USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.1!) USER MOD Single : A 52 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.73) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.119 F(o=-1.6,f=-0.12) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.4!) USER MOD Single : A 77 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.7!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.48 F(o=-1.1,f=-0.48) USER MOD Single : A 81 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.0066) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 110:sc= -2.16! USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0206) USER MOD Single : A 97 SER OG : rot -41:sc= 1.12 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 -1.403 1.144 0.924 1.00 41.41 N ATOM 2 CA GLY A 46 -1.406 2.523 0.470 1.00 62.34 C ATOM 3 C GLY A 46 -1.388 2.635 -1.042 1.00 33.00 C ATOM 4 O GLY A 46 -1.321 1.627 -1.745 1.00 44.03 O ATOM 0 HA2 GLY A 46 -2.290 3.028 0.858 1.00 62.34 H new ATOM 0 HA3 GLY A 46 -0.538 3.039 0.880 1.00 62.34 H new ATOM 8 N SER A 47 -1.451 3.864 -1.543 1.00 52.43 N ATOM 9 CA SER A 47 -1.448 4.105 -2.982 1.00 21.54 C ATOM 10 C SER A 47 -0.364 5.109 -3.362 1.00 73.22 C ATOM 11 O SER A 47 0.346 5.627 -2.502 1.00 41.42 O ATOM 12 CB SER A 47 -2.816 4.616 -3.438 1.00 22.32 C ATOM 13 OG SER A 47 -3.435 5.389 -2.425 1.00 32.04 O ATOM 0 H SER A 47 -1.505 4.709 -0.974 1.00 52.43 H new ATOM 0 HA SER A 47 -1.236 3.161 -3.483 1.00 21.54 H new ATOM 0 HB2 SER A 47 -2.701 5.218 -4.340 1.00 22.32 H new ATOM 0 HB3 SER A 47 -3.455 3.772 -3.697 1.00 22.32 H new ATOM 0 HG SER A 47 -4.307 5.705 -2.742 1.00 32.04 H new ATOM 19 N ASN A 48 -0.244 5.378 -4.658 1.00 74.43 N ATOM 20 CA ASN A 48 0.753 6.319 -5.155 1.00 13.14 C ATOM 21 C ASN A 48 0.153 7.239 -6.213 1.00 55.42 C ATOM 22 O ASN A 48 0.427 7.115 -7.407 1.00 12.20 O ATOM 23 CB ASN A 48 1.950 5.566 -5.737 1.00 63.12 C ATOM 24 CG ASN A 48 3.154 6.465 -5.943 1.00 22.21 C ATOM 25 OD1 ASN A 48 3.028 7.588 -6.430 1.00 11.41 O ATOM 26 ND2 ASN A 48 4.330 5.972 -5.572 1.00 3.30 N ATOM 0 H ASN A 48 -0.825 4.957 -5.383 1.00 74.43 H new ATOM 0 HA ASN A 48 1.089 6.930 -4.317 1.00 13.14 H new ATOM 0 HB2 ASN A 48 2.221 4.748 -5.069 1.00 63.12 H new ATOM 0 HB3 ASN A 48 1.666 5.119 -6.690 1.00 63.12 H new ATOM 0 HD21 ASN A 48 5.176 6.530 -5.687 1.00 3.30 H new ATOM 0 HD22 ASN A 48 4.387 5.035 -5.172 1.00 3.30 H new ATOM 33 N PRO A 49 -0.686 8.186 -5.767 1.00 53.32 N ATOM 34 CA PRO A 49 -1.342 9.147 -6.659 1.00 61.04 C ATOM 35 C PRO A 49 -0.361 10.155 -7.248 1.00 4.04 C ATOM 36 O PRO A 49 0.854 10.008 -7.108 1.00 73.41 O ATOM 37 CB PRO A 49 -2.348 9.851 -5.745 1.00 62.21 C ATOM 38 CG PRO A 49 -1.776 9.714 -4.376 1.00 61.13 C ATOM 39 CD PRO A 49 -1.059 8.392 -4.358 1.00 3.45 C ATOM 0 HA PRO A 49 -1.798 8.658 -7.520 1.00 61.04 H new ATOM 0 HB2 PRO A 49 -2.468 10.899 -6.021 1.00 62.21 H new ATOM 0 HB3 PRO A 49 -3.333 9.389 -5.811 1.00 62.21 H new ATOM 0 HG2 PRO A 49 -1.091 10.533 -4.155 1.00 61.13 H new ATOM 0 HG3 PRO A 49 -2.561 9.743 -3.620 1.00 61.13 H new ATOM 0 HD2 PRO A 49 -0.183 8.419 -3.710 1.00 3.45 H new ATOM 0 HD3 PRO A 49 -1.702 7.591 -3.991 1.00 3.45 H new ATOM 47 N ASP A 50 -0.894 11.179 -7.905 1.00 32.22 N ATOM 48 CA ASP A 50 -0.065 12.213 -8.513 1.00 61.31 C ATOM 49 C ASP A 50 -0.500 13.600 -8.051 1.00 22.10 C ATOM 50 O ASP A 50 -1.616 13.800 -7.572 1.00 32.21 O ATOM 51 CB ASP A 50 -0.138 12.123 -10.038 1.00 40.32 C ATOM 52 CG ASP A 50 -1.492 11.648 -10.526 1.00 55.20 C ATOM 53 OD1 ASP A 50 -1.722 10.420 -10.539 1.00 45.43 O ATOM 54 OD2 ASP A 50 -2.324 12.504 -10.894 1.00 2.12 O ATOM 0 H ASP A 50 -1.897 11.315 -8.030 1.00 32.22 H new ATOM 0 HA ASP A 50 0.965 12.051 -8.196 1.00 61.31 H new ATOM 0 HB2 ASP A 50 0.077 13.102 -10.467 1.00 40.32 H new ATOM 0 HB3 ASP A 50 0.634 11.441 -10.396 1.00 40.32 H new ATOM 59 N PRO A 51 0.402 14.582 -8.196 1.00 40.11 N ATOM 60 CA PRO A 51 0.134 15.968 -7.799 1.00 63.41 C ATOM 61 C PRO A 51 -0.891 16.642 -8.704 1.00 11.11 C ATOM 62 O PRO A 51 -1.339 17.755 -8.427 1.00 62.43 O ATOM 63 CB PRO A 51 1.499 16.647 -7.938 1.00 61.55 C ATOM 64 CG PRO A 51 2.227 15.830 -8.950 1.00 31.11 C ATOM 65 CD PRO A 51 1.752 14.416 -8.760 1.00 23.24 C ATOM 0 HA PRO A 51 -0.288 16.030 -6.796 1.00 63.41 H new ATOM 0 HB2 PRO A 51 1.395 17.682 -8.265 1.00 61.55 H new ATOM 0 HB3 PRO A 51 2.031 16.665 -6.987 1.00 61.55 H new ATOM 0 HG2 PRO A 51 2.015 16.180 -9.960 1.00 31.11 H new ATOM 0 HG3 PRO A 51 3.305 15.902 -8.807 1.00 31.11 H new ATOM 0 HD2 PRO A 51 1.729 13.870 -9.703 1.00 23.24 H new ATOM 0 HD3 PRO A 51 2.404 13.860 -8.086 1.00 23.24 H new ATOM 73 N GLN A 52 -1.258 15.961 -9.785 1.00 15.33 N ATOM 74 CA GLN A 52 -2.231 16.496 -10.730 1.00 14.32 C ATOM 75 C GLN A 52 -3.650 16.107 -10.329 1.00 75.44 C ATOM 76 O GLN A 52 -4.593 16.871 -10.530 1.00 15.25 O ATOM 77 CB GLN A 52 -1.931 15.993 -12.143 1.00 12.32 C ATOM 78 CG GLN A 52 -3.107 16.123 -13.097 1.00 72.24 C ATOM 79 CD GLN A 52 -3.558 17.559 -13.277 1.00 4.11 C ATOM 80 OE1 GLN A 52 -2.764 18.492 -13.149 1.00 23.54 O ATOM 81 NE2 GLN A 52 -4.838 17.745 -13.576 1.00 0.32 N ATOM 0 H GLN A 52 -0.897 15.039 -10.028 1.00 15.33 H new ATOM 0 HA GLN A 52 -2.154 17.583 -10.715 1.00 14.32 H new ATOM 0 HB2 GLN A 52 -1.084 16.549 -12.545 1.00 12.32 H new ATOM 0 HB3 GLN A 52 -1.630 14.947 -12.091 1.00 12.32 H new ATOM 0 HG2 GLN A 52 -2.830 15.709 -14.067 1.00 72.24 H new ATOM 0 HG3 GLN A 52 -3.941 15.529 -12.723 1.00 72.24 H new ATOM 0 HE21 GLN A 52 -5.461 16.943 -13.673 1.00 0.32 H new ATOM 0 HE22 GLN A 52 -5.199 18.690 -13.709 1.00 0.32 H new ATOM 90 N GLU A 53 -3.794 14.912 -9.763 1.00 44.23 N ATOM 91 CA GLU A 53 -5.099 14.421 -9.336 1.00 44.53 C ATOM 92 C GLU A 53 -5.383 14.820 -7.891 1.00 34.20 C ATOM 93 O GLU A 53 -6.508 15.182 -7.545 1.00 31.30 O ATOM 94 CB GLU A 53 -5.168 12.900 -9.481 1.00 32.24 C ATOM 95 CG GLU A 53 -6.580 12.370 -9.663 1.00 35.44 C ATOM 96 CD GLU A 53 -7.302 13.019 -10.828 1.00 24.30 C ATOM 97 OE1 GLU A 53 -7.117 12.554 -11.972 1.00 71.43 O ATOM 98 OE2 GLU A 53 -8.050 13.991 -10.596 1.00 43.22 O ATOM 0 H GLU A 53 -3.023 14.267 -9.590 1.00 44.23 H new ATOM 0 HA GLU A 53 -5.857 14.874 -9.975 1.00 44.53 H new ATOM 0 HB2 GLU A 53 -4.562 12.597 -10.335 1.00 32.24 H new ATOM 0 HB3 GLU A 53 -4.727 12.439 -8.597 1.00 32.24 H new ATOM 0 HG2 GLU A 53 -6.542 11.292 -9.819 1.00 35.44 H new ATOM 0 HG3 GLU A 53 -7.148 12.540 -8.748 1.00 35.44 H