090 1.00 0.00 C ATOM 781 O TYR A 53 81.323 -4.976 9.962 1.00 0.00 O ATOM 782 CB TYR A 53 78.563 -4.831 10.307 1.00 0.00 C ATOM 783 CG TYR A 53 79.063 -5.668 9.151 1.00 0.00 C ATOM 784 CD1 TYR A 53 79.474 -6.989 9.372 1.00 0.00 C ATOM 785 CD2 TYR A 53 79.112 -5.128 7.861 1.00 0.00 C ATOM 786 CE1 TYR A 53 79.934 -7.768 8.303 1.00 0.00 C ATOM 787 CE2 TYR A 53 79.570 -5.908 6.791 1.00 0.00 C ATOM 788 CZ TYR A 53 79.980 -7.227 7.012 1.00 0.00 C ATOM 789 OH TYR A 53 80.432 -7.996 5.959 1.00 0.00 O ATOM 0 H TYR A 53 79.796 -3.002 11.990 1.00 0.00 H new ATOM 0 HA TYR A 53 79.137 -5.902 12.070 1.00 0.00 H new ATOM 0 HB2 TYR A 53 77.543 -5.118 10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 53 78.537 -3.779 10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 53 79.436 -7.407 10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 53 78.797 -4.109 7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 53 80.253 -8.785 8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 53 79.606 -5.491 5.795 1.00 0.00 H new ATOM 0 HH TYR A 53 79.936 -8.841 5.934 1.00 0.00 H new ATOM 799 N ARG A 54 81.718 -5.814 12.015 1.00 0.00 N ATOM 800 CA ARG A 54 83.124 -6.102 11.746 1.00 0.00 C ATOM 801 C ARG A 54 83.432 -7.567 12.037 1.00 0.00 C ATOM 802 O ARG A 54 82.528 -8.401 12.089 1.00 0.00 O ATOM 803 CB ARG A 54 84.023 -5.219 12.616 1.00 0.00 C ATOM 804 CG ARG A 54 84.014 -5.742 14.054 1.00 0.00 C ATOM 805 CD ARG A 54 84.141 -4.566 15.023 1.00 0.00 C ATOM 806 NE ARG A 54 84.582 -5.036 16.332 1.00 0.00 N ATOM 807 CZ ARG A 54 83.708 -5.414 17.259 1.00 0.00 C ATOM 808 NH1 ARG A 54 82.428 -5.371 17.008 1.00 0.00 N ATOM 809 NH2 ARG A 54 84.131 -5.833 18.420 1.00 0.00 N ATOM 0 H ARG A 54 81.409 -6.061 12.955 1.00 0.00 H new ATOM 0 HA ARG A 54 83.318 -5.894 10.694 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.040 -5.219 12.224 1.00 0.00 H new ATOM 0 HB3 ARG A 54 83.672 -4.187 12.591 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.091 -6.289 14.248 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.837 -6.441 14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.852 -3.838 14.632 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.182 -4.057 15.116 1.00 0.00 H new ATOM 0 HE ARG A 54 85.580 -5.075 16.540 1.00 0.00 H new ATOM 0 HH11 ARG A 54 82.097 -5.047 16.099 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.759 -5.662 17.721 1.00 0.00 H new ATOM 0 HH21 ARG A 54 85.131 -5.870 18.615 1.00 0.00 H new ATOM 0 HH22 ARG A 54 83.461 -6.123 19.132 1.00 0.00 H new ATOM 823 N ARG A 55 84.715 -7.869 12.231 1.00 0.00 N ATOM 824 CA ARG A 55 85.137 -9.237 12.523 1.00 0.00 C ATOM 825 C ARG A 55 84.254 -10.242 11.794 1.00 0.00 C ATOM 826 O ARG A 55 83.185 -10.611 12.282 1.00 0.00 O ATOM 827 CB ARG A 55 85.069 -9.493 14.029 1.00 0.00 C ATOM 828 CG ARG A 55 85.844 -10.767 14.368 1.00 0.00 C ATOM 829 CD ARG A 55 85.428 -11.265 15.753 1.00 0.00 C ATOM 830 NE ARG A 55 85.126 -10.135 16.624 1.00 0.00 N ATOM 831 CZ ARG A 55 84.464 -10.305 17.765 1.00 0.00 C ATOM 832 NH1 ARG A 55 84.071 -11.498 18.122 1.00 0.00 N ATOM 833 NH2 ARG A 55 84.209 -9.278 18.528 1.00 0.00 N ATOM 0 H ARG A 55 85.475 -7.190 12.192 1.00 0.00 H new ATOM 0 HA ARG A 55 86.164 -9.360 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 55 85.488 -8.645 14.571 1.00 0.00 H new ATOM 0 HB3 ARG A 55 84.030 -9.592 14.345 1.00 0.00 H new ATOM 0 HG2 ARG A 55 85.647 -11.535 13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 55 86.916 -10.569 14.348 1.00 0.00 H new ATOM 0 HD2 ARG A 55 84.555 -11.912 15.668 1.00 0.00 H new ATOM 0 HD3 ARG A 55 86.228 -11.865 16.187 1.00 0.00 H new ATOM 0 HE ARG A 55 85.427 -9.199 16.354 1.00 0.00 H new ATOM 0 HH11 ARG A 55 84.272 -12.301 17.526 1.00 0.00 H new ATOM 0 HH12 ARG A 55 83.563 -11.627 18.997 1.00 0.00 H new ATOM 0 HH21 ARG A 55 84.517 -8.347 18.249 1.00 0.00 H new ATOM 0 HH22 ARG A 55 83.701 -9.407 19.403 1.00 0.00 H new ATOM 847 N LYS A 56 84.704 -10.684 10.625 1.00 0.00 N ATOM 848 CA LYS A 56 83.941 -11.647 9.842 1.00 0.00 C ATOM 849 C LYS A 56 84.128 -13.055 10.396 1.00 0.00 C ATOM 850 O LYS A 56 83.321 -13.530 11.196 1.00 0.00 O ATOM 851 CB LYS A 56 84.392 -11.608 8.381 1.00 0.00 C ATOM 852 CG LYS A 56 84.027 -10.255 7.768 1.00 0.00 C ATOM 853 CD LYS A 56 84.967 -9.957 6.599 1.00 0.00 C ATOM 854 CE LYS A 56 86.155 -9.131 7.097 1.00 0.00 C ATOM 855 NZ LYS A 56 87.291 -9.268 6.141 1.00 0.00 N ATOM 0 H LYS A 56 85.586 -10.394 10.202 1.00 0.00 H new ATOM 0 HA LYS A 56 82.886 -11.381 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.468 -11.769 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.916 -12.413 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 56 82.993 -10.266 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.104 -9.470 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.319 -10.888 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 56 84.434 -9.413 5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.869 -8.083 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.457 -9.469 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 88.077 -9.767 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 86.981 -9.809 5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 87.609 -8.324 5.842 1.00 0.00 H new ATOM 869 N GLY A 57 85.198 -13.715 9.966 1.00 0.00 N ATOM 870 CA GLY A 57 85.485 -15.068 10.427 1.00 0.00 C ATOM 871 C GLY A 57 86.856 -15.138 11.086 1.00 0.00 C ATOM 872 O GLY A 57 87.850 -15.470 10.439 1.00 0.00 O ATOM 0 H GLY A 57 85.876 -13.338 9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 57 84.720 -15.385 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 57 85.446 -15.759 9.585 1.00 0.00 H new ATOM 876 N ASP A 58 86.905 -14.825 12.376 1.00 0.00 N ATOM 877 CA ASP A 58 88.163 -14.856 13.114 1.00 0.00 C ATOM 878 C ASP A 58 88.935 -16.132 12.801 1.00 0.00 C ATOM 879 O ASP A 58 88.638 -17.198 13.339 1.00 0.00 O ATOM 880 CB ASP A 58 87.890 -14.779 14.618 1.00 0.00 C ATOM 881 CG ASP A 58 89.187 -14.496 15.367 1.00 0.00 C ATOM 882 OD1 ASP A 58 90.072 -13.896 14.778 1.00 0.00 O ATOM 883 OD2 ASP A 58 89.278 -14.881 16.521 1.00 0.00 O ATOM 0 H ASP A 58 86.094 -14.549 12.930 1.00 0.00 H new ATOM 0 HA ASP A 58 88.762 -13.997 12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 58 87.162 -13.994 14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 58 87.456 -15.716 14.966 1.00 0.00 H new ATOM 888 N ALA A 59 89.927 -16.016 11.924 1.00 0.00 N ATOM 889 CA ALA A 59 90.739 -17.168 11.545 1.00 0.00 C ATOM 890 C ALA A 59 92.189 -16.748 11.327 1.00 0.00 C ATOM 891 O ALA A 59 92.835 -17.187 10.377 1.00 0.00 O ATOM 892 CB ALA A 59 90.188 -17.794 10.263 1.00 0.00 C ATOM 0 H ALA A 59 90.187 -15.143 11.465 1.00 0.00 H new ATOM 0 HA ALA A 59 90.701 -17.900 12.351 1.00 0.00 H new ATOM 0 HB1 ALA A 59 90.799 -18.653 9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 89.160 -18.118 10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 59 90.212 -17.058 9.459 1.00 0.00 H new ATOM 898 N GLY A 60 92.691 -15.895 12.214 1.00 0.00 N ATOM 899 CA GLY A 60 94.065 -15.420 12.107 1.00 0.00 C ATOM 