USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 839 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: X 64 GLN : amide:sc= -5.77! C(o=-9.2!,f=-12!) USER MOD Set 1.2: X 68 ASN : amide:sc= -3.41! K(o=-9.2!,f=-8) USER MOD Set 2.1: X 8 HIS : no HD1:sc= -1.25! C(o=-2.4!,f=-6.6!) USER MOD Set 2.2: X 39 LYS NZ :NH3+ 142:sc= -1.19! (180deg=-0.00464) USER MOD Single : X 1 MET CE :methyl 152:sc= -0.224 (180deg=-1.42!) USER MOD Single : X 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 3 GLN : amide:sc= -0.0306 K(o=-0.031,f=-2!) USER MOD Single : X 6 SER OG : rot 180:sc= -0.401 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.0725 K(o=-0.073,f=-2.8!) USER MOD Single : X 16 LYS NZ :NH3+ 166:sc= -1.7! (180deg=-3.06!) USER MOD Single : X 17 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.3) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 69:sc= -1.11 USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : X 42 CYS SG : rot 72:sc= -6.46! USER MOD Single : X 47 GLN : amide:sc= -4.54! C(o=-4.5!,f=-4.4!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 180:sc= 0 USER MOD Single : X 66 TYR OH : rot 40:sc= 0.717 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 69 THR OG1 : rot 87:sc= 1.1 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot -66:sc= 0.721 USER MOD Single : X 82 TYR OH : rot -84:sc= 1.25 USER MOD Single : X 84 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.8!) USER MOD Single : X 87 LYS NZ :NH3+ 168:sc= 0.722 (180deg=0.642) USER MOD Single : X 92 LYS NZ :NH3+ -168:sc= -0.0034 (180deg=-0.185) USER MOD Single : X 93 LYS NZ :NH3+ -164:sc= -0.0255 (180deg=-0.296) USER MOD Single : X 96 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.2) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : X 100 MET CE :methyl -125:sc= -0.0132 (180deg=-0.355) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 67.169 3.376 -3.180 1.00 1.00 N ATOM 2 CA MET X 1 66.499 3.624 -1.873 1.00 1.00 C ATOM 3 C MET X 1 64.989 3.517 -2.053 1.00 1.00 C ATOM 4 O MET X 1 64.338 4.464 -2.494 1.00 1.00 O ATOM 5 CB MET X 1 66.866 5.022 -1.374 1.00 1.00 C ATOM 6 CG MET X 1 66.249 5.257 0.007 1.00 1.00 C ATOM 7 SD MET X 1 66.718 6.903 0.600 1.00 1.00 S ATOM 8 CE MET X 1 65.823 7.866 -0.647 1.00 1.00 C ATOM 0 H1 MET X 1 68.200 3.448 -3.061 1.00 1.00 H new ATOM 0 H2 MET X 1 66.926 2.424 -3.520 1.00 1.00 H new ATOM 0 H3 MET X 1 66.850 4.083 -3.873 1.00 1.00 H new ATOM 0 HA MET X 1 66.827 2.884 -1.143 1.00 1.00 H new ATOM 0 HB2 MET X 1 67.950 5.127 -1.321 1.00 1.00 H new ATOM 0 HB3 MET X 1 66.507 5.775 -2.076 1.00 1.00 H new ATOM 0 HG2 MET X 1 65.164 5.173 -0.048 1.00 1.00 H new ATOM 0 HG3 MET X 1 66.593 4.494 0.706 1.00 1.00 H new ATOM 0 HE1 MET X 1 65.550 8.836 -0.231 1.00 1.00 H new ATOM 0 HE2 MET X 1 66.459 8.012 -1.520 1.00 1.00 H new ATOM 0 HE3 MET X 1 64.920 7.330 -0.941 1.00 1.00 H new ATOM 20 N GLY X 2 64.437 2.358 -1.709 1.00 1.00 N ATOM 21 CA GLY X 2 63.002 2.138 -1.837 1.00 1.00 C ATOM 22 C GLY X 2 62.656 1.562 -3.205 1.00 1.00 C ATOM 23 O GLY X 2 61.484 1.394 -3.538 1.00 1.00 O ATOM 0 H GLY X 2 64.958 1.562 -1.342 1.00 1.00 H new ATOM 0 HA2 GLY X 2 62.664 1.457 -1.056 1.00 1.00 H new ATOM 0 HA3 GLY X 2 62.472 3.079 -1.690 1.00 1.00 H new ATOM 27 N GLN X 3 63.684 1.259 -3.991 1.00 1.00 N ATOM 28 CA GLN X 3 63.470 0.697 -5.319 1.00 1.00 C ATOM 29 C GLN X 3 64.482 -0.409 -5.598 1.00 1.00 C ATOM 30 O GLN X 3 65.605 -0.377 -5.092 1.00 1.00 O ATOM 31 CB GLN X 3 63.583 1.800 -6.375 1.00 1.00 C ATOM 32 CG GLN X 3 63.293 1.219 -7.760 1.00 1.00 C ATOM 33 CD GLN X 3 63.144 2.348 -8.775 1.00 1.00 C ATOM 34 OE1 GLN X 3 62.928 3.498 -8.394 1.00 1.00 O ATOM 35 NE2 GLN X 3 63.225 2.086 -10.051 1.00 1.00 N ATOM 0 H GLN X 3 64.663 1.391 -3.735 1.00 1.00 H new ATOM 0 HA GLN X 3 62.470 0.266 -5.362 1.00 1.00 H new ATOM 0 HB2 GLN X 3 62.881 2.603 -6.153 1.00 1.00 H new ATOM 0 HB3 GLN X 3 64.582 2.236 -6.355 1.00 1.00 H new ATOM 0 HG2 GLN X 