new ATOM 105 N VAL A 54 -4.356 14.750 -7.051 1.00 22.14 N ATOM 106 CA VAL A 54 -4.494 15.103 -5.643 1.00 11.32 C ATOM 107 C VAL A 54 -4.746 16.597 -5.473 1.00 41.34 C ATOM 108 O VAL A 54 -5.643 17.005 -4.737 1.00 13.23 O ATOM 109 CB VAL A 54 -3.240 14.711 -4.840 1.00 24.02 C ATOM 110 CG1 VAL A 54 -3.431 15.023 -3.363 1.00 73.25 C ATOM 111 CG2 VAL A 54 -2.915 13.239 -5.045 1.00 33.14 C ATOM 0 H VAL A 54 -3.419 14.452 -7.321 1.00 22.14 H new ATOM 0 HA VAL A 54 -5.350 14.547 -5.260 1.00 11.32 H new ATOM 0 HB VAL A 54 -2.398 15.300 -5.204 1.00 24.02 H new ATOM 0 HG11 VAL A 54 -2.534 14.739 -2.812 1.00 73.25 H new ATOM 0 HG12 VAL A 54 -3.611 16.091 -3.237 1.00 73.25 H new ATOM 0 HG13 VAL A 54 -4.284 14.463 -2.980 1.00 73.25 H new ATOM 0 HG21 VAL A 54 -2.026 12.979 -4.470 1.00 33.14 H new ATOM 0 HG22 VAL A 54 -3.755 12.631 -4.709 1.00 33.14 H new ATOM 0 HG23 VAL A 54 -2.731 13.051 -6.103 1.00 33.14 H new ATOM 121 N GLN A 55 -3.948 17.408 -6.161 1.00 20.11 N ATOM 122 CA GLN A 55 -4.085 18.858 -6.086 1.00 62.30 C ATOM 123 C GLN A 55 -5.528 19.282 -6.338 1.00 1.01 C ATOM 124 O GLN A 55 -6.095 20.069 -5.580 1.00 2.30 O ATOM 125 CB GLN A 55 -3.158 19.532 -7.100 1.00 32.44 C ATOM 126 CG GLN A 55 -3.434 21.015 -7.284 1.00 13.12 C ATOM 127 CD GLN A 55 -2.165 21.839 -7.370 1.00 65.32 C ATOM 128 OE1 GLN A 55 -1.285 21.676 -6.388 1.00 75.41 O flip ATOM 129 NE2 GLN A 55 -1.975 22.613 -8.309 1.00 54.53 N flip ATOM 0 H GLN A 55 -3.201 17.086 -6.776 1.00 20.11 H new ATOM 0 HA GLN A 55 -3.803 19.173 -5.081 1.00 62.30 H new ATOM 0 HB2 GLN A 55 -2.125 19.400 -6.779 1.00 32.44 H new ATOM 0 HB3 GLN A 55 -3.259 19.030 -8.062 1.00 32.44 H new ATOM 0 HG2 GLN A 55 -4.020 21.162 -8.191 1.00 13.12 H new ATOM 0 HG3 GLN A 55 -4.040 21.374 -6.452 1.00 13.12 H new ATOM 0 HE21 GLN A 55 -2.678 22.707 -9.042 1.00 54.53 H new ATOM 0 HE22 GLN A 55 -1.115 23.160 -8.353 1.00 54.53 H new ATOM 138 N ARG A 56 -6.116 18.756 -7.407 1.00 72.30 N ATOM 139 CA ARG A 56 -7.493 19.081 -7.760 1.00 2.44 C ATOM 140 C ARG A 56 -8.471 18.450 -6.773 1.00 4.44 C ATOM 141 O ARG A 56 -9.531 19.008 -6.492 1.00 72.01 O ATOM 142 CB ARG A 56 -7.805 18.604 -9.179 1.00 21.10 C ATOM 143 CG ARG A 56 -9.288 18.394 -9.439 1.00 2.51 C ATOM 144 CD ARG A 56 -9.669 18.806 -10.852 1.00 52.22 C ATOM 145 NE ARG A 56 -9.366 20.211 -11.114 1.00 33.32 N ATOM 146 CZ ARG A 56 -9.241 20.721 -12.334 1.00 23.51 C ATOM 147 NH1 ARG A 56 -9.392 19.945 -13.399 1.00 5.12 N ATOM 148 NH2 ARG A 56 -8.964 22.009 -12.491 1.00 31.22 N ATOM 0 H ARG A 56 -5.660 18.103 -8.044 1.00 72.30 H new ATOM 0 HA ARG A 56 -7.607 20.164 -7.715 1.00 2.44 H new ATOM 0 HB2 ARG A 56 -7.420 19.334 -9.891 1.00 21.10 H new ATOM 0 HB3 ARG A 56 -7.276 17.669 -9.363 1.00 21.10 H new ATOM 0 HG2 ARG A 56 -9.541 17.345 -9.284 1.00 2.51 H new ATOM 0 HG3 ARG A 56 -9.870 18.972 -8.721 1.00 2.51 H new ATOM 0 HD2 ARG A 56 -9.136 18.181 -11.568 1.00 52.22 H new ATOM 0 HD3 ARG A 56 -10.734 18.630 -11.006 1.00 52.22 H new ATOM 0 HE ARG A 56 -9.244 20.835 -10.316 1.00 33.32 H new ATOM 0 HH11 ARG A 56 -9.605 18.954 -13.282 1.00 5.12 H new ATOM 0 HH12 ARG A 56 -9.296 20.339 -14.335 1.00 5.12 H new ATOM 0 HH21 ARG A 56 -8.847 22.609 -11.674 1.00 31.22 H new ATOM 0 HH22 ARG A 56 -8.868 22.399 -13.428 1.00 31.22 H new ATOM 162 N ALA A 57 -8.106 17.284 -6.250 1.00 1.21 N ATOM 163 CA ALA A 57 -8.950 16.578 -5.294 1.00 4.33 C ATOM 164 C ALA A 57 -9.142 17.398 -4.022 1.00 31.50 C ATOM 165 O ALA A 57 -10.229 17.417 -3.442 1.00 25.41 O ATOM 166 CB ALA A 57 -8.350 15.220 -4.963 1.00 21.31 C ATOM 0 H ALA A 57 -7.231 16.808 -6.472 1.00 1.21 H new ATOM 0 HA ALA A 57 -9.928 16.429 -5.751 1.00 4.33 H new ATOM 0 HB1 ALA A 57 -8.991 14.704 -4.248 1.00 21.31 H new ATOM 0 HB2 ALA A 57 -8.270 14.626 -5.873 1.00 21.31 H new ATOM 0 HB3 ALA A 57 -7.359 15.356 -4.530 1.00 21.31 H new ATOM 172 N LEU A 58 -8.082 18.073 -3.593 1.00 24.32 N ATOM 173 CA LEU A 58 -8.134 18.894 -2.388 1.00 43.02 C ATOM 174 C LEU A 58 -9.241 19.939 -2.489 1.00 23.53 C ATOM 175 O LEU A 58 -9.761 20.406 -1.476 1.00 23.41 O ATOM 176 CB LEU A 58 -6.787 19.582 -2.158 1.00 30.03 C ATOM 177 CG LEU A 58 -6.115 19.308 -0.812 1.00 12.23 C ATOM 178 CD1 LEU A 58 -4.887 18.430 -0.997 1.00 14.03 C ATOM 179 CD2 LEU A 58 -5.740 20.615 -0.127 1.00 74.32 C ATOM 0 H LEU A 58 -7.176 18.068 -4.061 1.00 24.32 H new ATOM 0 HA LEU A 58 -8.351 18.242 -1.542 1.00 43.02 H new ATOM 0 HB2 LEU A 58 -6.105 19.276 -2.951 1.00 30.03 H new ATOM 0 HB3 LEU A 58 -6.929 20.658 -2.258 1.00 30.03 H new ATOM 0 HG LEU A 58 -6.823 18.777 -0.176 1.00 12.23 H new ATOM 0 HD11 LEU A 58 -4.422 18.246 -0.028 1.00 14.03 H new ATOM 0 HD12 LEU A 58 -5.182 17.481 -1.444 1.00 14.03 H new ATOM 0 HD13 LEU A 58 -4.175 18.933 -1.651 1.00 14.03 H new ATOM 0 HD21 LEU A 58 -5.263 20.401 0.829 1.00 74.32 H new ATOM 0 HD22 LEU A 58 -5.050 21.173 -0.760 1.00 74.32 H new ATOM 0 HD23 LEU A 58 -6.639 21.209 0.041 1.00 74.32 H new ATOM 191 N ALA A 59 -9.597 20.299 -3.717 1.00 74.12 N ATOM 192 CA ALA A 59 -10.646 21.285 -3.950 1.00 65.41 C ATOM 193 C ALA A 59 -12.029 20.668 -3.773 1.00 23.42 C ATOM 194 O ALA A 59 -13.001 21.370 -3.494 1.00 23.33 O ATOM 195 CB ALA A 59 -10.507 21.883 -5.342 1.00 51.30 C ATOM 0 H ALA A 59 -9.175 19.923 -4.566 1.00 74.12 H new ATOM 0 HA ALA A 59 -10.535 22.079 -3.212 1.00 65.41 H new ATOM 0 HB1 ALA A 59 -11.296 22.617 -5.503 1.00 51.30 H new ATOM 0 HB2 ALA A 59 -9.535 22.368 -5.434 1.00 51.30 H new ATOM 0 HB3 ALA A 59 -10.590 21.092 -6.088 1.00 51.30 H new ATOM 201 N ARG A 60 -12.110 19.351 -3.937 1.00 42.32 N ATOM 202 CA ARG A 60 -13.375 18.640 -3.797 1.00 1.40 C ATOM 203 C ARG A 60 -13.776 18.529 -2.329 1.00 71.10 C ATOM 204 O ARG A 60 -14.908 18.162 -2.011 1.00 23.31 O ATOM 205 CB ARG A 60 -13.272 17.245 -4.416 1.00 3.31 C ATOM 206 CG ARG A 60 -12.669 17.241 -5.811 1.00 44.01 C ATOM 207 CD ARG A 60 -12.885 15.907 -6.508 1.00 33.34 C ATOM 208 NE ARG A 60 -11.830 14.947 -6.193 1.00 13.23 N ATOM 209 CZ ARG A 60 -11.555 13.885 -6.942 1.00 12.23 C ATOM 210 NH1 ARG A 60 -12.253 13.648 -8.044 1.00 13.33 N ATOM 211 NH2 ARG A 60 -10.580 13.058 -6.589 1.00 65.11 N ATOM 0 H ARG A 60 -11.315 18.755 -4.167 1.00 42.32 H new ATOM 0 HA ARG A 60 -14.142 19.207 -4.324 1.00 1.40 H new ATOM 0 HB2 ARG A 60 -12.668 16.612 -3.766 1.00 3.31 H new ATOM 0 HB3 ARG A 60 -14.267 16.801 -4.458 1.00 3.31 H new ATOM 0 HG2 ARG A 60 -13.116 18.039 -6.404 1.00 44.01 H new ATOM 0 HG3 ARG A 60 -11.601 