900 C GLY A 60 94.131 -14.114 11.324 1.00 0.00 C ATOM 901 O GLY A 60 95.191 -13.497 11.214 1.00 0.00 O ATOM 0 H GLY A 60 92.172 -15.521 13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 60 94.481 -15.272 13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 60 94.677 -16.175 11.614 1.00 0.00 H new ATOM 905 N GLY A 61 92.991 -13.699 10.781 1.00 0.00 N ATOM 906 CA GLY A 61 92.930 -12.464 10.008 1.00 0.00 C ATOM 907 C GLY A 61 93.152 -12.742 8.526 1.00 0.00 C ATOM 908 O GLY A 61 94.160 -13.335 8.140 1.00 0.00 O ATOM 0 H GLY A 61 92.103 -14.195 10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 61 91.961 -11.987 10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 61 93.685 -11.766 10.369 1.00 0.00 H new ATOM 912 N LEU A 62 92.209 -12.307 7.698 1.00 0.00 N ATOM 913 CA LEU A 62 92.315 -12.518 6.258 1.00 0.00 C ATOM 914 C LEU A 62 92.722 -11.227 5.554 1.00 0.00 C ATOM 915 O LEU A 62 92.399 -10.130 6.011 1.00 0.00 O ATOM 916 CB LEU A 62 90.979 -13.006 5.693 1.00 0.00 C ATOM 917 CG LEU A 62 89.897 -12.919 6.772 1.00 0.00 C ATOM 918 CD1 LEU A 62 88.531 -13.213 6.148 1.00 0.00 C ATOM 919 CD2 LEU A 62 90.185 -13.946 7.870 1.00 0.00 C ATOM 0 H LEU A 62 91.369 -11.810 7.995 1.00 0.00 H new ATOM 0 HA LEU A 62 93.080 -13.275 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 62 90.696 -12.402 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.075 -14.034 5.344 1.00 0.00 H new ATOM 0 HG LEU A 62 89.894 -11.918 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 87.760 -13.151 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 62 88.324 -12.483 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 62 88.535 -14.214 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 62 89.414 -13.883 8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 62 90.188 -14.947 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 62 91.158 -13.739 8.315 1.00 0.00 H new ATOM 931 N LYS A 63 93.434 -11.367 4.442 1.00 0.00 N ATOM 932 CA LYS A 63 93.882 -10.207 3.679 1.00 0.00 C ATOM 933 C LYS A 63 92.692 -9.349 3.261 1.00 0.00 C ATOM 934 O LYS A 63 92.855 -8.190 2.883 1.00 0.00 O ATOM 935 CB LYS A 63 94.648 -10.665 2.436 1.00 0.00 C ATOM 936 CG LYS A 63 93.739 -11.540 1.571 1.00 0.00 C ATOM 937 CD LYS A 63 93.265 -10.739 0.357 1.00 0.00 C ATOM 938 CE LYS A 63 92.267 -11.572 -0.446 1.00 0.00 C ATOM 939 NZ LYS A 63 93.002 -12.591 -1.249 1.00 0.00 N ATOM 0 H LYS A 63 93.713 -12.266 4.050 1.00 0.00 H new ATOM 0 HA LYS A 63 94.540 -9.610 4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.988 -9.800 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 95.537 -11.223 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 63 94.276 -12.431 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 63 92.882 -11.880 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 92.800 -9.808 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 63 94.116 -10.469 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 63 91.562 -12.062 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 91.684 -10.927 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 92.326 -13.136 -1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.682 -12.115 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 93.512 -13.234 -0.610 1.00 0.00 H new ATOM 953 N SER A 64 91.498 -9.926 3.332 1.00 0.00 N ATOM 954 CA SER A 64 90.289 -9.202 2.957 1.00 0.00 C ATOM 955 C SER A 64 90.123 -7.957 3.823 1.00 0.00 C ATOM 956 O SER A 64 89.976 -6.848 3.310 1.00 0.00 O ATOM 957 CB SER A 64 89.066 -10.104 3.121 1.00 0.00 C ATOM 958 OG SER A 64 88.920 -10.911 1.960 1.00 0.00 O ATOM 0 H SER A 64 91.341 -10.885 3.643 1.00 0.00 H new ATOM 0 HA SER A 64 90.378 -8.899 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.179 -10.733 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 64 88.172 -9.500 3.273 1.00 0.00 H new ATOM 0 HG SER A 64 88.138 -11.492 2.062 1.00 0.00 H new ATOM 964 N PHE A 65 90.149 -8.149 5.137 1.00 0.00 N ATOM 965 CA PHE A 65 90.001 -7.032 6.063 1.00 0.00 C ATOM 966 C PHE A 65 91.197 -6.092 5.959 1.00 0.00 C ATOM 967 O PHE A 65 91.047 -4.872 6.021 1.00 0.00 O ATOM 968 CB PHE A 65 89.884 -7.552 7.496 1.00 0.00 C ATOM 969 CG PHE A 65 89.810 -6.383 8.449 1.00 0.00 C ATOM 970 CD1 PHE A 65 90.983 -5.733 8.853 1.00 0.00 C ATOM 971 CD2 PHE A 65 88.569 -5.948 8.926 1.00 0.00 C ATOM 972 CE1 PHE A 65 90.914 -4.649 9.734 1.00 0.00 C ATOM 973 CE2 PHE A 65 88.500 -4.862 9.807 1.00 0.00 C ATOM 974 CZ PHE A 65 89.673 -4.212 10.212 1.00 0.00 C ATOM 0 H PHE A 65 90.270 -9.059 5.582 1.00 0.00 H new ATOM 0 HA PHE A 65 89.096 -6.484 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.995 -8.175 7.597 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.742 -8.179 7.738 1.00 0.00 H new ATOM 0 HD1 PHE A 65 91.941 -6.069 8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 65 87.665 -6.450 8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 65 91.819 -4.149 10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 65 87.542 -4.525 10.175 1.00 0.00 H new ATOM 0 HZ PHE A 65 89.620 -3.375 10.892 1.00 0.00 H new ATOM 984 N THR A 66 92.384 -6.668 5.799 1.00 0.00 N ATOM 985 CA THR A 66 93.598 -5.868 5.687 1.00 0.00 C ATOM 986 C THR A 66 93.444 -4.819 4.594 1.00 0.00 C ATOM 987 O THR A 66 93.850 -3.668 4.764 1.00 0.00 O ATOM 988 CB THR A 66 94.794 -6.768 5.373 1.00 0.00 C ATOM 989 OG1 THR A 66 94.673 -7.987 6.093 1.00 0.00 O ATOM 990 CG2 THR A 66 96.086 -6.059 5.780 1.00 0.00 C ATOM 0 H THR A 66 92.531 -7.676 5.744 1.00 0.00 H new ATOM 0 HA THR A 66 93.768 -5.364 6.638 1.00 0.00 H new ATOM 0 HB THR A 66 94.818 -6.980 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.508 -8.495 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.939 -6.700 5.556 1.00 0.00 H new ATOM 0 HG22 THR A 66 96.179 -5.125 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 66 96.063 -5.846 6.849 1.00 0.00 H new ATOM 998 N THR A 67 92.851 -5.216 3.473 1.00 0.00 N ATOM 999 CA THR A 67 92.647 -4.297 2.369 1.00 0.00 C ATOM 1000 C THR A 67 91.606 -3.254 2.747 1.00 0.00 C ATOM 1001 O THR A 67 91.777 -2.070 2.473 1.00 0.00 O ATOM 1002 CB THR A 67 92.172 -5.064 1.142 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.844 -6.396 1.513 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.273 -5.086 0.080 1.00 0.00 C ATOM 0 H THR A 67 92.507 -6.162 3.309 1.00 0.00 H new ATOM 0 HA THR A 67 93.590 -3.799 2.144 1.00 0.00 H new ATOM 0 HB THR A 67 91.291 -4.571 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 67 92.665 -6.892 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.925 -5.637 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.520 -4.065 -0.209 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.160 -5.573 0.486 1.00 0.00 H new ATOM 1012 N MET A 68 90.529 -3.702 3.385 1.00 0.00 N ATOM 1013 CA MET A 68 89.477 -2.785 3.798 1.00 0.00 C ATOM 1014 C MET A 68 90.088 -1.622 4.570 1.00 0.00 C ATOM 1015 O MET A 68 89.609 -0.491 4.495 1.00 0.00 O ATOM 1016 CB MET A 68 88.454 -3.512 4.679 1.00 0.00 C ATOM 1017 CG MET A 68 87.384 -4.164 3.799 1.00 0.00 C ATOM 1018 SD MET A 68 85.978 -3.038 