3 64.101 0.552 -8.061 1.00 1.00 H new ATOM 0 HG3 GLN X 3 62.381 0.622 -7.730 1.00 1.00 H new ATOM 0 HE21 GLN X 3 63.404 1.132 -10.365 1.00 1.00 H new ATOM 0 HE22 GLN X 3 63.109 2.835 -10.734 1.00 1.00 H new ATOM 44 N GLU X 4 64.075 -1.393 -6.395 1.00 1.00 N ATOM 45 CA GLU X 4 64.952 -2.511 -6.723 1.00 1.00 C ATOM 46 C GLU X 4 66.158 -2.038 -7.528 1.00 1.00 C ATOM 47 O GLU X 4 67.284 -2.474 -7.286 1.00 1.00 O ATOM 48 CB GLU X 4 64.180 -3.562 -7.530 1.00 1.00 C ATOM 49 CG GLU X 4 65.082 -4.768 -7.810 1.00 1.00 C ATOM 50 CD GLU X 4 64.305 -5.840 -8.566 1.00 1.00 C ATOM 51 OE1 GLU X 4 63.087 -5.783 -8.556 1.00 1.00 O ATOM 52 OE2 GLU X 4 64.942 -6.705 -9.145 1.00 1.00 O ATOM 0 H GLU X 4 63.150 -1.439 -6.823 1.00 1.00 H new ATOM 0 HA GLU X 4 65.305 -2.951 -5.791 1.00 1.00 H new ATOM 0 HB2 GLU X 4 63.295 -3.879 -6.979 1.00 1.00 H new ATOM 0 HB3 GLU X 4 63.833 -3.130 -8.469 1.00 1.00 H new ATOM 0 HG2 GLU X 4 65.948 -4.456 -8.394 1.00 1.00 H new ATOM 0 HG3 GLU X 4 65.459 -5.175 -6.872 1.00 1.00 H new ATOM 59 N LEU X 5 65.914 -1.152 -8.490 1.00 1.00 N ATOM 60 CA LEU X 5 66.988 -0.634 -9.333 1.00 1.00 C ATOM 61 C LEU X 5 67.269 0.828 -9.002 1.00 1.00 C ATOM 62 O LEU X 5 66.352 1.646 -8.916 1.00 1.00 O ATOM 63 CB LEU X 5 66.604 -0.758 -10.810 1.00 1.00 C ATOM 64 CG LEU X 5 67.812 -0.420 -11.695 1.00 1.00 C ATOM 65 CD1 LEU X 5 68.918 -1.467 -11.510 1.00 1.00 C ATOM 66 CD2 LEU X 5 67.376 -0.404 -13.161 1.00 1.00 C ATOM 0 H LEU X 5 64.989 -0.780 -8.704 1.00 1.00 H new ATOM 0 HA LEU X 5 67.887 -1.220 -9.142 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.260 -1.770 -11.021 1.00 1.00 H new ATOM 0 HB3 LEU X 5 65.777 -0.086 -11.037 1.00 1.00 H new ATOM 0 HG LEU X 5 68.197 0.559 -11.408 1.00 1.00 H new ATOM 0 HD11 LEU X 5 69.768 -1.214 -12.144 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.235 -1.481 -10.467 1.00 1.00 H new ATOM 0 HD13 LEU X 5 68.538 -2.450 -11.788 1.00 1.00 H new ATOM 0 HD21 LEU X 5 68.232 -0.164 -13.792 1.00 1.00 H new ATOM 0 HD22 LEU X 5 66.986 -1.384 -13.435 1.00 1.00 H new ATOM 0 HD23 LEU X 5 66.599 0.348 -13.301 1.00 1.00 H new ATOM 78 N SER X 6 68.546 1.147 -8.816 1.00 1.00 N ATOM 79 CA SER X 6 68.948 2.511 -8.493 1.00 1.00 C ATOM 80 C SER X 6 70.338 2.808 -9.051 1.00 1.00 C ATOM 81 O SER X 6 71.063 1.900 -9.453 1.00 1.00 O ATOM 82 CB SER X 6 68.949 2.712 -6.980 1.00 1.00 C ATOM 83 OG SER X 6 69.681 1.658 -6.370 1.00 1.00 O ATOM 0 H SER X 6 69.317 0.483 -8.883 1.00 1.00 H new ATOM 0 HA SER X 6 68.233 3.197 -8.948 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.396 3.674 -6.729 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.927 2.727 -6.602 1.00 1.00 H new ATOM 0 HG SER X 6 69.686 1.783 -5.398 1.00 1.00 H new ATOM 89 N GLN X 7 70.695 4.088 -9.075 1.00 1.00 N ATOM 90 CA GLN X 7 71.996 4.504 -9.589 1.00 1.00 C ATOM 91 C GLN X 7 73.125 4.009 -8.689 1.00 1.00 C ATOM 92 O GLN X 7 74.228 3.728 -9.160 1.00 1.00 O ATOM 93 CB GLN X 7 72.058 6.030 -9.682 1.00 1.00 C ATOM 94 CG GLN X 7 71.057 6.518 -10.729 1.00 1.00 C ATOM 95 CD GLN X 7 71.102 8.040 -10.821 1.00 1.00 C ATOM 96 OE1 GLN X 7 70.904 8.732 -9.822 1.00 1.00 O ATOM 97 NE2 GLN X 7 71.350 8.606 -11.971 1.00 1.00 N ATOM 0 H GLN X 7 70.105 4.852 -8.746 1.00 1.00 H new ATOM 0 HA GLN X 7 72.121 4.068 -10.580 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.832 6.474 -8.712 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.065 6.348 -9.951 1.00 1.00 H new ATOM 0 HG2 GLN X 7 71.290 6.079 -11.699 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.052 6.191 -10.464 1.00 1.00 H new ATOM 0 HE21 GLN X 7 71.514 8.031 -12.798 1.00 1.00 H new ATOM 0 HE22 GLN X 7 71.380 9.623 -12.043 1.00 1.00 H new ATOM 106 N HIS X 8 72.848 3.913 -7.394 1.00 1.00 N ATOM 107 CA HIS X 8 73.853 3.462 -6.438 1.00 1.00 C ATOM 108 C HIS X 8 74.218 2.006 -6.695 1.00 1.00 C ATOM 109 O HIS X 8 75.381 1.617 -6.589 1.00 1.00 O ATOM 110 CB HIS X 8 73.329 3.618 -5.008 1.00 1.00 C ATOM 111 CG HIS