17.451 -5.748 1.00 44.01 H new ATOM 0 HD2 ARG A 60 -13.850 15.495 -6.212 1.00 33.34 H new ATOM 0 HD3 ARG A 60 -12.923 16.063 -7.586 1.00 33.34 H new ATOM 0 HE ARG A 60 -11.274 15.101 -5.352 1.00 13.23 H new ATOM 0 HH11 ARG A 60 -13.003 14.282 -8.319 1.00 13.33 H new ATOM 0 HH12 ARG A 60 -12.040 12.832 -8.617 1.00 13.33 H new ATOM 0 HH21 ARG A 60 -10.041 13.237 -5.742 1.00 65.11 H new ATOM 0 HH22 ARG A 60 -10.369 12.243 -7.165 1.00 65.11 H new ATOM 225 N ILE A 61 -12.842 18.847 -1.440 1.00 4.42 N ATOM 226 CA ILE A 61 -13.098 18.783 -0.006 1.00 53.44 C ATOM 227 C ILE A 61 -14.332 19.598 0.368 1.00 5.32 C ATOM 228 O ILE A 61 -14.995 19.317 1.367 1.00 53.00 O ATOM 229 CB ILE A 61 -11.893 19.295 0.805 1.00 71.23 C ATOM 230 CG1 ILE A 61 -10.650 18.458 0.496 1.00 72.44 C ATOM 231 CG2 ILE A 61 -12.204 19.261 2.294 1.00 51.44 C ATOM 232 CD1 ILE A 61 -9.377 19.028 1.079 1.00 2.23 C ATOM 0 H ILE A 61 -11.900 19.152 -1.687 1.00 4.42 H new ATOM 0 HA ILE A 61 -13.270 17.735 0.238 1.00 53.44 H new ATOM 0 HB ILE A 61 -11.693 20.328 0.519 1.00 71.23 H new ATOM 0 HG12 ILE A 61 -10.796 17.449 0.882 1.00 72.44 H new ATOM 0 HG13 ILE A 61 -10.539 18.373 -0.585 1.00 72.44 H new ATOM 0 HG21 ILE A 61 -11.343 19.626 2.854 1.00 51.44 H new ATOM 0 HG22 ILE A 61 -13.066 19.895 2.500 1.00 51.44 H new ATOM 0 HG23 ILE A 61 -12.426 18.238 2.596 1.00 51.44 H new ATOM 0 HD11 ILE A 61 -8.537 18.383 0.820 1.00 2.23 H new ATOM 0 HD12 ILE A 61 -9.206 20.026 0.674 1.00 2.23 H new ATOM 0 HD13 ILE A 61 -9.468 19.087 2.164 1.00 2.23 H new ATOM 244 N LEU A 62 -14.634 20.608 -0.440 1.00 53.10 N ATOM 245 CA LEU A 62 -15.790 21.464 -0.195 1.00 70.02 C ATOM 246 C LEU A 62 -17.087 20.741 -0.545 1.00 42.10 C ATOM 247 O LEU A 62 -18.127 20.978 0.070 1.00 73.44 O ATOM 248 CB LEU A 62 -15.676 22.754 -1.010 1.00 20.32 C ATOM 249 CG LEU A 62 -14.870 23.884 -0.368 1.00 61.34 C ATOM 250 CD1 LEU A 62 -14.771 25.072 -1.313 1.00 31.42 C ATOM 251 CD2 LEU A 62 -15.497 24.302 0.954 1.00 65.22 C ATOM 0 H LEU A 62 -14.095 20.854 -1.270 1.00 53.10 H new ATOM 0 HA LEU A 62 -15.809 21.712 0.866 1.00 70.02 H new ATOM 0 HB2 LEU A 62 -15.224 22.514 -1.972 1.00 20.32 H new ATOM 0 HB3 LEU A 62 -16.682 23.122 -1.213 1.00 20.32 H new ATOM 0 HG LEU A 62 -13.862 23.519 -0.169 1.00 61.34 H new ATOM 0 HD11 LEU A 62 -14.194 25.866 -0.840 1.00 31.42 H new ATOM 0 HD12 LEU A 62 -14.276 24.764 -2.234 1.00 31.42 H new ATOM 0 HD13 LEU A 62 -15.772 25.438 -1.543 1.00 31.42 H new ATOM 0 HD21 LEU A 62 -14.910 25.107 1.397 1.00 65.22 H new ATOM 0 HD22 LEU A 62 -16.516 24.649 0.780 1.00 65.22 H new ATOM 0 HD23 LEU A 62 -15.515 23.450 1.634 1.00 65.22 H new ATOM 263 N CYS A 63 -17.017 19.857 -1.535 1.00 0.22 N ATOM 264 CA CYS A 63 -18.184 19.098 -1.966 1.00 71.51 C ATOM 265 C CYS A 63 -18.295 17.786 -1.194 1.00 13.11 C ATOM 266 O CYS A 63 -19.295 17.531 -0.524 1.00 13.55 O ATOM 267 CB CYS A 63 -18.107 18.813 -3.467 1.00 53.24 C ATOM 268 SG CYS A 63 -19.722 18.826 -4.310 1.00 52.32 S ATOM 0 H CYS A 63 -16.164 19.649 -2.054 1.00 0.22 H new ATOM 0 HA CYS A 63 -19.072 19.697 -1.761 1.00 71.51 H new ATOM 0 HB2 CYS A 63 -17.459 19.555 -3.934 1.00 53.24 H new ATOM 0 HB3 CYS A 63 -17.638 17.841 -3.618 1.00 53.24 H new ATOM 273 N ALA A 64 -17.261 16.958 -1.293 1.00 63.24 N ATOM 274 CA ALA A 64 -17.241 15.674 -0.603 1.00 43.20 C ATOM 275 C ALA A 64 -17.579 15.840 0.875 1.00 41.24 C ATOM 276 O ALA A 64 -18.557 15.275 1.366 1.00 60.25 O ATOM 277 CB ALA A 64 -15.882 15.010 -0.764 1.00 25.51 C ATOM 0 H ALA A 64 -16.426 17.153 -1.845 1.00 63.24 H new ATOM 0 HA ALA A 64 -18.001 15.035 -1.053 1.00 43.20 H new ATOM 0 HB1 ALA A 64 -15.881 14.052 -0.244 1.00 25.51 H new ATOM 0 HB2 ALA A 64 -15.679 14.848 -1.823 1.00 25.51 H new ATOM 0 HB3 ALA A 64 -15.110 15.653 -0.341 1.00 25.51 H new ATOM 283 N LEU A 65 -16.764 16.618 1.579 1.00 35.13 N ATOM 284 CA LEU A 65 -16.977 16.858 3.002 1.00 31.14 C ATOM 285 C LEU A 65 -16.865 15.560 3.796 1.00 10.32 C ATOM 286 O LEU A 65 -17.336 15.471 4.929 1.00 34.11 O ATOM 287 CB LEU A 65 -18.349 17.493 3.233 1.00 13.41 C ATOM 288 CG LEU A 65 -18.346 18.966 3.645 1.00 54.05 C ATOM 289 CD1 LEU A 65 -17.551 19.797 2.650 1.00 65.42 C ATOM 290 CD2 LEU A 65 -19.770 19.490 3.761 1.00 53.11 C ATOM 0 H LEU A 65 -15.950 17.093 1.188 1.00 35.13 H new ATOM 0 HA LEU A 65 -16.203 17.543 3.349 1.00 31.14 H new ATOM 0 HB2 LEU A 65 -18.932 17.394 2.317 1.00 13.41 H new ATOM 0 HB3 LEU A 65 -18.866 16.922 4.004 1.00 13.41 H new ATOM 0 HG LEU A 65 -17.868 19.049 4.621 1.00 54.05 H new ATOM 0 HD11 LEU A 65 -17.560 20.842 2.960 1.00 65.42 H new ATOM 0 HD12 LEU A 65 -16.523 19.438 2.616 1.00 65.42 H new ATOM 0 HD13 LEU A 65 -18.000 19.708 1.661 1.00 65.42 H new ATOM 0 HD21 LEU A 65 -19.749 20.539 4.055 1.00 53.11 H new ATOM 0 HD22 LEU A 65 -20.273 19.393 2.799 1.00 53.11 H new ATOM 0 HD23 LEU A 65 -20.310 18.914 4.512 1.00 53.11 H new ATOM 302 N GLY A 66 -16.235 14.556 3.194 1.00 51.24 N ATOM 303 CA GLY A 66 -16.070 13.277 3.860 1.00 54.43 C ATOM 304 C GLY A 66 -15.304 12.279 3.016 1.00 63.42 C ATOM 305 O GLY A 66 -14.507 11.499 3.537 1.00 43.41 O ATOM 0 H GLY A 66 -15.836 14.605 2.257 1.00 51.24 H new ATOM 0 HA2 GLY A 66 -15.546 13.427 4.804 1.00 54.43 H new ATOM 0 HA3 GLY A 66 -17.051 12.867 4.101 1.00 54.43 H new ATOM 309 N GLU A 67 -15.546 12.301 1.709 1.00 74.31 N ATOM 310 CA GLU A 67 -14.874 11.388 0.792 1.00 22.42 C ATOM 311 C GLU A 67 -13.461 11.873 0.479 1.00 14.33 C ATOM 312 O GLU A 67 -12.572 11.077 0.177 1.00 5.10 O ATOM 313 CB GLU A 67 -15.676 11.248 -0.503 1.00 63.04 C ATOM 314 CG GLU A 67 -16.875 10.323 -0.380 1.00 40.23 C ATOM 315 CD GLU A 67 -16.481 8.860 -0.331 1.00 24.21 C ATOM 316 OE1 GLU A 67 -15.548 8.472 -1.066 1.00 0.33 O ATOM 317 OE2 GLU A 67 -17.104 8.103 0.442 1.00 70.53 O ATOM 0 H GLU A 67 -16.202 12.941 1.262 1.00 74.31 H new ATOM 0 HA GLU A 67 -14.806 10.413 1.275 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -16.019 12.234 -0.816 1.00 63.04 H new ATOM 0 HB3 GLU A 67 -15.019 10.875 -1.289 1.00 63.04 H new ATOM 0 HG2 GLU A 67 -17.433 10.575 0.522 1.00 40.23 H new ATOM 0 HG3 GLU A 67 -17.544 10.487 -1.225 1.00 40.23 H new ATOM 324 N LEU A 68 -13.263 13.185 0.553 1.00 33.34 N ATOM 325 CA LEU A 68 -11.960 13.778 0.278 1.00 45.32 C ATOM 326 C LEU A 68 -11.077 13.757 1.522 1.00 34.30 C ATOM 327 O LEU A 68 -9.851 13.811 1.427 1.00 71.33 O ATOM 328 CB LEU A 68 -12.126 15.216 -0.218 1.00 72.32 C ATOM 329 CG LEU A 68 -11.183 