3.617 1.00 0.00 S ATOM 1019 CE MET A 68 84.673 -4.294 3.566 1.00 0.00 C ATOM 0 H MET A 68 90.364 -4.680 3.624 1.00 0.00 H new ATOM 0 HA MET A 68 88.969 -2.406 2.911 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.953 -4.270 5.283 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.990 -2.808 5.371 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.800 -4.403 2.820 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.055 -5.103 4.244 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.701 -3.806 3.491 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.823 -4.939 2.700 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.709 -4.893 4.476 1.00 0.00 H new ATOM 1029 N GLN A 69 91.163 -1.910 5.297 1.00 0.00 N ATOM 1030 CA GLN A 69 91.848 -0.882 6.070 1.00 0.00 C ATOM 1031 C GLN A 69 92.733 -0.039 5.159 1.00 0.00 C ATOM 1032 O GLN A 69 92.862 1.171 5.348 1.00 0.00 O ATOM 1033 CB GLN A 69 92.704 -1.531 7.160 1.00 0.00 C ATOM 1034 CG GLN A 69 92.811 -0.584 8.358 1.00 0.00 C ATOM 1035 CD GLN A 69 91.508 -0.595 9.150 1.00 0.00 C ATOM 1036 OE1 GLN A 69 90.593 0.298 8.894 1.00 0.00 O flip ATOM 1037 NE2 GLN A 69 91.320 -1.440 10.026 1.00 0.00 N flip ATOM 0 H GLN A 69 91.576 -2.840 5.367 1.00 0.00 H new ATOM 0 HA GLN A 69 91.100 -0.239 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 69 92.261 -2.477 7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.697 -1.756 6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 69 93.638 -0.888 8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 69 93.029 0.427 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 69 92.037 -2.137 10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 69 90.447 -1.442 10.553 1.00 0.00 H new ATOM 1046 N THR A 70 93.343 -0.685 4.167 1.00 0.00 N ATOM 1047 CA THR A 70 94.214 0.023 3.236 1.00 0.00 C ATOM 1048 C THR A 70 93.411 0.997 2.379 1.00 0.00 C ATOM 1049 O THR A 70 93.768 2.171 2.262 1.00 0.00 O ATOM 1050 CB THR A 70 94.940 -0.977 2.334 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.318 -2.113 3.097 1.00 0.00 O ATOM 1052 CG2 THR A 70 96.186 -0.319 1.741 1.00 0.00 C ATOM 0 H THR A 70 93.251 -1.685 3.990 1.00 0.00 H new ATOM 0 HA THR A 70 94.946 0.587 3.814 1.00 0.00 H new ATOM 0 HB THR A 70 94.277 -1.287 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 70 95.782 -2.755 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.703 -1.032 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.893 0.552 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.851 -0.008 2.546 1.00 0.00 H new ATOM 1060 N ALA A 71 92.322 0.514 1.786 1.00 0.00 N ATOM 1061 CA ALA A 71 91.488 1.371 0.952 1.00 0.00 C ATOM 1062 C ALA A 71 90.782 2.415 1.810 1.00 0.00 C ATOM 1063 O ALA A 71 90.574 3.546 1.375 1.00 0.00 O ATOM 1064 CB ALA A 71 90.454 0.541 0.192 1.00 0.00 C ATOM 0 H ALA A 71 92.001 -0.451 1.866 1.00 0.00 H new ATOM 0 HA ALA A 71 92.130 1.876 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.841 1.199 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.964 -0.182 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.818 0.013 0.902 1.00 0.00 H new ATOM 1070 N LEU A 72 90.421 2.036 3.034 1.00 0.00 N ATOM 1071 CA LEU A 72 89.749 2.966 3.934 1.00 0.00 C ATOM 1072 C LEU A 72 90.584 4.232 4.079 1.00 0.00 C ATOM 1073 O LEU A 72 90.093 5.341 3.856 1.00 0.00 O ATOM 1074 CB LEU A 72 89.548 2.320 5.309 1.00 0.00 C ATOM 1075 CG LEU A 72 89.047 3.373 6.303 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.835 4.094 5.717 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.646 2.688 7.613 1.00 0.00 C ATOM 0 H LEU A 72 90.580 1.105 3.420 1.00 0.00 H new ATOM 0 HA LEU A 72 88.774 3.220 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.830 1.503 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.486 1.890 5.661 1.00 0.00 H new ATOM 0 HG LEU A 72 89.841 4.095 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.480 4.843 6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.118 4.582 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.041 3.373 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 72 88.289 3.436 8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.853 1.966 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.510 2.173 8.034 1.00 0.00 H new ATOM 1089 N ASN A 73 91.850 4.059 4.439 1.00 0.00 N ATOM 1090 CA ASN A 73 92.749 5.195 4.597 1.00 0.00 C ATOM 1091 C ASN A 73 92.853 5.961 3.282 1.00 0.00 C ATOM 1092 O ASN A 73 92.839 7.193 3.264 1.00 0.00 O ATOM 1093 CB ASN A 73 94.136 4.712 5.022 1.00 0.00 C ATOM 1094 CG ASN A 73 94.725 5.660 6.060 1.00 0.00 C ATOM 1095 OD1 ASN A 73 94.975 5.262 7.197 1.00 0.00 O ATOM 1096 ND2 ASN A 73 94.966 6.900 5.732 1.00 0.00 N ATOM 0 H ASN A 73 92.275 3.151 4.626 1.00 0.00 H new ATOM 0 HA ASN A 73 92.350 5.855 5.367 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.069 3.705 5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.793 4.658 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 73 95.362 7.541 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 73 94.758 7.228 4.789 1.00 0.00 H new ATOM 1103 N SER A 74 92.947 5.221 2.180 1.00 0.00 N ATOM 1104 CA SER A 74 93.044 5.838 0.864 1.00 0.00 C ATOM 1105 C SER A 74 91.863 6.772 0.629 1.00 0.00 C ATOM 1106 O SER A 74 92.044 7.949 0.317 1.00 0.00 O ATOM 1107 CB SER A 74 93.070 4.762 -0.220 1.00 0.00 C ATOM 1108 OG SER A 74 93.810 5.239 -1.337 1.00 0.00 O ATOM 0 H SER A 74 92.958 4.201 2.173 1.00 0.00 H new ATOM 0 HA SER A 74 93.968 6.415 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 74 93.523 3.849 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 74 92.054 4.510 -0.523 1.00 0.00 H new ATOM 0 HG SER A 74 93.196 5.447 -2.072 1.00 0.00 H new ATOM 1114 N LEU A 75 90.652 6.244 0.788 1.00 0.00 N ATOM 1115 CA LEU A 75 89.455 7.053 0.595 1.00 0.00 C ATOM 1116 C LEU A 75 89.618 8.378 1.314 1.00 0.00 C ATOM 1117 O LEU A 75 89.568 9.450 0.708 1.00 0.00 O ATOM 1118 CB LEU A 75 88.229 6.342 1.170 1.00 0.00 C ATOM 1119 CG LEU A 75 87.918 5.104 0.334 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.102 4.109 1.165 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.114 5.503 -0.911 1.00 0.00 C ATOM 0 H LEU A 75 90.476 5.273 1.046 1.00 0.00 H new ATOM 0 HA LEU A 75 89.317 7.212 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.414 6.057 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 75 87.373 7.016 1.173 1.00 0.00 H new ATOM 0 HG LEU A 75 88.855 4.640 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.882 3.227 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.674 3.815 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.168 4.576 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.895 4.614 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.180 5.974 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.695 6.204 -1.510 1.00 0.00 H new ATOM 1133 N ALA A 76 89.810 8.284 2.623 1.00 0.00 N ATOM 1134 CA ALA A 76 89.980 9.472 3.452 1.00 0.00 C ATOM 1135 C ALA A 76 90.959 10.437 2.800 1.00 0.00 C ATOM 1136 O ALA A 76 90.803 11.654 2.896 1.00 0.00 O ATOM 1137 CB ALA A 76 90.495 9.077 