X 8 73.301 5.076 -4.641 1.00 1.00 C ATOM 112 ND1 HIS X 8 73.040 5.508 -3.350 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.493 6.215 -5.384 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.083 6.852 -3.354 1.00 1.00 C ATOM 115 NE2 HIS X 8 73.356 7.335 -4.569 1.00 1.00 N ATOM 0 H HIS X 8 71.942 4.140 -6.983 1.00 1.00 H new ATOM 0 HA HIS X 8 74.745 4.076 -6.562 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.329 3.192 -4.927 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.966 3.069 -4.314 1.00 1.00 H new ATOM 0 HD2 HIS X 8 73.716 6.238 -6.440 1.00 1.00 H new ATOM 0 HE1 HIS X 8 72.917 7.466 -2.481 1.00 1.00 H new ATOM 0 HE2 HIS X 8 73.445 8.314 -4.841 1.00 1.00 H new ATOM 123 N GLU X 9 73.216 1.206 -7.037 1.00 1.00 N ATOM 124 CA GLU X 9 73.444 -0.206 -7.311 1.00 1.00 C ATOM 125 C GLU X 9 74.334 -0.377 -8.541 1.00 1.00 C ATOM 126 O GLU X 9 75.205 -1.244 -8.572 1.00 1.00 O ATOM 127 CB GLU X 9 72.104 -0.907 -7.532 1.00 1.00 C ATOM 128 CG GLU X 9 71.339 -0.985 -6.210 1.00 1.00 C ATOM 129 CD GLU X 9 69.952 -1.569 -6.450 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.662 -1.900 -7.587 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.201 -1.681 -5.495 1.00 1.00 O ATOM 0 H GLU X 9 72.246 1.508 -7.131 1.00 1.00 H new ATOM 0 HA GLU X 9 73.950 -0.654 -6.456 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.516 -0.364 -8.272 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.268 -1.909 -7.928 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.886 -1.604 -5.499 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.254 0.008 -5.769 1.00 1.00 H new ATOM 138 N ARG X 10 74.107 0.457 -9.550 1.00 1.00 N ATOM 139 CA ARG X 10 74.889 0.391 -10.777 1.00 1.00 C ATOM 140 C ARG X 10 76.363 0.672 -10.492 1.00 1.00 C ATOM 141 O ARG X 10 77.249 0.023 -11.052 1.00 1.00 O ATOM 142 CB ARG X 10 74.356 1.428 -11.767 1.00 1.00 C ATOM 143 CG ARG X 10 72.958 1.014 -12.226 1.00 1.00 C ATOM 144 CD ARG X 10 72.406 2.059 -13.196 1.00 1.00 C ATOM 145 NE ARG X 10 71.060 1.694 -13.626 1.00 1.00 N ATOM 146 CZ ARG X 10 70.859 0.897 -14.670 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.878 0.421 -15.332 1.00 1.00 N ATOM 148 NH2 ARG X 10 69.644 0.589 -15.032 1.00 1.00 N ATOM 0 H ARG X 10 73.391 1.183 -9.542 1.00 1.00 H new ATOM 0 HA ARG X 10 74.801 -0.610 -11.198 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.321 2.411 -11.298 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.025 1.507 -12.624 1.00 1.00 H new ATOM 0 HG2 ARG X 10 72.997 0.038 -12.711 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.296 0.916 -11.366 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.388 3.037 -12.715 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.062 2.142 -14.063 1.00 1.00 H new ATOM 0 HE ARG X 10 70.256 2.058 -13.114 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.828 0.661 -15.048 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.725 -0.191 -16.134 1.00 1.00 H new ATOM 0 HH21 ARG X 10 68.848 0.960 -14.514 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.490 -0.023 -15.834 1.00 1.00 H new ATOM 162 N TYR X 11 76.617 1.643 -9.621 1.00 1.00 N ATOM 163 CA TYR X 11 77.985 2.006 -9.268 1.00 1.00 C ATOM 164 C TYR X 11 78.707 0.814 -8.646 1.00 1.00 C ATOM 165 O TYR X 11 79.859 0.527 -8.979 1.00 1.00 O ATOM 166 CB TYR X 11 77.976 3.182 -8.286 1.00 1.00 C ATOM 167 CG TYR X 11 79.394 3.519 -7.888 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.211 4.238 -8.768 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.893 3.110 -6.645 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.527 4.548 -8.406 1.00 1.00 C ATOM 171 CE2 TYR X 11 81.209 3.420 -6.283 1.00 1.00 C ATOM 172 CZ TYR X 11 82.026 4.139 -7.163 1.00 1.00 C ATOM 173 OH TYR X 11 83.323 4.446 -6.805 1.00 1.00 O ATOM 0 H TYR X 11 75.898 2.190 -9.149 1.00 1.00 H new ATOM 0 HA TYR X 11 78.514 2.301 -10.174 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.500 