15.652 -1.340 1.00 2.55 C ATOM 330 CD1 LEU A 68 -9.741 15.646 -0.857 1.00 24.52 C ATOM 331 CD2 LEU A 68 -11.345 14.751 -2.554 1.00 62.54 C ATOM 0 H LEU A 68 -13.989 13.858 0.801 1.00 33.34 H new ATOM 0 HA LEU A 68 -11.476 13.185 -0.498 1.00 45.32 H new ATOM 0 HB2 LEU A 68 -13.152 15.344 -0.563 1.00 72.32 H new ATOM 0 HB3 LEU A 68 -11.988 15.889 0.628 1.00 72.32 H new ATOM 0 HG LEU A 68 -11.443 16.670 -1.632 1.00 2.55 H new ATOM 0 HD11 LEU A 68 -9.084 15.959 -1.669 1.00 24.52 H new ATOM 0 HD12 LEU A 68 -9.635 16.335 -0.019 1.00 24.52 H new ATOM 0 HD13 LEU A 68 -9.469 14.640 -0.537 1.00 24.52 H new ATOM 0 HD21 LEU A 68 -10.666 15.077 -3.342 1.00 62.54 H new ATOM 0 HD22 LEU A 68 -11.113 13.723 -2.277 1.00 62.54 H new ATOM 0 HD23 LEU A 68 -12.372 14.807 -2.914 1.00 62.54 H new ATOM 343 N ASP A 69 -11.709 13.675 2.688 1.00 55.35 N ATOM 344 CA ASP A 69 -10.982 13.643 3.951 1.00 32.12 C ATOM 345 C ASP A 69 -10.055 12.433 4.014 1.00 73.12 C ATOM 346 O ASP A 69 -9.117 12.396 4.810 1.00 0.30 O ATOM 347 CB ASP A 69 -11.960 13.613 5.127 1.00 74.15 C ATOM 348 CG ASP A 69 -11.302 13.995 6.438 1.00 61.34 C ATOM 349 OD1 ASP A 69 -10.176 14.535 6.402 1.00 73.15 O ATOM 350 OD2 ASP A 69 -11.913 13.754 7.500 1.00 45.11 O ATOM 0 H ASP A 69 -12.723 13.629 2.784 1.00 55.35 H new ATOM 0 HA ASP A 69 -10.376 14.547 4.016 1.00 32.12 H new ATOM 0 HB2 ASP A 69 -12.786 14.295 4.926 1.00 74.15 H new ATOM 0 HB3 ASP A 69 -12.386 12.614 5.216 1.00 74.15 H new ATOM 355 N LYS A 70 -10.325 11.443 3.169 1.00 12.05 N ATOM 356 CA LYS A 70 -9.516 10.231 3.128 1.00 73.45 C ATOM 357 C LYS A 70 -8.256 10.446 2.296 1.00 60.12 C ATOM 358 O LYS A 70 -7.441 9.536 2.139 1.00 45.13 O ATOM 359 CB LYS A 70 -10.330 9.070 2.550 1.00 45.14 C ATOM 360 CG LYS A 70 -10.550 7.933 3.532 1.00 13.34 C ATOM 361 CD LYS A 70 -10.886 6.635 2.817 1.00 4.23 C ATOM 362 CE LYS A 70 -12.304 6.180 3.124 1.00 11.12 C ATOM 363 NZ LYS A 70 -13.320 7.055 2.475 1.00 22.15 N ATOM 0 H LYS A 70 -11.098 11.457 2.504 1.00 12.05 H new ATOM 0 HA LYS A 70 -9.219 9.987 4.148 1.00 73.45 H new ATOM 0 HB2 LYS A 70 -11.298 9.446 2.219 1.00 45.14 H new ATOM 0 HB3 LYS A 70 -9.820 8.683 1.668 1.00 45.14 H new ATOM 0 HG2 LYS A 70 -9.654 7.795 4.137 1.00 13.34 H new ATOM 0 HG3 LYS A 70 -11.358 8.193 4.215 1.00 13.34 H new ATOM 0 HD2 LYS A 70 -10.771 6.771 1.742 1.00 4.23 H new ATOM 0 HD3 LYS A 70 -10.181 5.860 3.118 1.00 4.23 H new ATOM 0 HE2 LYS A 70 -12.438 5.153 2.783 1.00 11.12 H new ATOM 0 HE3 LYS A 70 -12.460 6.181 4.203 1.00 11.12 H new ATOM 0 HZ1 LYS A 70 -14.274 6.712 2.708 1.00 22.15 H new ATOM 0 HZ2 LYS A 70 -13.209 8.030 2.819 1.00 22.15 H new ATOM 0 HZ3 LYS A 70 -13.188 7.035 1.444 1.00 22.15 H new ATOM 377 N LEU A 71 -8.102 11.654 1.766 1.00 5.32 N ATOM 378 CA LEU A 71 -6.939 11.990 0.951 1.00 22.34 C ATOM 379 C LEU A 71 -6.151 13.139 1.573 1.00 33.41 C ATOM 380 O LEU A 71 -4.958 13.011 1.846 1.00 44.13 O ATOM 381 CB LEU A 71 -7.376 12.364 -0.466 1.00 64.00 C ATOM 382 CG LEU A 71 -6.278 12.894 -1.389 1.00 5.13 C ATOM 383 CD1 LEU A 71 -6.563 12.512 -2.833 1.00 22.53 C ATOM 384 CD2 LEU A 71 -6.148 14.404 -1.251 1.00 0.12 C ATOM 0 H LEU A 71 -8.768 12.418 1.886 1.00 5.32 H new ATOM 0 HA LEU A 71 -6.292 11.114 0.906 1.00 22.34 H new ATOM 0 HB2 LEU A 71 -7.821 11.485 -0.931 1.00 64.00 H new ATOM 0 HB3 LEU A 71 -8.160 13.118 -0.396 1.00 64.00 H new ATOM 0 HG LEU A 71 -5.332 12.439 -1.095 1.00 5.13 H new ATOM 0 HD11 LEU A 71 -5.771 12.898 -3.475 1.00 22.53 H new ATOM 0 HD12 LEU A 71 -6.604 11.426 -2.921 1.00 22.53 H new ATOM 0 HD13 LEU A 71 -7.518 12.938 -3.140 1.00 22.53 H new ATOM 0 HD21 LEU A 71 -5.362 14.764 -1.915 1.00 0.12 H new ATOM 0 HD22 LEU A 71 -7.093 14.876 -1.518 1.00 0.12 H new ATOM 0 HD23 LEU A 71 -5.895 14.655 -0.221 1.00 0.12 H new ATOM 396 N VAL A 72 -6.828 14.260 1.797 1.00 14.50 N ATOM 397 CA VAL A 72 -6.193 15.431 2.390 1.00 52.30 C ATOM 398 C VAL A 72 -5.522 15.081 3.713 1.00 12.44 C ATOM 399 O VAL A 72 -4.523 15.690 4.096 1.00 41.40 O ATOM 400 CB VAL A 72 -7.211 16.563 2.627 1.00 73.35 C ATOM 401 CG1 VAL A 72 -8.255 16.137 3.648 1.00 50.11 C ATOM 402 CG2 VAL A 72 -6.502 17.832 3.074 1.00 71.11 C ATOM 0 H VAL A 72 -7.816 14.382 1.577 1.00 14.50 H new ATOM 0 HA VAL A 72 -5.438 15.774 1.682 1.00 52.30 H new ATOM 0 HB VAL A 72 -7.722 16.772 1.687 1.00 73.35 H new ATOM 0 HG11 VAL A 72 -8.965 16.949 3.803 1.00 50.11 H new ATOM 0 HG12 VAL A 72 -8.784 15.257 3.282 1.00 50.11 H new ATOM 0 HG13 VAL A 72 -7.765 15.899 4.592 1.00 50.11 H new ATOM 0 HG21 VAL A 72 -7.236 18.621 3.237 1.00 71.11 H new ATOM 0 HG22 VAL A 72 -5.964 17.640 4.002 1.00 71.11 H new ATOM 0 HG23 VAL A 72 -5.797 18.146 2.304 1.00 71.11 H new ATOM 412 N LYS A 73 -6.078 14.095 4.410 1.00 43.44 N ATOM 413 CA LYS A 73 -5.533 13.661 5.691 1.00 51.25 C ATOM 414 C LYS A 73 -4.612 12.459 5.511 1.00 71.33 C ATOM 415 O LYS A 73 -3.670 12.266 6.279 1.00 4.42 O ATOM 416 CB LYS A 73 -6.666 13.309 6.657 1.00 54.12 C ATOM 417 CG LYS A 73 -6.182 12.771 7.992 1.00 10.42 C ATOM 418 CD LYS A 73 -7.317 12.672 8.998 1.00 4.10 C ATOM 419 CE LYS A 73 -7.844 11.249 9.105 1.00 50.52 C ATOM 420 NZ LYS A 73 -8.423 10.972 10.448 1.00 30.14 N ATOM 0 H LYS A 73 -6.906 13.581 4.109 1.00 43.44 H new ATOM 0 HA LYS A 73 -4.951 14.483 6.107 1.00 51.25 H new ATOM 0 HB2 LYS A 73 -7.273 14.198 6.831 1.00 54.12 H new ATOM 0 HB3 LYS A 73 -7.314 12.568 6.189 1.00 54.12 H new ATOM 0 HG2 LYS A 73 -5.735 11.787 7.848 1.00 10.42 H new ATOM 0 HG3 LYS A 73 -5.401 13.421 8.386 1.00 10.42 H new ATOM 0 HD2 LYS A 73 -6.969 13.007 9.975 1.00 4.10 H new ATOM 0 HD3 LYS A 73 -8.126 13.340 8.702 1.00 4.10 H new ATOM 0 HE2 LYS A 73 -8.604 11.085 8.341 1.00 50.52 H new ATOM 0 HE3 LYS A 73 -7.035 10.546 8.906 1.00 50.52 H new ATOM 0 HZ1 LYS A 73 -8.771 9.992 10.481 1.00 30.14 H new ATOM 0 HZ2 LYS A 73 -7.691 11.104 11.175 1.00 30.14 H new ATOM 0 HZ3 LYS A 73 -9.212 11.626 10.628 1.00 30.14 H new ATOM 434 N ASP A 74 -4.890 11.654 4.491 1.00 30.22 N ATOM 435 CA ASP A 74 -4.085 10.471 4.209 1.00 4.30 C ATOM 436 C ASP A 74 -2.946 10.805 3.250 1.00 53.31 C ATOM 437 O ASP A 74 -2.320 9.912 2.681 1.00 72.24 O ATOM 438 CB ASP A 74 -4.957 9.363 3.618 1.00 31.32 C ATOM 439 CG ASP A 74 -4.510 7.981 4.052 1.00 31.33 C ATOM 440 OD1 ASP A 74 -4.879 7.561 5.169 1.00 32.13 O ATOM 441 OD2 ASP A 74 -3.792 7.318 3.275 1.00 42.52 O ATOM 0 H ASP A 74 -5.667 11.799 3.846 1.00 30.22 H new ATOM 0 HA ASP A 74 -3.655 10.122 5.148 1.00 