4.837 1.00 0.00 C ATOM 0 H ALA A 76 89.852 7.402 3.133 1.00 0.00 H new ATOM 0 HA ALA A 76 89.012 9.963 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 76 90.618 9.971 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.779 8.408 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 76 91.455 8.570 4.737 1.00 0.00 H new ATOM 1143 N GLY A 77 91.968 9.889 2.131 1.00 0.00 N ATOM 1144 CA GLY A 77 92.963 10.716 1.459 1.00 0.00 C ATOM 1145 C GLY A 77 92.318 11.517 0.334 1.00 0.00 C ATOM 1146 O GLY A 77 92.612 12.698 0.152 1.00 0.00 O ATOM 0 H GLY A 77 92.118 8.884 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 77 93.426 11.393 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.756 10.086 1.057 1.00 0.00 H new ATOM 1150 N TYR A 78 91.432 10.864 -0.412 1.00 0.00 N ATOM 1151 CA TYR A 78 90.741 11.520 -1.516 1.00 0.00 C ATOM 1152 C TYR A 78 89.680 12.480 -0.989 1.00 0.00 C ATOM 1153 O TYR A 78 89.179 13.331 -1.722 1.00 0.00 O ATOM 1154 CB TYR A 78 90.084 10.470 -2.413 1.00 0.00 C ATOM 1155 CG TYR A 78 88.942 11.097 -3.176 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.204 11.905 -4.288 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.621 10.867 -2.773 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.145 12.485 -4.998 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.562 11.445 -3.483 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.824 12.254 -4.594 1.00 0.00 C ATOM 1161 OH TYR A 78 85.780 12.824 -5.295 1.00 0.00 O ATOM 0 H TYR A 78 91.177 9.886 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 78 91.471 12.087 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.817 10.061 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.718 9.639 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.223 12.081 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.419 10.244 -1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 78 88.347 13.109 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.543 11.266 -3.173 1.00 0.00 H new ATOM 0 HH TYR A 78 84.929 12.563 -4.884 1.00 0.00 H new ATOM 1171 N TYR A 79 89.339 12.332 0.288 1.00 0.00 N ATOM 1172 CA TYR A 79 88.331 13.187 0.904 1.00 0.00 C ATOM 1173 C TYR A 79 88.982 14.218 1.822 1.00 0.00 C ATOM 1174 O TYR A 79 88.414 15.279 2.080 1.00 0.00 O ATOM 1175 CB TYR A 79 87.348 12.338 1.709 1.00 0.00 C ATOM 1176 CG TYR A 79 86.508 13.238 2.583 1.00 0.00 C ATOM 1177 CD1 TYR A 79 85.426 13.937 2.035 1.00 0.00 C ATOM 1178 CD2 TYR A 79 86.811 13.374 3.943 1.00 0.00 C ATOM 1179 CE1 TYR A 79 84.647 14.772 2.846 1.00 0.00 C ATOM 1180 CE2 TYR A 79 86.034 14.209 4.754 1.00 0.00 C ATOM 1181 CZ TYR A 79 84.951 14.907 4.206 1.00 0.00 C ATOM 1182 OH TYR A 79 84.185 15.730 5.006 1.00 0.00 O ATOM 0 H TYR A 79 89.743 11.633 0.912 1.00 0.00 H new ATOM 0 HA TYR A 79 87.798 13.711 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 79 86.709 11.766 1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.890 11.619 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 79 85.192 13.832 0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 79 87.645 12.834 4.367 1.00 0.00 H new ATOM 0 HE1 TYR A 79 83.813 15.311 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 79 86.270 14.315 5.803 1.00 0.00 H new ATOM 0 HH TYR A 79 84.531 15.709 5.923 1.00 0.00 H new ATOM 1192 N THR A 80 90.175 13.900 2.313 1.00 0.00 N ATOM 1193 CA THR A 80 90.890 14.808 3.203 1.00 0.00 C ATOM 1194 C THR A 80 91.021 16.183 2.561 1.00 0.00 C ATOM 1195 O THR A 80 90.844 17.207 3.220 1.00 0.00 O ATOM 1196 CB THR A 80 92.282 14.252 3.514 1.00 0.00 C ATOM 1197 OG1 THR A 80 92.151 13.010 4.193 1.00 0.00 O ATOM 1198 CG2 THR A 80 93.044 15.241 4.397 1.00 0.00 C ATOM 0 H THR A 80 90.664 13.028 2.112 1.00 0.00 H new ATOM 0 HA THR A 80 90.325 14.901 4.130 1.00 0.00 H new ATOM 0 HB THR A 80 92.831 14.103 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 80 91.378 12.524 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 80 94.035 14.843 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 80 93.143 16.193 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 80 92.498 15.392 5.328 1.00 0.00 H new ATOM 1206 N SER A 81 91.331 16.196 1.269 1.00 0.00 N ATOM 1207 CA SER A 81 91.482 17.449 0.541 1.00 0.00 C ATOM 1208 C SER A 81 90.303 17.663 -0.401 1.00 0.00 C ATOM 1209 O SER A 81 89.360 16.873 -0.420 1.00 0.00 O ATOM 1210 CB SER A 81 92.782 17.429 -0.261 1.00 0.00 C ATOM 1211 OG SER A 81 92.965 18.692 -0.888 1.00 0.00 O ATOM 0 H SER A 81 91.482 15.358 0.708 1.00 0.00 H new ATOM 0 HA SER A 81 91.511 18.268 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 81 93.624 17.210 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 81 92.748 16.639 -1.011 1.00 0.00 H new ATOM 0 HG SER A 81 93.799 18.684 -1.402 1.00 0.00 H new ATOM 1217 N TYR A 82 90.362 18.736 -1.182 1.00 0.00 N ATOM 1218 CA TYR A 82 89.293 19.040 -2.123 1.00 0.00 C ATOM 1219 C TYR A 82 89.437 18.197 -3.386 1.00 0.00 C ATOM 1220 O TYR A 82 89.257 18.692 -4.498 1.00 0.00 O ATOM 1221 CB TYR A 82 89.322 20.524 -2.489 1.00 0.00 C ATOM 1222 CG TYR A 82 87.921 20.991 -2.800 1.00 0.00 C ATOM 1223 CD1 TYR A 82 86.973 21.093 -1.775 1.00 0.00 C ATOM 1224 CD2 TYR A 82 87.570 21.321 -4.113 1.00 0.00 C ATOM 1225 CE1 TYR A 82 85.674 21.525 -2.063 1.00 0.00 C ATOM 1226 CE2 TYR A 82 86.269 21.753 -4.402 1.00 0.00 C ATOM 1227 CZ TYR A 82 85.322 21.855 -3.377 1.00 0.00 C ATOM 1228 OH TYR A 82 84.040 22.281 -3.661 1.00 0.00 O ATOM 0 H TYR A 82 91.133 19.404 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 82 88.340 18.805 -1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 82 89.736 21.105 -1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 82 89.970 20.685 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 82 87.245 20.838 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 82 88.301 21.243 -4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 82 84.943 21.604 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 82 85.997 22.007 -5.416 1.00 0.00 H new ATOM 0 HH TYR A 82 83.963 22.470 -4.620 1.00 0.00 H new ATOM 1238 N GLY A 83 89.765 16.921 -3.205 1.00 0.00 N ATOM 1239 CA GLY A 83 89.932 16.017 -4.337 1.00 0.00 C ATOM 1240 C GLY A 83 88.601 15.786 -5.048 1.00 0.00 C ATOM 1241 O GLY A 83 87.629 15.344 -4.435 1.00 0.00 O ATOM 0 H GLY A 83 89.919 16.493 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.656 16.434 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.335 15.065 -3.991 1.00 0.00 H new ATOM 1245 N ALA A 84 88.567 16.089 -6.340 1.00 0.00 N ATOM 1246 CA ALA A 84 87.356 15.914 -7.126 1.00 0.00 C ATOM 1247 C ALA A 84 87.596 14.920 -8.251 1.00 0.00 C ATOM 1248 O ALA A 84 88.096 13.818 -8.031 1.00 0.00 O ATOM 1249 CB ALA A 84 86.919 17.266 -7.700 1.00 0.00 C ATOM 0 H ALA A 84 89.362 16.456 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 84 86.567 15.524 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.011 17.135 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 84 86.725 17.962 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.710 17.664 -8.336 1.00 0.00 H new ATOM 1255 N ARG A 85 87.232 15.324 -9.450 1.00 0.00 N ATOM 1256 CA ARG A 85 87.401 14.475 -10.623 1.00 0.00 C ATOM 1257 C ARG A 85 88.842 13.982 -10.729 1.00 0.00 C ATOM 1258 O ARG A 85 89.084 12.806 -11.001 1.00 0.00 O ATOM 1259 CB ARG A 85 87.025 15.248 -11.891 1.00 0.00 C ATOM 1260 CG ARG A 85 85.946 14.480 -12.657 1.00 0.00 C ATOM 1261 CD ARG A 85 85.457 15.327 -13.834 1.00 0.00 C ATOM 1262 NE ARG A 85 85.229 14.486 -15.002 1.00 0.00 N ATOM 1263 CZ ARG A 85 86.234 13.849 -15.599 1.00 0.00 C ATOM 1264 NH1 ARG A 85 87.448 13.975 -15.141 1.00 0.00 N ATOM 1265 NH2 ARG A 85 86.003 13.101 -16.643 1.00 0.00 N ATOM 0 H ARG A 85 86.816 16.235 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 85 86.743 13.612 -10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 85 86.662 16.242 -11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 85 87.904 15.385 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.346 13.532 -13.018 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.113 14.243 -11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.535 15.842 -13.562 1.00 0.00 H new ATOM 0 HD3 ARG A 85 86.194 16.095 -14.069 1.00 0.00 H new ATOM 0 HE ARG A 85 84.283 14.384 -15.369 1.00 0.00 H new ATOM 0 HH11 ARG A 85 87.627 14.561 -14.326 1.00 0.00 H new ATOM 0 HH12 ARG A 85 88.219 13.487 -15.598 1.00 0.00 H new ATOM 0 HH21 ARG A 85 85.053 13.005 -17.001 1.00 0.00 H new ATOM 0 HH22 ARG A 85 86.773 12.613 -17.101 1.00 0.00 H new ATOM 1279 N PRO A 86 89.795 14.853 -10.521 1.00 0.00 N ATOM 1280 CA PRO A 86 91.241 14.497 -10.593 1.00 0.00 C ATOM 1281 C PRO A 86 91.669 13.604 -9.432 1.00 0.00 C ATOM 1282 O PRO A 86 91.825 14.068 -8.303 1.00 0.00 O ATOM 1283 CB PRO A 86 91.971 15.849 -10.537 1.00 0.00 C ATOM 1284 CG PRO A 86 90.918 16.907 -10.638 1.00 0.00 C ATOM 1285 CD PRO A 86 89.605 16.268 -10.193 1.00 0.00 C ATOM 0 HA PRO A 86 91.470 13.929 -11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 86 92.532 15.948 -9.608 1.00 0.00 H new ATOM 0 HB3 PRO A 86 92.688 15.936 -11.353 1.00 0.00 H new ATOM 0 HG2 PRO A 86 91.166 17.760 -10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 86 90.840 17.278 -11.660 1.00 0.00 H new ATOM 0 HD2 PRO A 86 89.426 16.414 -9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 86 88.751 16.693 -10.721 1.00 0.00 H new ATOM 1293 N ILE A 87 91.858 12.319 -9.719 1.00 0.00 N ATOM 1294 CA ILE A 87 92.269 11.370 -8.691 1.00 0.00 C ATOM 1295 C ILE A 87 93.698 10.885 -8.955 1.00 0.00 C ATOM 1296 O ILE A 87 93.910 10.019 -9.802 1.00 0.00 O ATOM 1297 CB ILE A 87 91.320 10.170 -8.684 1.00 0.00 C ATOM 1298 CG1 ILE A 87 89.880 10.661 -8.521 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.675 9.243 -7.519 1.00 0.00 C ATOM 1300 CD1 ILE A 87 88.951 9.463 -8.324 1.00 0.00 C ATOM 0 H ILE A 87 91.734 11.914 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 87 92.235 11.869 -7.723 1.00 0.00 H new ATOM 0 HB ILE A 87 91.417 9.626 -9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.809 11.334 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 87 89.577 11.229 -9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 87 90.998 8.388 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.701 8.893 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.579 9.787 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 87 87.925 9.813 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.014 8.807 -9.192 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.250 8.914 -7.431 1.00 0.00 H new ATOM 1312 N PRO A 88 94.678 11.414 -8.257 1.00 0.00 N ATOM 1313 CA PRO A 88 96.099 11.002 -8.449 1.00 0.00 C ATOM 1314 C PRO A 88 96.259 9.486 -8.487 1.00 0.00 C ATOM 1315 O PRO A 88 95.621 8.763 -7.720 1.00 0.00 O ATOM 1316 CB PRO A 88 96.817 11.601 -7.239 1.00 0.00 C ATOM 1317 CG PRO A 88 95.995 12.782 -6.842 1.00 0.00 C ATOM 1318 CD PRO A 88 94.550 12.454 -7.220 1.00 0.00 C ATOM 0 HA PRO A 88 96.501 11.349 -9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.888 10.879 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.835 11.897 -7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.082 12.973 -5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.335 13.681 -7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.985 12.093 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.028 13.333 -7.599 1.00 0.00 H new ATOM 1326 N GLU A 89 97.114 9.011 -9.387 1.00 0.00 N ATOM 1327 CA GLU A 89 97.356 7.582 -9.526 1.00 0.00 C ATOM 1328 C GLU A 89 97.505 6.925 -8.159 1.00 0.00 C ATOM 1329 O GLU A 89 97.472 5.706 -8.042 1.00 0.00 O ATOM 1330 CB GLU A 89 98.623 7.345 -10.351 1.00 0.00 C ATOM 1331 CG GLU A 89 99.777 8.160 -9.761 1.00 0.00 C ATOM 1332 CD GLU A 89 101.061 7.883 -10.537 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.625 6.817 -10.351 1.00 0.00 O ATOM 1334 OE2 GLU A 89 101.461 8.739 -11.308 1.00 0.00 O ATOM 0 H GLU A 89 97.649 9.595 -10.029 1.00 0.00 H new ATOM 0 HA GLU A 89 96.502 7.137 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 89 98.876 6.285 -10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 89 98.453 7.633 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 89 99.540 9.223 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 89 99.915 7.904 -8.711 1.00 0.00 H new ATOM 1341 N LYS A 90 97.666 7.737 -7.126 1.00 0.00 N ATOM 1342 CA LYS A 90 97.809 7.208 -5.781 1.00 0.00 C ATOM 1343 C LYS A 90 96.477 6.673 -5.289 1.00 0.00 C ATOM 1344 O LYS A 90 96.347 5.493 -4.997 1.00 0.00 O ATOM 1345 CB LYS A 90 98.301 8.294 -4.831 1.00 0.00 C ATOM 1346 CG LYS A 90 99.753 8.643 -5.162 1.00 0.00 C ATOM 1347 CD LYS A 90 100.264 9.700 -4.181 1.00 0.00 C ATOM 1348 CE LYS A 90 101.547 10.327 -4.729 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.368 9.273 -5.391 1.00 0.00 N ATOM 0 H LYS A 90 97.701 8.754 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 90 98.539 6.399 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.674 9.181 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.225 7.951 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.374 7.749 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 90 99.824 9.016 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.506 10.469 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.455 9.247 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 101.304 11.116 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 90 102.113 10.790 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.355 9.594 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.327 8.398 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 101.995 9.091 -6.345 1.00 0.00 H new ATOM 1363 N LEU A 91 95.486 7.554 -5.213 1.00 0.00 N ATOM 1364 CA LEU A 91 94.161 7.170 -4.770 1.00 0.00 C ATOM 1365 C LEU A 91 93.476 6.372 -5.861 1.00 0.00 C ATOM 1366 O LEU A 91 92.707 5.467 -5.585 1.00 0.00 O ATOM 1367 CB LEU A 91 93.339 8.419 -4.446 1.00 0.00 C ATOM 1368 CG LEU A 91 93.974 9.153 -3.261 1.00 0.00 C ATOM 1369 CD1 LEU A 91 93.709 10.656 -3.382 1.00 0.00 C ATOM 1370 CD2 LEU A 91 93.366 8.632 -1.957 1.00 0.00 C ATOM 0 H LEU A 91 95.581 8.541 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 