4.30 H new ATOM 0 HB2 ASP A 74 -5.992 9.519 3.921 1.00 31.32 H new ATOM 0 HB3 ASP A 74 -4.931 9.425 2.530 1.00 31.32 H new ATOM 446 N GLN A 75 -2.686 12.097 3.076 1.00 25.11 N ATOM 447 CA GLN A 75 -1.624 12.548 2.184 1.00 2.13 C ATOM 448 C GLN A 75 -0.736 13.579 2.873 1.00 40.40 C ATOM 449 O GLN A 75 0.476 13.395 2.983 1.00 33.10 O ATOM 450 CB GLN A 75 -2.220 13.142 0.907 1.00 2.51 C ATOM 451 CG GLN A 75 -1.175 13.555 -0.117 1.00 70.02 C ATOM 452 CD GLN A 75 -0.561 12.369 -0.835 1.00 55.11 C ATOM 453 OE1 GLN A 75 0.661 12.235 -0.905 1.00 14.15 O ATOM 454 NE2 GLN A 75 -1.409 11.500 -1.374 1.00 65.10 N ATOM 0 H GLN A 75 -3.195 12.849 3.540 1.00 25.11 H new ATOM 0 HA GLN A 75 -1.012 11.685 1.923 1.00 2.13 H new ATOM 0 HB2 GLN A 75 -2.891 12.411 0.455 1.00 2.51 H new ATOM 0 HB3 GLN A 75 -2.824 14.011 1.168 1.00 2.51 H new ATOM 0 HG2 GLN A 75 -1.632 14.221 -0.849 1.00 70.02 H new ATOM 0 HG3 GLN A 75 -0.388 14.121 0.381 1.00 70.02 H new ATOM 0 HE21 GLN A 75 -2.414 11.651 -1.292 1.00 65.10 H new ATOM 0 HE22 GLN A 75 -1.055 10.682 -1.870 1.00 65.10 H new ATOM 463 N ALA A 76 -1.347 14.665 3.335 1.00 54.35 N ATOM 464 CA ALA A 76 -0.613 15.725 4.014 1.00 43.11 C ATOM 465 C ALA A 76 -0.159 15.277 5.399 1.00 4.41 C ATOM 466 O ALA A 76 0.707 15.902 6.011 1.00 54.31 O ATOM 467 CB ALA A 76 -1.469 16.979 4.117 1.00 62.34 C ATOM 0 H ALA A 76 -2.349 14.834 3.251 1.00 54.35 H new ATOM 0 HA ALA A 76 0.275 15.953 3.425 1.00 43.11 H new ATOM 0 HB1 ALA A 76 -0.907 17.762 4.626 1.00 62.34 H new ATOM 0 HB2 ALA A 76 -1.739 17.318 3.117 1.00 62.34 H new ATOM 0 HB3 ALA A 76 -2.374 16.756 4.681 1.00 62.34 H new ATOM 473 N ASN A 77 -0.749 14.192 5.888 1.00 21.40 N ATOM 474 CA ASN A 77 -0.405 13.661 7.202 1.00 14.24 C ATOM 475 C ASN A 77 0.052 12.209 7.100 1.00 5.44 C ATOM 476 O ASN A 77 0.372 11.576 8.106 1.00 14.43 O ATOM 477 CB ASN A 77 -1.605 13.764 8.146 1.00 0.24 C ATOM 478 CG ASN A 77 -2.392 15.045 7.944 1.00 61.42 C ATOM 479 OD1 ASN A 77 -3.622 15.028 7.888 1.00 44.41 O ATOM 480 ND2 ASN A 77 -1.684 16.163 7.832 1.00 21.45 N ATOM 0 H ASN A 77 -1.468 13.663 5.394 1.00 21.40 H new ATOM 0 HA ASN A 77 0.417 14.255 7.602 1.00 14.24 H new ATOM 0 HB2 ASN A 77 -2.262 12.909 7.989 1.00 0.24 H new ATOM 0 HB3 ASN A 77 -1.257 13.713 9.178 1.00 0.24 H new ATOM 0 HD21 ASN A 77 -2.158 17.055 7.693 1.00 21.45 H new ATOM 0 HD22 ASN A 77 -0.666 16.129 7.885 1.00 21.45 H new ATOM 487 N ALA A 78 0.082 11.689 5.878 1.00 24.41 N ATOM 488 CA ALA A 78 0.504 10.313 5.644 1.00 74.01 C ATOM 489 C ALA A 78 1.756 10.263 4.776 1.00 62.42 C ATOM 490 O ALA A 78 2.530 9.308 4.840 1.00 1.44 O ATOM 491 CB ALA A 78 -0.622 9.519 4.997 1.00 43.43 C ATOM 0 H ALA A 78 -0.181 12.199 5.035 1.00 24.41 H new ATOM 0 HA ALA A 78 0.744 9.863 6.607 1.00 74.01 H new ATOM 0 HB1 ALA A 78 -0.294 8.494 4.828 1.00 43.43 H new ATOM 0 HB2 ALA A 78 -1.491 9.518 5.655 1.00 43.43 H new ATOM 0 HB3 ALA A 78 -0.889 9.976 4.044 1.00 43.43 H new ATOM 497 N GLY A 79 1.949 11.297 3.963 1.00 63.35 N ATOM 498 CA GLY A 79 3.109 11.350 3.092 1.00 25.43 C ATOM 499 C GLY A 79 2.843 12.124 1.817 1.00 73.22 C ATOM 500 O GLY A 79 2.501 11.539 0.789 1.00 2.31 O ATOM 0 H GLY A 79 1.323 12.099 3.892 1.00 63.35 H new ATOM 0 HA2 GLY A 79 3.940 11.811 3.626 1.00 25.43 H new ATOM 0 HA3 GLY A 79 3.416 10.335 2.840 1.00 25.43 H new ATOM 504 N GLN A 80 2.997 13.442 1.883 1.00 1.34 N ATOM 505 CA GLN A 80 2.768 14.297 0.725 1.00 52.23 C ATOM 506 C GLN A 80 3.894 14.148 -0.293 1.00 53.12 C ATOM 507 O GLN A 80 4.770 15.007 -0.393 1.00 74.21 O ATOM 508 CB GLN A 80 2.647 15.759 1.159 1.00 61.01 C ATOM 509 CG GLN A 80 3.797 16.230 2.035 1.00 15.31 C ATOM 510 CD GLN A 80 3.415 16.320 3.500 1.00 63.24 C ATOM 511 OE1 GLN A 80 2.389 17.108 3.797 1.00 24.54 O flip ATOM 512 NE2 GLN A 80 4.036 15.688 4.354 1.00 0.13 N flip ATOM 0 H GLN A 80 3.280 13.941 2.726 1.00 1.34 H new ATOM 0 HA GLN A 80 1.835 13.987 0.255 1.00 52.23 H new ATOM 0 HB2 GLN A 80 2.595 16.390 0.272 1.00 61.01 H new ATOM 0 HB3 GLN A 80 1.710 15.892 1.700 1.00 61.01 H new ATOM 0 HG2 GLN A 80 4.638 15.545 1.924 1.00 15.31 H new ATOM 0 HG3 GLN A 80 4.135 17.208 1.691 1.00 15.31 H new ATOM 0 HE21 GLN A 80 4.819 15.094 4.080 1.00 0.13 H new ATOM 0 HE22 GLN A 80 3.768 15.758 5.336 1.00 0.13 H new ATOM 521 N GLN A 81 3.863 13.053 -1.046 1.00 25.15 N ATOM 522 CA GLN A 81 4.883 12.792 -2.055 1.00 32.41 C ATOM 523 C GLN A 81 4.477 13.378 -3.403 1.00 31.00 C ATOM 524 O GLN A 81 5.309 13.543 -4.294 1.00 62.21 O ATOM 525 CB GLN A 81 5.122 11.287 -2.191 1.00 70.10 C ATOM 526 CG GLN A 81 6.058 10.920 -3.331 1.00 41.43 C ATOM 527 CD GLN A 81 7.435 11.537 -3.177 1.00 75.25 C ATOM 528 OE1 GLN A 81 7.971 12.128 -4.115 1.00 61.21 O ATOM 529 NE2 GLN A 81 8.014 11.402 -1.990 1.00 44.35 N ATOM 0 H GLN A 81 3.144 12.333 -0.977 1.00 25.15 H new ATOM 0 HA GLN A 81 5.807 13.272 -1.734 1.00 32.41 H new ATOM 0 HB2 GLN A 81 5.535 10.907 -1.256 1.00 70.10 H new ATOM 0 HB3 GLN A 81 4.165 10.788 -2.343 1.00 70.10 H new ATOM 0 HG2 GLN A 81 6.154 9.835 -3.383 1.00 41.43 H new ATOM 0 HG3 GLN A 81 5.621 11.247 -4.275 1.00 41.43 H new ATOM 0 HE21 GLN A 81 7.532 10.904 -1.241 1.00 44.35 H new ATOM 0 HE22 GLN A 81 8.940 11.796 -1.827 1.00 44.35 H new ATOM 538 N GLU A 82 3.192 13.690 -3.544 1.00 45.44 N ATOM 539 CA GLU A 82 2.677 14.257 -4.785 1.00 50.30 C ATOM 540 C GLU A 82 2.772 15.780 -4.768 1.00 40.21 C ATOM 541 O GLU A 82 3.649 16.366 -5.404 1.00 31.22 O ATOM 542 CB GLU A 82 1.224 13.828 -5.003 1.00 4.41 C ATOM 543 CG GLU A 82 1.078 12.390 -5.470 1.00 21.12 C ATOM 544 CD GLU A 82 1.515 11.388 -4.419 1.00 13.14 C ATOM 545 OE1 GLU A 82 0.891 11.355 -3.337 1.00 24.42 O ATOM 546 OE2 GLU A 82 2.479 10.638 -4.677 1.00 40.22 O ATOM 0 H GLU A 82 2.490 13.560 -2.816 1.00 45.44 H new ATOM 0 HA GLU A 82 3.287 13.881 -5.607 1.00 50.30 H new ATOM 0 HB2 GLU A 82 0.672 13.957 -4.072 1.00 4.41 H new ATOM 0 HB3 GLU A 82 0.765 14.489 -5.739 1.00 4.41 H new ATOM 0 HG2 GLU A 82 0.038 12.202 -5.735 1.00 21.12 H new ATOM 0 HG3 GLU A 82 1.669 12.244 -6.374 1.00 21.12 H new ATOM 553 N PHE A 83 1.863 16.416 -4.036 1.00 72.25 N ATOM 554 CA PHE A 83 1.842 17.871 -3.937 1.00 61.53 C ATOM 555 C PHE A 83 2.500 18.337 -2.642 1.00 35.35 C ATOM 556 O PHE A 83 2.636 17.568 -1.689 1.00 51.33 O ATOM 557 CB PHE A 83 0.404 18.387 -4.007 1.00 53.32 C ATOM 558 CG PHE A 83 -0.362 18.203 -2.728 1.00 52.53 C ATOM 559 CD1 PHE A 83 -0.322 19.170 -1.736 1.00 25.30 C ATOM 560 CD2 