91 94.244 6.558 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.297 9.076 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.313 8.140 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 91 95.050 8.976 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.162 11.175 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 91 94.142 11.028 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.634 10.837 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.816 9.153 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.290 8.809 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 91 93.558 7.563 -1.868 1.00 0.00 H new ATOM 1382 N LYS A 92 93.778 6.714 -7.105 1.00 0.00 N ATOM 1383 CA LYS A 92 93.205 6.023 -8.240 1.00 0.00 C ATOM 1384 C LYS A 92 93.732 4.599 -8.297 1.00 0.00 C ATOM 1385 O LYS A 92 92.959 3.659 -8.326 1.00 0.00 O ATOM 1386 CB LYS A 92 93.556 6.755 -9.537 1.00 0.00 C ATOM 1387 CG LYS A 92 92.354 6.724 -10.484 1.00 0.00 C ATOM 1388 CD LYS A 92 91.989 5.272 -10.801 1.00 0.00 C ATOM 1389 CE LYS A 92 91.249 5.209 -12.139 1.00 0.00 C ATOM 1390 NZ LYS A 92 90.055 6.101 -12.089 1.00 0.00 N ATOM 0 H LYS A 92 94.419 7.469 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 92 92.121 6.002 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 92 93.835 7.786 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 92 94.418 6.284 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 92 91.505 7.232 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.589 7.260 -11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 92 92.891 4.661 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 92 91.363 4.862 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 92 91.912 5.516 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 92 90.942 4.184 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 89.395 5.841 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 89.582 5.996 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 90.354 7.089 -12.214 1.00 0.00 H new ATOM 1404 N LYS A 93 95.053 4.448 -8.310 1.00 0.00 N ATOM 1405 CA LYS A 93 95.653 3.123 -8.361 1.00 0.00 C ATOM 1406 C LYS A 93 95.482 2.399 -7.037 1.00 0.00 C ATOM 1407 O LYS A 93 95.404 1.181 -7.000 1.00 0.00 O ATOM 1408 CB LYS A 93 97.140 3.209 -8.716 1.00 0.00 C ATOM 1409 CG LYS A 93 97.619 1.857 -9.250 1.00 0.00 C ATOM 1410 CD LYS A 93 99.142 1.773 -9.130 1.00 0.00 C ATOM 1411 CE LYS A 93 99.657 0.588 -9.948 1.00 0.00 C ATOM 1412 NZ LYS A 93 99.061 -0.675 -9.424 1.00 0.00 N ATOM 0 H LYS A 93 95.721 5.219 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 93 95.139 2.559 -9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.301 3.985 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.719 3.490 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.154 1.047 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.318 1.738 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 93 99.596 2.698 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.429 1.658 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.396 0.717 -10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.745 0.540 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 99.804 -1.396 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 98.630 -0.496 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 98.332 -1.015 -10.084 1.00 0.00 H new ATOM 1426 N ARG A 94 95.417 3.151 -5.953 1.00 0.00 N ATOM 1427 CA ARG A 94 95.241 2.539 -4.640 1.00 0.00 C ATOM 1428 C ARG A 94 93.814 2.046 -4.486 1.00 0.00 C ATOM 1429 O ARG A 94 93.586 0.919 -4.057 1.00 0.00 O ATOM 1430 CB ARG A 94 95.561 3.520 -3.510 1.00 0.00 C ATOM 1431 CG ARG A 94 95.275 2.847 -2.166 1.00 0.00 C ATOM 1432 CD ARG A 94 96.237 3.390 -1.108 1.00 0.00 C ATOM 1433 NE ARG A 94 96.272 4.848 -1.159 1.00 0.00 N ATOM 1434 CZ ARG A 94 97.290 5.529 -0.641 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.276 4.895 -0.069 1.00 0.00 N ATOM 1436 NH2 ARG A 94 97.300 6.833 -0.702 1.00 0.00 N ATOM 0 H ARG A 94 95.482 4.169 -5.949 1.00 0.00 H new ATOM 0 HA ARG A 94 95.936 1.702 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 94 96.606 3.826 -3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.959 4.423 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 94 94.244 3.034 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 94 95.389 1.767 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 94 95.923 3.061 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 94 97.237 2.989 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 94 95.503 5.353 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 94 98.267 3.876 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 94 99.057 5.418 0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 94 96.527 7.329 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 94 98.080 7.356 -0.305 1.00 0.00 H new ATOM 1450 N LEU A 95 92.849 2.888 -4.846 1.00 0.00 N ATOM 1451 CA LEU A 95 91.455 2.490 -4.739 1.00 0.00 C ATOM 1452 C LEU A 95 91.079 1.597 -5.910 1.00 0.00 C ATOM 1453 O LEU A 95 90.208 0.751 -5.784 1.00 0.00 O ATOM 1454 CB LEU A 95 90.509 3.697 -4.697 1.00 0.00 C ATOM 1455 CG LEU A 95 90.534 4.346 -3.303 1.00 0.00 C ATOM 1456 CD1 LEU A 95 89.971 5.764 -3.397 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.676 3.529 -2.331 1.00 0.00 C ATOM 0 H LEU A 95 93.004 3.830 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 95 91.346 1.946 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.805 4.426 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.495 3.381 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 95 91.561 4.376 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 95 89.987 6.228 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.579 6.352 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 95 88.945 5.725 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.699 3.995 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.648 3.495 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.070 2.515 -2.262 1.00 0.00 H new ATOM 1469 N GLN A 96 91.750 1.778 -7.047 1.00 0.00 N ATOM 1470 CA GLN A 96 91.468 0.952 -8.218 1.00 0.00 C ATOM 1471 C GLN A 96 92.131 -0.399 -8.051 1.00 0.00 C ATOM 1472 O GLN A 96 91.585 -1.416 -8.456 1.00 0.00 O ATOM 1473 CB GLN A 96 91.966 1.609 -9.507 1.00 0.00 C ATOM 1474 CG GLN A 96 91.608 0.719 -10.699 1.00 0.00 C ATOM 1475 CD GLN A 96 92.878 0.263 -11.409 1.00 0.00 C ATOM 1476 OE1 GLN A 96 93.649 -0.625 -10.843 1.00 0.00 O flip ATOM 1477 NE2 GLN A 96 93.175 0.728 -12.510 1.00 0.00 N flip ATOM 0 H GLN A 96 92.481 2.477 -7.181 1.00 0.00 H new ATOM 0 HA GLN A 96 90.387 0.836 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.514 2.594 -9.625 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.045 1.757 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.040 -0.147 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.970 1.266 -11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.571 1.422 -12.950 1.00 0.00 H new ATOM 0 HE22 GLN A 96 94.025 0.419 -12.982 1.00 0.00 H new ATOM 1486 N LEU