PHE A 83 -1.123 17.065 -2.519 1.00 32.24 C ATOM 561 CE1 PHE A 83 -1.025 19.002 -0.558 1.00 3.50 C ATOM 562 CE2 PHE A 83 -1.829 16.892 -1.343 1.00 1.33 C ATOM 563 CZ PHE A 83 -1.780 17.863 -0.362 1.00 13.04 C ATOM 0 H PHE A 83 1.131 15.947 -3.503 1.00 72.25 H new ATOM 0 HA PHE A 83 2.407 18.276 -4.777 1.00 61.53 H new ATOM 0 HB2 PHE A 83 0.419 19.446 -4.263 1.00 53.32 H new ATOM 0 HB3 PHE A 83 -0.120 17.872 -4.812 1.00 53.32 H new ATOM 0 HD1 PHE A 83 0.265 20.064 -1.885 1.00 25.30 H new ATOM 0 HD2 PHE A 83 -1.165 16.304 -3.284 1.00 32.24 H new ATOM 0 HE1 PHE A 83 -0.984 19.761 0.209 1.00 3.50 H new ATOM 0 HE2 PHE A 83 -2.418 15.999 -1.192 1.00 1.33 H new ATOM 0 HZ PHE A 83 -2.332 17.731 0.557 1.00 13.04 H new ATOM 573 N LYS A 84 2.906 19.601 -2.613 1.00 40.31 N ATOM 574 CA LYS A 84 3.549 20.173 -1.436 1.00 32.33 C ATOM 575 C LYS A 84 3.149 21.633 -1.252 1.00 53.11 C ATOM 576 O LYS A 84 3.814 22.385 -0.538 1.00 61.24 O ATOM 577 CB LYS A 84 5.070 20.061 -1.555 1.00 64.11 C ATOM 578 CG LYS A 84 5.675 21.029 -2.558 1.00 35.32 C ATOM 579 CD LYS A 84 7.037 20.557 -3.037 1.00 71.43 C ATOM 580 CE LYS A 84 7.632 21.515 -4.057 1.00 53.43 C ATOM 581 NZ LYS A 84 8.371 22.631 -3.404 1.00 52.25 N ATOM 0 H LYS A 84 2.801 20.250 -3.393 1.00 40.31 H new ATOM 0 HA LYS A 84 3.217 19.611 -0.563 1.00 32.33 H new ATOM 0 HB2 LYS A 84 5.517 20.238 -0.577 1.00 64.11 H new ATOM 0 HB3 LYS A 84 5.329 19.042 -1.844 1.00 64.11 H new ATOM 0 HG2 LYS A 84 5.005 21.136 -3.411 1.00 35.32 H new ATOM 0 HG3 LYS A 84 5.770 22.014 -2.102 1.00 35.32 H new ATOM 0 HD2 LYS A 84 7.712 20.465 -2.186 1.00 71.43 H new ATOM 0 HD3 LYS A 84 6.945 19.565 -3.479 1.00 71.43 H new ATOM 0 HE2 LYS A 84 8.307 20.970 -4.717 1.00 53.43 H new ATOM 0 HE3 LYS A 84 6.836 21.922 -4.680 1.00 53.43 H new ATOM 0 HZ1 LYS A 84 8.762 23.262 -4.133 1.00 52.25 H new ATOM 0 HZ2 LYS A 84 7.722 23.167 -2.794 1.00 52.25 H new ATOM 0 HZ3 LYS A 84 9.147 22.244 -2.829 1.00 52.25 H new ATOM 595 N LEU A 85 2.058 22.029 -1.899 1.00 32.52 N ATOM 596 CA LEU A 85 1.568 23.399 -1.806 1.00 13.45 C ATOM 597 C LEU A 85 0.453 23.510 -0.770 1.00 60.02 C ATOM 598 O LEU A 85 -0.177 22.522 -0.393 1.00 13.12 O ATOM 599 CB LEU A 85 1.062 23.875 -3.169 1.00 2.13 C ATOM 600 CG LEU A 85 -0.452 23.827 -3.377 1.00 62.02 C ATOM 601 CD1 LEU A 85 -0.822 24.401 -4.736 1.00 0.10 C ATOM 602 CD2 LEU A 85 -0.964 22.400 -3.242 1.00 2.45 C ATOM 0 H LEU A 85 1.496 21.420 -2.494 1.00 32.52 H new ATOM 0 HA LEU A 85 2.396 24.034 -1.491 1.00 13.45 H new ATOM 0 HB2 LEU A 85 1.397 24.901 -3.320 1.00 2.13 H new ATOM 0 HB3 LEU A 85 1.534 23.268 -3.942 1.00 2.13 H new ATOM 0 HG LEU A 85 -0.925 24.436 -2.607 1.00 62.02 H new ATOM 0 HD11 LEU A 85 -1.903 24.359 -4.867 1.00 0.10 H new ATOM 0 HD12 LEU A 85 -0.490 25.437 -4.796 1.00 0.10 H new ATOM 0 HD13 LEU A 85 -0.339 23.819 -5.521 1.00 0.10 H new ATOM 0 HD21 LEU A 85 -2.043 22.385 -3.393 1.00 2.45 H new ATOM 0 HD22 LEU A 85 -0.484 21.769 -3.990 1.00 2.45 H new ATOM 0 HD23 LEU A 85 -0.732 22.023 -2.246 1.00 2.45 H new ATOM 614 N PRO A 86 0.201 24.741 -0.300 1.00 63.15 N ATOM 615 CA PRO A 86 -0.840 25.010 0.695 1.00 11.44 C ATOM 616 C PRO A 86 -2.244 24.833 0.128 1.00 14.32 C ATOM 617 O PRO A 86 -2.421 24.286 -0.961 1.00 13.25 O ATOM 618 CB PRO A 86 -0.597 26.473 1.075 1.00 14.33 C ATOM 619 CG PRO A 86 0.079 27.066 -0.112 1.00 65.22 C ATOM 620 CD PRO A 86 0.913 25.964 -0.706 1.00 5.31 C ATOM 0 HA PRO A 86 -0.786 24.321 1.538 1.00 11.44 H new ATOM 0 HB2 PRO A 86 -1.534 26.986 1.294 1.00 14.33 H new ATOM 0 HB3 PRO A 86 0.026 26.552 1.966 1.00 14.33 H new ATOM 0 HG2 PRO A 86 -0.651 27.435 -0.833 1.00 65.22 H new ATOM 0 HG3 PRO A 86 0.700 27.914 0.176 1.00 65.22 H new ATOM 0 HD2 PRO A 86 0.978 26.050 -1.791 1.00 5.31 H new ATOM 0 HD3 PRO A 86 1.933 25.981 -0.323 1.00 5.31 H new ATOM 628 N LYS A 87 -3.241 25.300 0.873 1.00 73.34 N ATOM 629 CA LYS A 87 -4.631 25.195 0.444 1.00 61.12 C ATOM 630 C LYS A 87 -5.044 26.420 -0.366 1.00 73.52 C ATOM 631 O LYS A 87 -5.885 27.208 0.068 1.00 62.44 O ATOM 632 CB LYS A 87 -5.550 25.039 1.657 1.00 32.23 C ATOM 633 CG LYS A 87 -5.118 23.937 2.610 1.00 54.41 C ATOM 634 CD LYS A 87 -6.186 23.652 3.653 1.00 4.32 C ATOM 635 CE LYS A 87 -7.362 22.896 3.055 1.00 22.31 C ATOM 636 NZ LYS A 87 -8.346 22.488 4.096 1.00 63.43 N ATOM 0 H LYS A 87 -3.112 25.755 1.777 1.00 73.34 H new ATOM 0 HA LYS A 87 -4.724 24.313 -0.190 1.00 61.12 H new ATOM 0 HB2 LYS A 87 -5.585 25.984 2.199 1.00 32.23 H new ATOM 0 HB3 LYS A 87 -6.563 24.832 1.311 1.00 32.23 H new ATOM 0 HG2 LYS A 87 -4.907 23.028 2.046 1.00 54.41 H new ATOM 0 HG3 LYS A 87 -4.191 24.226 3.106 1.00 54.41 H new ATOM 0 HD2 LYS A 87 -5.754 23.070 4.467 1.00 4.32 H new ATOM 0 HD3 LYS A 87 -6.536 24.591 4.083 1.00 4.32 H new ATOM 0 HE2 LYS A 87 -7.857 23.522 2.313 1.00 22.31 H new ATOM 0 HE3 LYS A 87 -6.997 22.011 2.533 1.00 22.31 H new ATOM 0 HZ1 LYS A 87 -9.132 21.975 3.648 1.00 63.43 H new ATOM 0 HZ2 LYS A 87 -7.880 21.870 4.790 1.00 63.43 H new ATOM 0 HZ3 LYS A 87 -8.713 23.334 4.577 1.00 63.43 H new ATOM 650 N ASP A 88 -4.450 26.572 -1.544 1.00 43.12 N ATOM 651 CA ASP A 88 -4.758 27.700 -2.416 1.00 73.41 C ATOM 652 C ASP A 88 -5.552 27.242 -3.636 1.00 11.12 C ATOM 653 O ASP A 88 -6.278 28.026 -4.247 1.00 13.42 O ATOM 654 CB ASP A 88 -3.471 28.395 -2.861 1.00 63.35 C ATOM 655 CG ASP A 88 -2.758 29.084 -1.714 1.00 71.24 C ATOM 656 OD1 ASP A 88 -3.247 28.987 -0.569 1.00 44.24 O ATOM 657 OD2 ASP A 88 -1.712 29.720 -1.962 1.00 14.42 O ATOM 0 H ASP A 88 -3.752 25.928 -1.918 1.00 43.12 H new ATOM 0 HA ASP A 88 -5.367 28.407 -1.853 1.00 73.41 H new ATOM 0 HB2 ASP A 88 -2.803 27.661 -3.312 1.00 63.35 H new ATOM 0 HB3 ASP A 88 -3.706 29.129 -3.632 1.00 63.35 H new ATOM 662 N PHE A 89 -5.408 25.968 -3.985 1.00 42.24 N ATOM 663 CA PHE A 89 -6.110 25.406 -5.134 1.00 3.44 C ATOM 664 C PHE A 89 -7.396 24.710 -4.698 1.00 25.04 C ATOM 665 O PHE A 89 -7.819 23.725 -5.303 1.00 65.34 O ATOM 666 CB PHE A 89 -5.208 24.418 -5.876 1.00 43.31 C ATOM 667 CG PHE A 89 -5.674 24.113 -7.271 1.00 25.10 C ATOM 668 CD1 PHE A 89 -5.730 25.111 -8.231 1.00 30.33 C ATOM 669 CD2 PHE A 89 -6.055 22.828 -7.622 1.00 54.23 C ATOM 670 CE1 PHE A 89 -6.158 24.833 -9.515 1.00 42.04 C ATOM 671 CE2 PHE A 89 -6.484 22.545 -8.905 1.00 64.54 C ATOM 672 CZ PHE A 89 -6.536 23.548 -9.853 1.00 11.33 C ATOM 0 H PHE A 89 -4.812 25.305 -3.489 1.00 42.24 H new ATOM 0 HA PHE A 89 -6.370 26.224 -5.805 1.00 3.44 H new ATOM 0 HB2 PHE A 89 -4.197 24.823 -5.920 1.00 43.31 H new ATOM 0 HB3 PHE A 89 -5.155 23.489 -5.308 1.00 43.31 H new ATOM 0 HD1 PHE A 89 -5.436 26.117 -7.973 1.00 30.33 H new ATOM 0 HD2 PHE A 89 -6.016 22.039 -6.885 1.00 54.23 H new ATOM 0 HE1 PHE A 89 -6.197 25.620 -10.254 1.00 42.04 H new ATOM 0 HE2 PHE A 89 -6.779 21.539 -9.166 1.00 64.54 H new ATOM 0 HZ PHE A 89 -6.871 23.328 -10.856 1.00 11.33 H new ATOM 682 N THR A 90 -8.014 25.229 -3.641 1.00 63.11 N ATOM 683 CA THR A 90 -9.250 24.657 -3.122 1.00 3.42 C ATOM 684 C THR A 90 -10.389 25.669 -3.177 1.00 62.10 C ATOM 685 O THR A 90 -11.553 25.318 -2.990 1.00 10.24 O ATOM 686 CB THR A 90 -9.078 24.173 -1.670 1.00 11.34 C ATOM 687 OG1 THR A 90 -8.769 25.281 -0.817 1.00 52.50 O ATOM 688 CG2 THR A 90 -7.975 23.130 -1.574 1.00 10.23 C ATOM 0 H THR A 90 -7.678 26.044 -3.128 1.00 63.11 H new ATOM 0 HA THR A 90 -9.494 23.804 -3.755 1.00 3.42 H new ATOM 0 HB THR A 90 -10.015 23.718 -1.349 1.00 11.34 H new ATOM 0 HG1 THR A 90 -8.663 24.965 0.105 1.00 52.50 H new ATOM 0 HG21 THR A 90 -7.872 22.803 -0.539 1.00 10.23 H new ATOM 0 HG22 THR A 90 -8.227 22.275 -2.201 1.00 10.23 H new ATOM 0 HG23 THR A 90 -7.034 23.563 -1.913 1.00 10.23 H new ATOM 696 N GLY A 91 -10.045 26.927 -3.436 1.00 72.04 N ATOM 697 CA GLY A 91 -11.051 27.970 -3.512 1.00 53.12 C ATOM 698 C GLY A 91 -11.761 27.995 -4.851 1.00 70.14 C ATOM 699 O GLY A 91 -12.864 28.530 -4.967 1.00 63.12 O ATOM 0 H GLY A 91 -9.088 27.242 -3.594 1.00 72.04 H new ATOM 0 HA2 GLY A 91 -11.784 27.822 -2.719 1.00 53.12 H new ATOM 0 HA3 GLY A 91 -10.581 28.937 -3.336 1.00 53.12 H new ATOM 703 N ARG A 92 -11.127 27.416 -5.866 1.00 52.00 N ATOM 704 CA ARG A 92 -11.704 27.377 -7.204 1.00 61.54 C ATOM 705 C ARG A 92 -13.044 26.648 -7.198 1.00 34.44 C ATOM 706 O ARG A 92 -13.986 27.052 -7.880 1.00 2.12 O ATOM 707 CB ARG A 92 -10.743 26.690 -8.177 1.00 1.01 C ATOM 708 CG ARG A 92 -10.454 25.240 -7.825 1.00 63.24 C ATOM 709 CD ARG A 92 -9.380 24.652 -8.727 1.00 25.31 C ATOM 710 NE ARG A 92 -9.916 24.239 -10.021 1.00 14.41 N ATOM 711 CZ ARG A 92 -9.979 25.040 -11.079 1.00 63.54 C ATOM 712 NH1 ARG A 92 -9.539 26.288 -10.998 1.00 34.22 N ATOM 713 NH2 ARG A 92 -10.481 24.591 -12.223 1.00 2.21 N ATOM 0 H ARG A 92 -10.214 26.968 -5.787 1.00 52.00 H new ATOM 0 HA ARG A 92 -11.870 28.404 -7.530 1.00 61.54 H new ATOM 0 HB2 ARG A 92 -11.163 26.734 -9.182 1.00 1.01 H new ATOM 0 HB3 ARG A 92 -9.804 27.244 -8.199 1.00 1.01 H new ATOM 0 HG2 ARG A 92 -10.134 25.174 -6.785 1.00 63.24 H new ATOM 0 HG3 ARG A 92 -11.368 24.653 -7.915 1.00 63.24 H new ATOM 0 HD2 ARG A 92 -8.592 25.389 -8.880 1.00 25.31 H new ATOM 0 HD3 ARG A 92 -8.923 23.794 -8.234 1.00 25.31 H new ATOM 0 HE ARG A 92 -10.261 23.284 -10.118 1.00 14.41 H new ATOM 0 HH11 ARG A 92 -9.151 26.636 -10.121 1.00 34.22 H new ATOM 0 HH12 ARG A 92 -9.589 26.900 -11.812 1.00 34.22 H new ATOM 0 HH21 ARG A 92 -10.818 23.631 -12.290 1.00 2.21 H new ATOM 0 HH22 ARG A 92 -10.529 25.206 -13.035 1.00 2.21 H new ATOM 727 N SER A 93 -13.123 25.571 -6.422 1.00 64.44 N ATOM 728 CA SER A 93 -14.346 24.783 -6.330 1.00 70.40 C ATOM 729 C SER A 93 -15.544 25.674 -6.017 1.00 20.11 C ATOM 730 O SER A 93 -15.452 26.597 -5.208 1.00 4.23 O ATOM 731 CB SER A 93 -14.203 23.704 -5.254 1.00 51.31 C ATOM 732 OG SER A 93 -14.894 24.069 -4.072 1.00 5.24 O ATOM 0 H SER A 93 -12.354 25.225 -5.848 1.00 64.44 H new ATOM 0 HA SER A 93 -14.514 24.304 -7.295 1.00 70.40 H new ATOM 0 HB2 SER A 93 -14.592 22.758 -5.629 1.00 51.31 H new ATOM 0 HB3 SER A 93 -13.148 23.548 -5.029 1.00 51.31 H new ATOM 0 HG SER A 93 -15.679 23.493 -3.961 1.00 5.24 H new ATOM 738 N LYS A 94 -16.669 25.391 -6.664 1.00 73.42 N ATOM 739 CA LYS A 94 -17.888 26.164 -6.456 1.00 23.00 C ATOM 740 C LYS A 94 -18.839 25.436 -5.511 1.00 52.45 C ATOM 741 O LYS A 94 -19.690 26.056 -4.873 1.00 35.22 O ATOM 742 CB LYS A 94 -18.583 26.429 -7.793 1.00 71.33 C ATOM 743 CG LYS A 94 -17.693 27.113 -8.817 1.00 32.34 C ATOM 744 CD LYS A 94 -18.147 28.538 -9.086 1.00 62.43 C ATOM 745 CE LYS A 94 -17.479 29.110 -10.327 1.00 63.21 C ATOM 746 NZ LYS A 94 -16.000 29.195 -10.172 1.00 31.32 N ATOM 0 H LYS A 94 -16.762 24.631 -7.338 1.00 73.42 H new ATOM 0 HA LYS A 94 -17.612 27.116 -6.003 1.00 23.00 H new ATOM 0 HB2 LYS A 94 -18.934 25.483 -8.204 1.00 71.33 H new ATOM 0 HB3 LYS A 94 -19.464 27.047 -7.619 1.00 71.33 H new ATOM 0 HG2 LYS A 94 -16.663 27.119 -8.459 1.00 32.34 H new ATOM 0 HG3 LYS A 94 -17.704 26.545 -9.747 1.00 32.34 H new ATOM 0 HD2 LYS A 94 -19.230 28.559 -9.212 1.00 62.43 H new ATOM 0 HD3 LYS A 94 -17.914 29.164 -8.225 1.00 62.43 H new ATOM 0 HE2 LYS A 94 -17.719 28.487 -11.188 1.00 63.21 H new ATOM 0 HE3 LYS A 94 -17.880 30.103 -10.531 1.00 63.21 H new ATOM 0 HZ1 LYS A 94 -15.585 29.621 -11.025 1.00 31.32 H new ATOM 0 HZ2 LYS A 94 -15.771 29.783 -9.345 1.00 31.32 H new ATOM 0 HZ3 LYS A 94 -15.610 28.241 -10.037 1.00 31.32 H new ATOM 760 N CYS A 95 -18.688 24.119 -5.426 1.00 75.14 N ATOM 761 CA CYS A 95 -19.533 23.307 -4.559 1.00 72.52 C ATOM 762 C CYS A 95 -19.140 23.484 -3.096 1.00 23.35 C ATOM 763 O CYS A 95 -18.500 22.614 -2.504 1.00 61.24 O ATOM 764 CB CYS A 95 -19.432 21.831 -4.951 1.00 33.02 C ATOM 765 SG CYS A 95 -20.488 20.725 -3.961 1.00 11.04 S ATOM 0 H CYS A 95 -17.988 23.591 -5.947 1.00 75.14 H new ATOM 0 HA CYS A 95 -20.564 23.639 -4.683 1.00 72.52 H new ATOM 0 HB2 CYS A 95 -19.700 21.726 -6.002 1.00 33.02 H new ATOM 0 HB3 CYS A 95 -18.395 21.510 -4.852 1.00 33.02 H new ATOM 770 N ARG A 96 -19.527 24.616 -2.517 1.00 72.14 N ATOM 771 CA ARG A 96 -19.215 24.908 -1.124 1.00 24.04 C ATOM 772 C ARG A 96 -20.398 24.576 -0.220 1.00 32.12 C ATOM 773 O ARG A 96 -21.309 25.387 -0.049 1.00 65.31 O ATOM 774 CB ARG A 96 -18.833 26.381 -0.962 1.00 73.31 C ATOM 775 CG ARG A 96 -18.191 26.700 0.378 1.00 14.20 C ATOM 776 CD ARG A 96 -19.221 27.184 1.388 1.00 64.05 C ATOM 777 NE ARG A 96 -19.893 28.402 0.943 1.00 70.32 N ATOM 778 CZ ARG A 96 -20.748 29.086 1.695 1.00 72.51 C ATOM 779 NH1 ARG A 96 -21.033 28.673 2.922 1.00 14.13 N ATOM 780 NH2 ARG A 96 -21.320 30.185 1.220 1.00 62.34 N ATOM 0 H ARG A 96 -20.058 25.346 -2.992 1.00 72.14 H new ATOM 0 HA ARG A 96 -18.370 24.286 -0.830 1.00 24.04 H new ATOM 0 HB2 ARG A 96 -18.145 26.659 -1.760 1.00 73.31 H new ATOM 0 HB3 ARG A 96 -19.726 26.994 -1.083 1.00 73.31 H new ATOM 0 HG2 ARG A 96 -17.691 25.812 0.764 1.00 14.20 H new ATOM 0 HG3 ARG A 96 -17.425 27.464 0.243 