A 97 93.298 -0.404 -7.428 1.00 0.00 N ATOM 1487 CA LEU A 97 94.008 -1.649 -7.182 1.00 0.00 C ATOM 1488 C LEU A 97 93.363 -2.337 -5.997 1.00 0.00 C ATOM 1489 O LEU A 97 93.260 -3.556 -5.957 1.00 0.00 O ATOM 1490 CB LEU A 97 95.491 -1.403 -6.890 1.00 0.00 C ATOM 1491 CG LEU A 97 96.198 -2.746 -6.704 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.131 -3.544 -8.007 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.662 -2.501 -6.330 1.00 0.00 C ATOM 0 H LEU A 97 93.771 0.432 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 97 93.948 -2.273 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.948 -0.849 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.601 -0.794 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 97 95.708 -3.309 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.635 -4.501 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.089 -3.717 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.621 -2.983 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 97 98.168 -3.457 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 97 98.152 -1.939 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.710 -1.932 -5.401 1.00 0.00 H new ATOM 1505 N GLU A 98 92.908 -1.533 -5.038 1.00 0.00 N ATOM 1506 CA GLU A 98 92.243 -2.072 -3.865 1.00 0.00 C ATOM 1507 C GLU A 98 90.843 -2.524 -4.246 1.00 0.00 C ATOM 1508 O GLU A 98 90.366 -3.538 -3.755 1.00 0.00 O ATOM 1509 CB GLU A 98 92.165 -1.035 -2.745 1.00 0.00 C ATOM 1510 CG GLU A 98 93.563 -0.787 -2.172 1.00 0.00 C ATOM 1511 CD GLU A 98 93.808 -1.696 -0.973 1.00 0.00 C ATOM 1512 OE1 GLU A 98 92.888 -1.876 -0.191 1.00 0.00 O ATOM 1513 OE2 GLU A 98 94.912 -2.202 -0.854 1.00 0.00 O ATOM 0 H GLU A 98 92.989 -0.516 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 98 92.822 -2.919 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.748 -0.103 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.496 -1.385 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 98 94.316 -0.972 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 98 93.662 0.257 -1.873 1.00 0.00 H new ATOM 1520 N PHE A 99 90.185 -1.774 -5.137 1.00 0.00 N ATOM 1521 CA PHE A 99 88.843 -2.158 -5.565 1.00 0.00 C ATOM 1522 C PHE A 99 88.937 -3.192 -6.673 1.00 0.00 C ATOM 1523 O PHE A 99 88.010 -3.964 -6.880 1.00 0.00 O ATOM 1524 CB PHE A 99 88.002 -0.963 -6.044 1.00 0.00 C ATOM 1525 CG PHE A 99 87.588 -0.068 -4.881 1.00 0.00 C ATOM 1526 CD1 PHE A 99 87.052 -0.609 -3.694 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.734 1.321 -4.997 1.00 0.00 C ATOM 1528 CE1 PHE A 99 86.673 0.234 -2.645 1.00 0.00 C ATOM 1529 CE2 PHE A 99 87.350 2.162 -3.943 1.00 0.00 C ATOM 1530 CZ PHE A 99 86.822 1.618 -2.770 1.00 0.00 C ATOM 0 H PHE A 99 90.550 -0.922 -5.563 1.00 0.00 H new ATOM 0 HA PHE A 99 88.338 -2.576 -4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.574 -0.381 -6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 99 87.113 -1.326 -6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 99 86.934 -1.678 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 99 88.144 1.745 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 99 86.265 -0.185 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 99 87.463 3.232 -4.038 1.00 0.00 H new ATOM 0 HZ PHE A 99 86.529 2.268 -1.959 1.00 0.00 H new ATOM 1540 N THR A 100 90.073 -3.238 -7.356 1.00 0.00 N ATOM 1541 CA THR A 100 90.264 -4.240 -8.392 1.00 0.00 C ATOM 1542 C THR A 100 90.661 -5.521 -7.686 1.00 0.00 C ATOM 1543 O THR A 100 90.302 -6.622 -8.100 1.00 0.00 O ATOM 1544 CB THR A 100 91.351 -3.833 -9.384 1.00 0.00 C ATOM 1545 OG1 THR A 100 90.897 -2.736 -10.165 1.00 0.00 O ATOM 1546 CG2 THR A 100 91.671 -5.012 -10.303 1.00 0.00 C ATOM 0 H THR A 100 90.861 -2.606 -7.215 1.00 0.00 H new ATOM 0 HA THR A 100 89.346 -4.360 -8.968 1.00 0.00 H new ATOM 0 HB THR A 100 92.248 -3.543 -8.837 1.00 0.00 H new ATOM 0 HG1 THR A 100 90.752 -1.959 -9.585 1.00 0.00 H new ATOM 0 HG21 THR A 100 92.447 -4.721 -11.011 1.00 0.00 H new ATOM 0 HG22 THR A 100 92.022 -5.854 -9.706 1.00 0.00 H new ATOM 0 HG23 THR A 100 90.773 -5.303 -10.848 1.00 0.00 H new ATOM 1554 N GLN A 101 91.379 -5.342 -6.578 1.00 0.00 N ATOM 1555 CA GLN A 101 91.800 -6.460 -5.753 1.00 0.00 C ATOM 1556 C GLN A 101 90.609 -6.933 -4.938 1.00 0.00 C ATOM 1557 O GLN A 101 90.419 -8.125 -4.743 1.00 0.00 O ATOM 1558 CB GLN A 101 92.936 -6.049 -4.815 1.00 0.00 C ATOM 1559 CG GLN A 101 94.245 -5.967 -5.604 1.00 0.00 C ATOM 1560 CD GLN A 101 94.885 -7.348 -5.692 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.184 -8.354 -5.786 1.00 0.00 O ATOM 1562 NE2 GLN A 101 96.185 -7.457 -5.667 1.00 0.00 N ATOM 0 H GLN A 101 91.679 -4.429 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 101 92.165 -7.262 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 101 92.714 -5.085 -4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 101 93.032 -6.772 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 101 94.053 -5.581 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.929 -5.270 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 101 96.765 -6.622 -5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 101 96.621 -8.377 -5.725 1.00 0.00 H new ATOM 1571 N ALA A 102 89.795 -5.981 -4.482 1.00 0.00 N ATOM 1572 CA ALA A 102 88.602 -6.321 -3.712 1.00 0.00 C ATOM 1573 C ALA A 102 87.547 -6.856 -4.659 1.00 0.00 C ATOM 1574 O ALA A 102 86.818 -7.781 -4.331 1.00 0.00 O ATOM 1575 CB ALA A 102 88.054 -5.105 -2.964 1.00 0.00 C ATOM 0 H ALA A 102 89.938 -4.982 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 102 88.867 -7.075 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 102 87.166 -5.394 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.812 -4.728 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.792 -4.325 -3.679 1.00 0.00 H new ATOM 1581 N GLU A 103 87.487 -6.274 -5.850 1.00 0.00 N ATOM 1582 CA GLU A 103 86.529 -6.720 -6.851 1.00 0.00 C ATOM 1583 C GLU A 103 86.916 -8.109 -7.329 1.00 0.00 C ATOM 1584 O GLU A 103 86.082 -9.013 -7.403 1.00 0.00 O ATOM 1585 CB GLU A 103 86.519 -5.767 -8.047 1.00 0.00 C ATOM 1586 CG GLU A 103 85.688 -6.378 -9.177 1.00 0.00 C ATOM 1587 CD GLU A 103 85.281 -5.297 -10.171 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.138 -4.856 -10.921 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.120 -4.924 -10.169 1.00 0.00 O ATOM 0 H GLU A 103 88.084 -5.501 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 103 85.536 -6.737 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 103 86.102 -4.803 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.538 -5.583 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 103 86.264 -7.152 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.800 -6.859 -8.767 1.00 0.00 H new ATOM 1596 N ARG A 104 88.194 -8.265 -7.652 1.00 0.00 N ATOM 1597 CA ARG A 104 88.702 -9.545 -8.127 1.00 0.00 C ATOM 1598 C ARG A 104 88.727 -10.573 -6.998 1.00 0.00 C ATOM 1599 O ARG A 104 88.408 -11.744 -7.208 1.00 0.00 O ATOM 1600 CB ARG A 104 90.115 -9.370 -8.688 1.00 0.00 C ATOM 1601 CG ARG A 104 90.606 -10.702 -9.260 