1.00 14.20 H new ATOM 0 HD2 ARG A 96 -19.961 26.401 1.554 1.00 64.05 H new ATOM 0 HD3 ARG A 96 -18.732 27.368 2.345 1.00 64.05 H new ATOM 0 HE ARG A 96 -19.695 28.746 0.003 1.00 70.32 H new ATOM 0 HH11 ARG A 96 -20.595 27.828 3.290 1.00 14.13 H new ATOM 0 HH12 ARG A 96 -21.690 29.200 3.498 1.00 14.13 H new ATOM 0 HH21 ARG A 96 -21.103 30.506 0.276 1.00 62.34 H new ATOM 0 HH22 ARG A 96 -21.976 30.709 1.799 1.00 62.34 H new ATOM 794 N SER A 97 -20.379 23.378 0.356 1.00 4.13 N ATOM 795 CA SER A 97 -21.452 22.937 1.239 1.00 20.21 C ATOM 796 C SER A 97 -22.811 23.104 0.567 1.00 34.01 C ATOM 797 O SER A 97 -23.818 23.359 1.230 1.00 43.40 O ATOM 798 CB SER A 97 -21.418 23.724 2.551 1.00 74.14 C ATOM 799 OG SER A 97 -22.105 24.957 2.423 1.00 60.00 O ATOM 0 H SER A 97 -19.632 22.696 0.227 1.00 4.13 H new ATOM 0 HA SER A 97 -21.300 21.879 1.455 1.00 20.21 H new ATOM 0 HB2 SER A 97 -21.872 23.132 3.346 1.00 74.14 H new ATOM 0 HB3 SER A 97 -20.384 23.909 2.842 1.00 74.14 H new ATOM 0 HG SER A 97 -21.895 25.360 1.555 1.00 60.00 H new ATOM 805 N LEU A 98 -22.833 22.958 -0.753 1.00 54.11 N ATOM 806 CA LEU A 98 -24.069 23.093 -1.517 1.00 62.43 C ATOM 807 C LEU A 98 -24.847 21.781 -1.529 1.00 14.12 C ATOM 808 O LEU A 98 -26.072 21.773 -1.411 1.00 40.31 O ATOM 809 CB LEU A 98 -23.760 23.528 -2.951 1.00 11.33 C ATOM 810 CG LEU A 98 -23.267 24.965 -3.124 1.00 41.21 C ATOM 811 CD1 LEU A 98 -22.870 25.223 -4.569 1.00 62.44 C ATOM 812 CD2 LEU A 98 -24.335 25.953 -2.678 1.00 51.15 C ATOM 0 H LEU A 98 -22.010 22.746 -1.317 1.00 54.11 H new ATOM 0 HA LEU A 98 -24.683 23.855 -1.037 1.00 62.43 H new ATOM 0 HB2 LEU A 98 -23.006 22.855 -3.359 1.00 11.33 H new ATOM 0 HB3 LEU A 98 -24.661 23.399 -3.551 1.00 11.33 H new ATOM 0 HG LEU A 98 -22.387 25.104 -2.496 1.00 41.21 H new ATOM 0 HD11 LEU A 98 -22.522 26.251 -4.673 1.00 62.44 H new ATOM 0 HD12 LEU A 98 -22.071 24.539 -4.855 1.00 62.44 H new ATOM 0 HD13 LEU A 98 -23.732 25.065 -5.217 1.00 62.44 H new ATOM 0 HD21 LEU A 98 -23.967 26.971 -2.808 1.00 51.15 H new ATOM 0 HD22 LEU A 98 -25.234 25.813 -3.279 1.00 51.15 H new ATOM 0 HD23 LEU A 98 -24.571 25.784 -1.627 1.00 51.15 H new ATOM 824 N GLY A 99 -24.127 20.672 -1.669 1.00 52.24 N ATOM 825 CA GLY A 99 -24.767 19.370 -1.691 1.00 71.24 C ATOM 826 C GLY A 99 -25.281 19.000 -3.068 1.00 71.55 C ATOM 827 O GLY A 99 -26.146 18.134 -3.203 1.00 71.04 O ATOM 0 H GLY A 99 -23.112 20.652 -1.768 1.00 52.24 H new ATOM 0 HA2 GLY A 99 -24.057 18.614 -1.356 1.00 71.24 H new ATOM 0 HA3 GLY A 99 -25.596 19.364 -0.983 1.00 71.24 H new ATOM 831 N ARG A 100 -24.749 19.657 -4.093 1.00 51.25 N ATOM 832 CA ARG A 100 -25.162 19.394 -5.467 1.00 4.31 C ATOM 833 C ARG A 100 -24.224 18.393 -6.134 1.00 64.40 C ATOM 834 O ARG A 100 -23.282 18.777 -6.828 1.00 61.33 O ATOM 835 CB ARG A 100 -25.191 20.695 -6.271 1.00 52.30 C ATOM 836 CG ARG A 100 -26.409 21.559 -5.987 1.00 53.14 C ATOM 837 CD ARG A 100 -26.786 22.404 -7.194 1.00 51.22 C ATOM 838 NE ARG A 100 -28.188 22.811 -7.161 1.00 53.11 N ATOM 839 CZ ARG A 100 -29.202 21.971 -7.342 1.00 3.42 C ATOM 840 NH1 ARG A 100 -28.969 20.686 -7.567 1.00 34.43 N ATOM 841 NH2 ARG A 100 -30.451 22.417 -7.297 1.00 44.51 N ATOM 0 H ARG A 100 -24.031 20.375 -3.999 1.00 51.25 H new ATOM 0 HA ARG A 100 -26.165 18.967 -5.443 1.00 4.31 H new ATOM 0 HB2 ARG A 100 -24.290 21.268 -6.051 1.00 52.30 H new ATOM 0 HB3 ARG A 100 -25.165 20.456 -7.334 1.00 52.30 H new ATOM 0 HG2 ARG A 100 -27.250 20.924 -5.709 1.00 53.14 H new ATOM 0 HG3 ARG A 100 -26.205 22.209 -5.136 1.00 53.14 H new ATOM 0 HD2 ARG A 100 -26.152 23.290 -7.228 1.00 51.22 H new ATOM 0 HD3 ARG A 100 -26.594 21.839 -8.106 1.00 51.22 H new ATOM 0 HE ARG A 100 -28.401 23.794 -6.990 1.00 53.11 H new ATOM 0 HH11 ARG A 100 -28.010 20.340 -7.602 1.00 34.43 H new ATOM 0 HH12 ARG A 100 -29.749 20.043 -7.706 1.00 34.43 H new ATOM 0 HH21 ARG A 100 -30.634 23.405 -7.123 1.00 44.51 H new ATOM 0 HH22 ARG A 100 -31.228 21.771 -7.436 1.00 44.51 H new ATOM 855 N ILE A 101 -24.487 17.108 -5.918 1.00 53.40 N ATOM 856 CA ILE A 101 -23.667 16.053 -6.499 1.00 32.53 C ATOM 857 C ILE A 101 -24.482 15.185 -7.452 1.00 40.22 C ATOM 858 O ILE A 101 -24.151 14.023 -7.689 1.00 42.45 O ATOM 859 CB ILE A 101 -23.049 15.157 -5.409 1.00 62.42 C ATOM 860 CG1 ILE A 101 -22.594 16.004 -4.219 1.00 33.31 C ATOM 861 CG2 ILE A 101 -21.882 14.361 -5.977 1.00 14.45 C ATOM 862 CD1 ILE A 101 -21.945 15.197 -3.116 1.00 43.23 C ATOM 0 H ILE A 101 -25.262 16.773 -5.345 1.00 53.40 H new ATOM 0 HA ILE A 101 -22.867 16.544 -7.053 1.00 32.53 H new ATOM 0 HB ILE A 101 -23.808 14.456 -5.062 1.00 62.42 H new ATOM 0 HG12 ILE A 101 -21.890 16.759 -4.569 1.00 33.31 H new ATOM 0 HG13 ILE A 101 -23.454 16.535 -3.812 1.00 33.31 H new ATOM 0 HG21 ILE A 101 -21.455 13.733 -5.195 1.00 14.45 H new ATOM 0 HG22 ILE A 101 -22.234 13.733 -6.796 1.00 14.45 H new ATOM 0 HG23 ILE A 101 -21.120 15.047 -6.347 1.00 14.45 H new ATOM 0 HD11 ILE A 101 -21.648 15.862 -2.305 1.00 43.23 H new ATOM 0 HD12 ILE A 101 -22.654 14.460 -2.739 1.00 43.23 H new ATOM 0 HD13 ILE A 101 -21.065 14.687 -3.508 1.00 43.23 H new ATOM 874 N LYS A 102 -25.549 15.758 -7.999 1.00 32.05 N ATOM 875 CA LYS A 102 -26.411 15.040 -8.930 1.00 32.34 C ATOM 876 C LYS A 102 -25.874 15.136 -10.354 1.00 5.12 C ATOM 877 O LYS A 102 -25.453 14.137 -10.938 1.00 5.23 O ATOM 878 CB LYS A 102 -27.835 15.597 -8.872 1.00 13.10 C ATOM 879 CG LYS A 102 -27.966 16.993 -9.456 1.00 72.15 C ATOM 880 CD LYS A 102 -29.397 17.498 -9.380 1.00 34.35 C ATOM 881 CE LYS A 102 -29.617 18.691 -10.296 1.00 54.41 C ATOM 882 NZ LYS A 102 -31.011 19.208 -10.209 1.00 13.21 N ATOM 0 H LYS A 102 -25.837 16.719 -7.813 1.00 32.05 H new ATOM 0 HA LYS A 102 -26.426 13.990 -8.636 1.00 32.34 H new ATOM 0 HB2 LYS A 102 -28.502 14.923 -9.410 1.00 13.10 H new ATOM 0 HB3 LYS A 102 -28.168 15.614 -7.834 1.00 13.10 H new ATOM 0 HG2 LYS A 102 -27.309 17.676 -8.918 1.00 72.15 H new ATOM 0 HG3 LYS A 102 -27.637 16.986 -10.495 1.00 72.15 H new ATOM 0 HD2 LYS A 102 -30.082 16.696 -9.655 1.00 34.35 H new ATOM 0 HD3 LYS A 102 -29.631 17.779 -8.353 1.00 34.35 H new ATOM 0 HE2 LYS A 102 -28.918 19.485 -10.032 1.00 54.41 H new ATOM 0 HE3 LYS A 102 -29.400 18.404 -11.325 1.00 54.41 H new ATOM 0 HZ1 LYS A 102 -31.120 20.021 -10.848 1.00 13.21 H new ATOM 0 HZ2 LYS A 102 -31.677 18.458 -10.485 1.00 13.21 H new ATOM 0 HZ3 LYS A 102 -31.210 19.506 -9.233 1.00 13.21 H new TER 896 LYS A 102