1.00 0.00 C ATOM 1602 CD ARG A 104 91.845 -10.461 -10.126 1.00 0.00 C ATOM 1603 NE ARG A 104 92.934 -9.931 -9.314 1.00 0.00 N ATOM 1604 CZ ARG A 104 93.723 -10.739 -8.614 1.00 0.00 C ATOM 1605 NH1 ARG A 104 93.525 -12.029 -8.641 1.00 0.00 N ATOM 1606 NH2 ARG A 104 94.697 -10.244 -7.900 1.00 0.00 N ATOM 0 H ARG A 104 88.894 -7.525 -7.594 1.00 0.00 H new ATOM 0 HA ARG A 104 88.038 -9.905 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.117 -8.606 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.790 -9.028 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.844 -11.392 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.819 -11.167 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.154 -11.394 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 104 91.606 -9.762 -10.928 1.00 0.00 H new ATOM 0 HE ARG A 104 93.093 -8.924 -9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 104 92.765 -12.417 -9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 104 94.131 -12.649 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 104 94.853 -9.236 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 104 95.302 -10.865 -7.363 1.00 0.00 H new ATOM 1620 N SER A 105 89.118 -10.135 -5.805 1.00 0.00 N ATOM 1621 CA SER A 105 89.189 -11.041 -4.657 1.00 0.00 C ATOM 1622 C SER A 105 87.797 -11.409 -4.151 1.00 0.00 C ATOM 1623 O SER A 105 87.475 -12.589 -4.009 1.00 0.00 O ATOM 1624 CB SER A 105 89.985 -10.404 -3.517 1.00 0.00 C ATOM 1625 OG SER A 105 91.296 -10.094 -3.973 1.00 0.00 O ATOM 0 H SER A 105 89.388 -9.172 -5.606 1.00 0.00 H new ATOM 0 HA SER A 105 89.692 -11.948 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 105 89.485 -9.500 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.035 -11.086 -2.668 1.00 0.00 H new ATOM 0 HG SER A 105 91.384 -9.124 -4.080 1.00 0.00 H new ATOM 1631 N ILE A 106 86.976 -10.401 -3.868 1.00 0.00 N ATOM 1632 CA ILE A 106 85.625 -10.660 -3.369 1.00 0.00 C ATOM 1633 C ILE A 106 84.872 -11.576 -4.326 1.00 0.00 C ATOM 1634 O ILE A 106 84.238 -12.545 -3.906 1.00 0.00 O ATOM 1635 CB ILE A 106 84.845 -9.351 -3.209 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.528 -8.464 -2.154 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.408 -9.665 -2.782 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.798 -8.564 -0.809 1.00 0.00 C ATOM 0 H ILE A 106 87.214 -9.415 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 106 85.715 -11.144 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 106 84.829 -8.818 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.568 -8.769 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.537 -7.428 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.851 -8.735 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.930 -10.283 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.419 -10.200 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.297 -7.929 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.766 -8.236 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.812 -9.598 -0.463 1.00 0.00 H new ATOM 1650 N GLU A 107 84.944 -11.266 -5.616 1.00 0.00 N ATOM 1651 CA GLU A 107 84.265 -12.072 -6.623 1.00 0.00 C ATOM 1652 C GLU A 107 84.995 -13.395 -6.833 1.00 0.00 C ATOM 1653 O GLU A 107 84.652 -14.168 -7.727 1.00 0.00 O ATOM 1654 CB GLU A 107 84.197 -11.304 -7.945 1.00 0.00 C ATOM 1655 CG GLU A 107 85.446 -11.608 -8.777 1.00 0.00 C ATOM 1656 CD GLU A 107 85.622 -10.548 -9.859 1.00 0.00 C ATOM 1657 OE1 GLU A 107 85.102 -9.459 -9.685 1.00 0.00 O ATOM 1658 OE2 GLU A 107 86.273 -10.843 -10.848 1.00 0.00 O ATOM 0 H GLU A 107 85.461 -10.469 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 107 83.254 -12.283 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.301 -11.588 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.127 -10.233 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 107 86.325 -11.632 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 107 85.358 -12.594 -9.233 1.00 0.00 H new ATOM 1665 N ARG A 108 86.001 -13.650 -6.001 1.00 0.00 N ATOM 1666 CA ARG A 108 86.772 -14.883 -6.103 1.00 0.00 C ATOM 1667 C ARG A 108 87.171 -15.151 -7.551 1.00 0.00 C ATOM 1668 O ARG A 108 86.585 -16.003 -8.219 1.00 0.00 O ATOM 1669 CB ARG A 108 85.950 -16.060 -5.572 1.00 0.00 C ATOM 1670 CG ARG A 108 86.144 -16.176 -4.060 1.00 0.00 C ATOM 1671 CD ARG A 108 85.042 -17.057 -3.469 1.00 0.00 C ATOM 1672 NE ARG A 108 85.199 -17.160 -2.022 1.00 0.00 N ATOM 1673 CZ ARG A 108 84.158 -17.392 -1.232 1.00 0.00 C ATOM 1674 NH1 ARG A 108 82.966 -17.532 -1.744 1.00 0.00 N ATOM 1675 NH2 ARG A 108 84.326 -17.478 0.059 1.00 0.00 N ATOM 0 H ARG A 108 86.299 -13.023 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 108 87.676 -14.772 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 108 84.895 -15.915 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 108 86.260 -16.984 -6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 108 87.122 -16.603 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 108 86.118 -15.187 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 108 84.065 -16.637 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 108 85.080 -18.050 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 108 86.126 -17.052 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 108 82.833 -17.463 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 108 82.167 -17.710 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 108 85.257 -17.367 0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 108 83.526 -17.656 0.667 1.00 0.00 H new ATOM 1689 N GLY A 109 88.171 -14.417 -8.027 1.00 0.00 N ATOM 1690 CA GLY A 109 88.640 -14.583 -9.399 1.00 0.00 C ATOM 1691 C GLY A 109 89.933 -15.390 -9.438 1.00 0.00 C ATOM 1692 O GLY A 109 90.645 -15.391 -10.443 1.00 0.00 O ATOM 0 H GLY A 109 88.669 -13.707 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 109 87.875 -15.086 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 109 88.803 -13.605 -9.853 1.00 0.00 H new ATOM 1696 N VAL A 110 90.231 -16.076 -8.340 1.00 0.00 N ATOM 1697 CA VAL A 110 91.443 -16.884 -8.261 1.00 0.00 C ATOM 1698 C VAL A 110 91.117 -18.292 -7.771 1.00 0.00 C ATOM 1699 O VAL A 110 91.299 -19.223 -8.537 1.00 0.00 O ATOM 1700 CB VAL A 110 92.447 -16.229 -7.312 1.00 0.00 C ATOM 1701 CG1 VAL A 110 91.701 -15.602 -6.133 1.00 0.00 C ATOM 1702 CG2 VAL A 110 93.423 -17.286 -6.792 1.00 0.00 C ATOM 1703 OXT VAL A 110 90.690 -18.417 -6.634 1.00 0.00 O ATOM 0 H VAL A 110 89.655 -16.089 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 110 91.879 -16.951 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 110 92.999 -15.456 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 110 92.417 -15.135 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 110 91.005 -14.848 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.148 -16.375 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.139 -16.819 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.871 -18.060 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.956 -17.734 -7.631 1.00 0.00 H new TER 1713 VAL A 110