4.049 -8.745 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.390 2.927 -7.403 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.826 4.554 -9.726 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.262 2.555 -5.966 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.158 5.103 -9.085 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.594 3.104 -5.325 1.00 1.00 H new ATOM 0 HH TYR X 11 83.509 4.089 -5.911 1.00 1.00 H new ATOM 183 N VAL X 12 78.021 0.119 -7.748 1.00 1.00 N ATOM 184 CA VAL X 12 78.604 -1.044 -7.095 1.00 1.00 C ATOM 185 C VAL X 12 78.935 -2.120 -8.112 1.00 1.00 C ATOM 186 O VAL X 12 80.033 -2.669 -8.112 1.00 1.00 O ATOM 187 CB VAL X 12 77.625 -1.598 -6.068 1.00 1.00 C ATOM 188 CG1 VAL X 12 78.026 -3.017 -5.709 1.00 1.00 C ATOM 189 CG2 VAL X 12 77.690 -0.750 -4.809 1.00 1.00 C ATOM 0 H VAL X 12 77.068 0.338 -7.457 1.00 1.00 H new ATOM 0 HA VAL X 12 79.525 -0.738 -6.599 1.00 1.00 H new ATOM 0 HB VAL X 12 76.617 -1.584 -6.483 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.328 -3.417 -4.974 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.006 -3.638 -6.604 1.00 1.00 H new ATOM 0 HG13 VAL X 12 79.032 -3.016 -5.290 1.00 1.00 H new ATOM 0 HG21 VAL X 12 76.991 -1.142 -4.070 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.701 -0.778 -4.403 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.424 0.279 -5.050 1.00 1.00 H new ATOM 199 N GLU X 13 77.984 -2.412 -8.985 1.00 1.00 N ATOM 200 CA GLU X 13 78.200 -3.421 -10.010 1.00 1.00 C ATOM 201 C GLU X 13 79.512 -3.173 -10.741 1.00 1.00 C ATOM 202 O GLU X 13 80.231 -4.114 -11.072 1.00 1.00 O ATOM 203 CB GLU X 13 77.052 -3.396 -11.017 1.00 1.00 C ATOM 204 CG GLU X 13 75.783 -3.927 -10.353 1.00 1.00 C ATOM 205 CD GLU X 13 74.590 -3.755 -11.288 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.785 -3.247 -12.380 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.498 -4.129 -10.896 1.00 1.00 O ATOM 0 H GLU X 13 77.065 -1.970 -9.005 1.00 1.00 H new ATOM 0 HA GLU X 13 78.243 -4.396 -9.524 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.890 -2.379 -11.375 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.303 -4.004 -11.886 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.909 -4.980 -10.101 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.602 -3.395 -9.419 1.00 1.00 H new ATOM 214 N GLN X 14 79.823 -1.905 -10.993 1.00 1.00 N ATOM 215 CA GLN X 14 81.059 -1.577 -11.692 1.00 1.00 C ATOM 216 C GLN X 14 82.264 -2.009 -10.878 1.00 1.00 C ATOM 217 O GLN X 14 83.173 -2.654 -11.399 1.00 1.00 O ATOM 218 CB GLN X 14 81.147 -0.075 -11.959 1.00 1.00 C ATOM 219 CG GLN X 14 80.084 0.326 -12.979 1.00 1.00 C ATOM 220 CD GLN X 14 80.105 1.835 -13.197 1.00 1.00 C ATOM 221 OE1 GLN X 14 79.752 2.602 -12.301 1.00 1.00 O ATOM 222 NE2 GLN X 14 80.510 2.309 -14.344 1.00 1.00 N ATOM 0 H GLN X 14 79.249 -1.104 -10.730 1.00 1.00 H new ATOM 0 HA GLN X 14 81.055 -2.111 -12.642 1.00 1.00 H new ATOM 0 HB2 GLN X 14 81.003 0.479 -11.031 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.139 0.181 -12.332 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.264 -0.188 -13.923 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.099 0.015 -12.630 1.00 1.00 H new ATOM 0 HE21 GLN X 14 80.802 1.672 -15.085 1.00 1.00 H new ATOM 0 HE22 GLN X 14 80.534 3.317 -14.499 1.00 1.00 H new ATOM 231 N LEU X 15 82.269 -1.663 -9.598 1.00 1.00 N ATOM 232 CA LEU X 15 83.384 -2.044 -8.743 1.00 1.00 C ATOM 233 C LEU X 15 83.442 -3.551 -8.615 1.00 1.00 C ATOM 234 O LEU X 15 84.506 -4.138 -8.639 1.00 1.00 O ATOM 235 CB LEU X 15 83.260 -1.431 -7.356 1.00 1.00 C ATOM 236 CG LEU X 15 83.470 0.083 -7.436 1.00 1.00 C ATOM 237 CD1 LEU X 15 83.169 0.691 -6.074 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.923 0.408 -7.813 1.00 1.00 C ATOM 0 H LEU X 15 81.531 -1.131 -9.137 1.00 1.00 H new ATOM 0 HA LEU X 15 84.298 -1.670 -9.205 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.277 -1.649 -6.939 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.996 -1.874 -6.686 1.00 1.00 H new ATOM 0 HG LEU X 15 82.807 0.493 -8.198 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.315 1.770 -6.117 1.00 1.00 H new ATOM 0 HD12 LEU X 15 82.137 0.475 -5.799 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.840 0.264 -5.329 1.00 1.00 H new ATOM 0 HD21 LEU X 15 85.052 1.489 -7.865 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.595 -0.002 -7.059 1.00 1.00 H new ATOM 0 HD23 LEU X 15 85.154 -0.032 -8.783 1.00 1.00 H new ATOM 250 N LYS X 16 82.290 -4.179 -8.475 1.00 1.00 N ATOM 251 CA LYS X 16 82.260 -5.623 -8.342 1.00 1.00 C ATOM 252 C LYS X 16 83.009 -6.286 -9.486 1.00 1.00 C ATOM 253 O LYS X 16 83.725 -7.261 -9.276 1.00 1.00 O ATOM 254 CB LYS X 16 80.817 -6.101 -8.325 1.00 1.00 C ATOM 255 CG LYS X 16 80.302 -6.093 -6.896 1.00 1.00 C ATOM 256 CD LYS X 16 78.815 -6.418 -6.912 1.00 1.00 C ATOM 257 CE LYS X 16 78.267 -6.340 -5.491 1.00 1.00 C ATOM 258 NZ LYS X 16 76.787 -6.482 -5.523 1.00 1.00 N ATOM 0 H LYS X 16 81.378 -3.722 -8.451 1.00 1.00 H new ATOM 0 HA LYS X 16 82.749 -5.898 -7.407 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.200 -5.455 -8.949 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.750 -7.106 -8.742 1.00 1.00 H new ATOM 0 HG2 LYS X 16 80.842 -6.825 -6.295 1.00 1.00 H new ATOM 0 HG3 LYS X 16 80.471 -5.118 -6.439 1.00 1.00 H new ATOM 0 HD2 LYS X 16 78.285 -5.718 -7.557 1.00 1.00 H new ATOM 0 HD3 LYS X 16 78.653 -7.415 -7.322 1.00 1.00 H new ATOM 0 HE2 LYS X 16 78.705 -7.127 -4.877 1.00 1.00 H new ATOM 0 HE3 LYS X 16 78.542 -5.389 -5.035 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 76.435 -6.667 -4.562 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 76.362 -5.605 -5.885 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 76.528 -7.274 -6.145 1.00 1.00 H new ATOM 272 N GLN X 17 82.844 -5.764 -10.695 1.00 1.00 N ATOM 273 CA GLN X 17 83.526 -6.344 -11.844 1.00 1.00 C ATOM 274 C GLN X 17 85.035 -6.096 -11.780 1.00 1.00 C ATOM 275 O GLN X 17 85.836 -7.026 -11.902 1.00 1.00 O ATOM 276 CB GLN X 17 82.962 -5.754 -13.136 1.00 1.00 C ATOM 277 CG GLN X 17 81.498 -6.170 -13.285 1.00 1.00 C ATOM 278 CD GLN X 17 81.394 -7.675 -13.517 1.00 1.00 C ATOM 279 OE1 GLN X 17 81.993 -8.206 -14.453 1.00 1.00 O ATOM 280 NE2 GLN X 17 80.668 -8.397 -12.709 1.00 1.00 N ATOM 0 H GLN X 17 82.256 -4.957 -10.903 1.00 1.00 H new ATOM 0 HA GLN X 17 83.357 -7.421 -11.827 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.043 -4.667 -13.119 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.540 -6.103 -13.992 1.00 1.00 H new ATOM 0 HG2 GLN X 17 80.942 -5.894 -12.389 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.044 -5.635 -14.119 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.173 -7.954 -11.935 1.00 1.00 H new ATOM 0 HE22 GLN X 17 80.595 -9.404 -12.851 1.00 1.00 H new ATOM 289 N ALA X 18 85.416 -4.834 -11.596 1.00 1.00 N ATOM 290 CA ALA X 18 86.828 -4.472 -11.529 1.00 1.00 C ATOM 291 C ALA X 18 87.503 -5.131 -10.326 1.00 1.00 C ATOM 292 O ALA X 18 88.612 -5.634 -10.431 1.00 1.00 O ATOM 293 CB ALA X 18 86.963 -2.953 -11.429 1.00 1.00 C ATOM 0 H ALA X 18 84.771 -4.051 -11.491 1.00 1.00 H new ATOM 0 HA ALA X 18 87.320 -4.826 -12.435 1.00 1.00 H new ATOM 0 HB1 ALA X 18 88.018 -2.684 -11.379 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.511 -2.489 -12.306 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.456 -2.601 -10.531 1.00 1.00 H new ATOM 299 N LEU X 19 86.815 -5.121 -9.194 1.00 1.00 N ATOM 300 CA LEU X 19 87.330 -5.713 -7.967 1.00 1.00 C ATOM 301 C LEU X 19 87.571 -7.206 -8.148 1.00 1.00 C ATOM 302 O LEU X 19 88.566 -7.742 -7.662 1.00 1.00 O ATOM 303 CB LEU X 19 86.345 -5.473 -6.804 1.00 1.00 C ATOM 304 CG LEU X 19 86.345 -3.998 -6.365 1.00 1.00 C ATOM 305 CD1 LEU X 19 85.231 -3.786 -5.338 1.00 1.00 C ATOM 306 CD2 LEU X 19 87.671 -3.621 -5.707 1.00 1.00 C ATOM 0 H LEU X 19 85.889 -4.705 -9.099 1.00 1.00 H new ATOM 0 HA LEU X 19 88.281 -5.236 -7.730 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.340 -5.763 -7.110 1.00 1.00 H new ATOM 0 HB3 LEU X 19 86.616 -6.106 -5.959 1.00 1.00 H new ATOM 0 HG LEU X 19 86.194 -3.378 -7.249 1.00 1.00 H new ATOM 0 HD11 LEU X 19 85.223 -2.743 -5.020 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.270 -4.036 -5.787 1.00 1.00 H new ATOM 0 HD13 LEU X 19 85.406 -4.427 -4.474 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.643 -2.574 -5.407 1.00 1.00 H new ATOM 0 HD22 LEU X 19 87.832 -4.246 -4.829 1.00 1.00 H new ATOM 0 HD23 LEU X 19 88.485 -3.774 -6.415 1.00 1.00 H new ATOM 318 N LYS X 20 86.675 -7.876 -8.860 1.00 1.00 N ATOM 319 CA LYS X 20 86.839 -9.305 -9.094 1.00 1.00 C ATOM 320 C LYS X 20 88.159 -9.563 -9.810 1.00 1.00 C ATOM 321 O LYS X 20 88.879 -10.503 -9.482 1.00 1.00 O ATOM 322 CB LYS X 20 85.684 -9.834 -9.936 1.00 1.00 C ATOM 323 CG LYS X 20 84.521 -10.216 -9.024 1.00 1.00 C ATOM 324 CD LYS X 20 83.324 -10.625 -9.879 1.00 1.00 C ATOM 325 CE LYS X 20 82.150 -10.990 -8.973 1.00 1.00 C ATOM 326 NZ LYS X 20 80.971 -11.348 -9.812 1.00 1.00 N ATOM 0 H LYS X 20 85.842 -7.463 -9.279 1.00 1.00 H new ATOM 0 HA LYS X 20 86.844 -9.822 -8.134 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.365 -9.076 -10.652 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.008 -10.701 -10.513 1.00 1.00 H new ATOM 0 HG2 LYS X 20 84.812 -11.037 -8.369 1.00 1.00 H new ATOM 0 HG3 LYS X 20 84.255 -9.375 -8.383 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.043 -9.809 -10.544 1.00 1.00 H new ATOM 0 HD3 LYS X 20 83.588 -11.474 -10.510 1.00 1.00 H new ATOM 0 HE2 LYS X 20 82.420 -11.827 -8.329 1.00 1.00 H new ATOM 0 HE3 LYS X 20 81.905 -10.152 -8.321 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 80.170 -11.597 -9.197 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 80.710 -10.537 -10.409 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 81.209 -12.160 -10.416 1.00 1.00 H new ATOM 340 N THR X 21 88.477 -8.710 -10.775 1.00 1.00 N ATOM 341 CA THR X 21 89.726 -8.844 -11.518 1.00 1.00 C ATOM 342 C THR X 21 90.923 -8.742 -10.570 1.00 1.00 C ATOM 343 O THR X 21 91.910 -9.461 -10.723 1.00 1.00 O ATOM 344 CB THR X 21 89.814 -7.767 -12.605 1.00 1.00 C ATOM 345 OG1 THR X 21 88.999 -8.142 -13.703 1.00 1.00 O ATOM 346 CG2 THR X 21 91.260 -7.608 -13.071 1.00 1.00 C ATOM 0 H THR X 21 87.894 -7.924 -11.061 1.00 1.00 H new ATOM 0 HA THR X 21 89.744 -9.824 -11.995 1.00 1.00 H new ATOM 0 HB THR X 21 89.468 -6.817 -12.197 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.052 -7.454 -14.399 1.00 1.00 H new ATOM 0 HG21 THR X 21 91.311 -6.840 -13.843 1.00 1.00 H new ATOM 0 HG22 THR X 21 91.884 -7.315 -12.227 1.00 1.00 H new ATOM 0 HG23 THR X 21 91.618 -8.555 -13.476 1.00 1.00 H new ATOM 354 N ARG X 22 90.833 -7.834 -9.600 1.00 1.00 N ATOM 355 CA ARG X 22 91.920 -7.631 -8.642 1.00 1.00 C ATOM 356 C ARG X 22 92.156 -8.892 -7.815 1.00 1.00 C ATOM 357 O ARG X 22 93.168 -9.008 -7.123 1.00 1.00 O ATOM 358 CB ARG X 22 91.567 -6.481 -7.695 1.00 1.00 C ATOM 359 CG ARG X 22 91.289 -5.220 -8.509 1.00 1.00 C ATOM 360 CD ARG X 22 90.894 -4.073 -7.577 1.00 1.00 C ATOM 361 NE ARG X 22 90.260 -3.003 -8.343 1.00 1.00 N ATOM 362 CZ ARG X 22 90.172 -1.768 -7.859 1.00 1.00 C ATOM 363 NH1 ARG X 22 90.682 -1.489 -6.690 1.00 1.00 N ATOM 364 NH2 ARG X 22 89.575 -0.836 -8.551 1.00 1.00 N ATOM 0 H ARG X 22 90.024 -7.230 -9.456 1.00 1.00 H new ATOM 0 HA ARG X 22 92.825 -7.395 -9.201 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.693 -6.742 -7.099 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.387 -6.304 -6.999 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.174 -4.945 -9.083 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.490 -5.409 -9.226 1.00 1.00 H new ATOM 0 HD2 ARG X 22 90.211 -4.436 -6.809 1.00 1.00 H new ATOM 0 HD3 ARG X 22 91.776 -3.690 -7.063 1.00 1.00 H new ATOM 0 HE ARG X 22 89.878 -3.207 -9.266 1.00 1.00 H new ATOM 0 HH11 ARG X 22 91.147 -2.218 -6.149 1.00 1.00 H new ATOM 0 HH12 ARG X 22 90.615 -0.542 -6.317 1.00 1.00 H new ATOM 0 HH21 ARG X 22 89.176 -1.055 -9.464 1.00 1.00 H new ATOM 0 HH22 ARG X 22 89.508 0.111 -8.179 1.00 1.00 H new ATOM 378 N GLY X 23 91.218 -9.833 -7.890 1.00 1.00 N ATOM 379 CA GLY X 23 91.338 -11.080 -7.140 1.00 1.00 C ATOM 380 C GLY X 23 90.355 -11.115 -5.977 1.00 1.00 C ATOM 381 O GLY X 23 90.547 -11.858 -5.013 1.00 1.00 O ATOM 0 H GLY X 23 90.374 -9.757 -8.457 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.153 -11.926 -7.802 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.356 -11.186 -6.764 1.00 1.00 H new ATOM 385 N VAL X 24 89.305 -10.308 -6.070 1.00 1.00 N ATOM 386 CA VAL X 24 88.304 -10.258 -5.012 1.00 1.00 C ATOM 387 C VAL X 24 87.189 -11.273 -5.264 1.00 1.00 C ATOM 388 O VAL X 24 86.606 -11.316 -6.348 1.00 1.00 O ATOM 389 CB VAL X 24 87.704 -8.851 -4.932 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.586 -8.829 -3.892 1.00 1.00 C ATOM 391 CG2 VAL X 24 88.794 -7.849 -4.537 1.00 1.00 C ATOM 0 H VAL X 24 89.126 -9.686 -6.858 1.00 1.00 H new ATOM 0 HA VAL X 24 88.792 -10.506 -4.069 1.00 1.00 H new ATOM 0 HB VAL X 24 87.297 -8.576 -5.905 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.160 -7.827 -3.837 1.00 1.00 H new ATOM 0 HG12 VAL X 24 85.809 -9.538 -4.178 1.00 1.00 H new ATOM 0 HG13 VAL X 24 86.990 -9.106 -2.918 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.365 -6.848 -4.481 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.205 -8.123 -3.565 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.588 -7.862 -5.284 1.00 1.00 H new ATOM 401 N LYS X 25 86.899 -12.082 -4.246 1.00 1.00 N ATOM 402 CA LYS X 25 85.850 -13.094 -4.347 1.00 1.00 C ATOM 403 C LYS X 25 84.828 -12.912 -3.230 1.00 1.00 C ATOM 404 O LYS X 25 84.979 -13.460 -2.138 1.00 1.00 O ATOM 405 CB LYS X 25 86.459 -14.493 -4.267 1.00 1.00 C ATOM 406 CG LYS X 25 87.235 -14.782 -5.551 1.00 1.00 C ATOM 407 CD LYS X 25 87.875 -16.168 -5.455 1.00 1.00 C ATOM 408 CE LYS X 25 88.637 -16.473 -6.745 1.00 1.00 C ATOM 409 NZ LYS X 25 89.287 -17.810 -6.633 1.00 1.00 N ATOM 0 H LYS X 25 87.375 -12.056 -3.344 1.00 1.00 H new ATOM 0 HA LYS X 25 85.348 -12.977 -5.307 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.122 -14.565 -3.404 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.674 -15.236 -4.128 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.567 -14.736 -6.411 1.00 1.00 H new ATOM 0 HG3 LYS X 25 88.003 -14.024 -5.703 1.00 1.00 H new ATOM 0 HD2 LYS X 25 88.553 -16.208 -4.602 1.00 1.00 H new ATOM 0 HD3 LYS X 25 87.107 -16.923 -5.287 1.00 1.00 H new ATOM 0 HE2 LYS X 25 87.955 -16.458 -7.595 1.00 1.00 H new ATOM 0 HE3 LYS X 25 89.389 -15.705 -6.926 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 89.806 -18.018 -7.510 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 89.949 -17.808 -5.831 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 88.560 -18.538 -6.479 1.00 1.00 H new ATOM 423 N VAL X 26 83.794 -12.135 -3.522 1.00 1.00 N ATOM 424 CA VAL X 26 82.740 -11.864 -2.550 1.00 1.00 C ATOM 425 C VAL X 26 81.362 -11.952 -3.201 1.00 1.00 C ATOM 426 O VAL X 26 81.240 -11.908 -4.426 1.00 1.00 O ATOM 427 CB VAL X 26 82.932 -10.471 -1.945 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.208 -10.453 -1.103 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.047 -9.431 -3.065 1.00 1.00 C ATOM 0 H VAL X 26 83.661 -11.680 -4.425 1.00 1.00 H new ATOM 0 HA VAL X 26 82.802 -12.616 -1.763 1.00 1.00 H new ATOM 0 HB VAL X 26 82.075 -10.231 -1.316 1.00 1.00 H new ATOM 0 HG11 VAL X 26 84.345 -9.461 -0.672 1.00 1.00 H new ATOM 0 HG12 VAL X 26 84.126 -11.189 -0.303 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.063 -10.696 -1.733 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.184 -8.441 -2.630 1.00 1.00 H new ATOM 0 HG22 VAL X 26 83.902 -9.670 -3.697 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.137 -9.441 -3.666 1.00 1.00 H new ATOM 439 N LYS X 27 80.330 -12.082 -2.372 1.00 1.00 N ATOM 440 CA LYS X 27 78.958 -12.183 -2.863 1.00 1.00 C ATOM 441 C LYS X 27 78.462 -10.828 -3.363 1.00 1.00 C ATOM 442 O LYS X 27 79.110 -9.802 -3.157 1.00 1.00 O ATOM 443 CB LYS X 27 78.047 -12.665 -1.734 1.00 1.00 C ATOM 444 CG LYS X 27 78.649 -13.914 -1.092 1.00 1.00 C ATOM 445 CD LYS X 27 77.827 -14.291 0.135 1.00 1.00 C ATOM 446 CE LYS X 27 78.455 -15.511 0.802 1.00 1.00 C ATOM 447 NZ LYS X 27 77.660 -15.885 2.003 1.00 1.00 N ATOM 0 H LYS X 27 80.417 -12.120 -1.356 1.00 1.00 H new ATOM 0 HA LYS X 27 78.937 -12.893 -3.690 1.00 1.00 H new ATOM 0 HB2 LYS X 27 77.929 -11.880 -0.987 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.053 -12.886 -2.123 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.657 -14.737 -1.806 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.685 -13.728 -0.808 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.792 -13.456 0.835 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.799 -14.508 -0.154 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.488 -16.345 0.101 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.484 -15.293 1.088 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 78.088 -16.717 2.458 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.650 -15.090 2.674 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.685 -16.110 1.718 1.00 1.00 H new ATOM 461 N TYR X 28 77.312 -10.831 -4.030 1.00 1.00 N ATOM 462 CA TYR X 28 76.745 -9.599 -4.561 1.00 1.00 C ATOM 463 C TYR X 28 76.307 -8.660 -3.437 1.00 1.00 C ATOM 464 O TYR X 28 76.722 -7.507 -3.370 1.00 1.00 O ATOM 465 CB TYR X 28 75.537 -9.933 -5.430 1.00 1.00 C ATOM 466 CG TYR X 28 75.171 -8.721 -6.238 1.00 1.00 C ATOM 467 CD1 TYR X 28 76.005 -8.337 -7.294 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.016 -7.982 -5.953 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.686 -7.213 -8.065 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.697 -6.858 -6.724 1.00 1.00 C ATOM 471 CZ TYR X 28 74.532 -6.474 -7.780 1.00 1.00 C ATOM 472 OH TYR X 28 74.217 -5.366 -8.538 1.00 1.00 O ATOM 0 H TYR X 28 76.758 -11.668 -4.214 1.00 1.00 H new ATOM 0 HA TYR X 28 77.512 -9.097 -5.151 1.00 1.00 H new ATOM 0 HB2 TYR X 28 75.766 -10.770 -6.089 1.00 1.00 H new ATOM 0 HB3 TYR X 28 74.697 -10.239 -4.807 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.895 -8.908 -7.514 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.372 -8.279 -5.139 1.00 1.00 H new ATOM 0 HE1 TYR X 28 76.330 -6.916 -8.879 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.807 -6.287 -6.504 1.00 1.00 H new ATOM 0 HH TYR X 28 73.965 -5.649 -9.442 1.00 1.00 H new ATOM 482 N ALA X 29 75.456 -9.175 -2.564 1.00 1.00 N ATOM 483 CA ALA X 29 74.935 -8.410 -1.443 1.00 1.00 C ATOM 484 C ALA X 29 76.043 -7.930 -0.511 1.00 1.00 C ATOM 485 O ALA X 29 75.859 -6.973 0.240 1.00 1.00 O ATOM 486 CB ALA X 29 73.941 -9.263 -0.651 1.00 1.00 C ATOM 0 H ALA X 29 75.108 -10.133 -2.612 1.00 1.00 H new ATOM 0 HA ALA X 29 74.437 -7.531 -1.852 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.553 -8.685 0.188 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.117 -9.558 -1.300 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.444 -10.154 -0.276 1.00 1.00 H new ATOM 492 N ASP X 30 77.172 -8.624 -0.518 1.00 1.00 N ATOM 493 CA ASP X 30 78.260 -8.267 0.387 1.00 1.00 C ATOM 494 C ASP X 30 78.726 -6.828 0.175 1.00 1.00 C ATOM 495 O ASP X 30 78.773 -6.041 1.121 1.00 1.00 O ATOM 496 CB ASP X 30 79.442 -9.215 0.155 1.00 1.00 C ATOM 497 CG ASP X 30 79.219 -10.552 0.858 1.00 1.00 C ATOM 498 OD1 ASP X 30 78.410 -10.605 1.769 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.855 -11.513 0.454 1.00 1.00 O ATOM 0 H ASP X 30 77.359 -9.422 -1.126 1.00 1.00 H new ATOM 0 HA ASP X 30 77.889 -8.356 1.408 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.575 -9.380 -0.914 1.00 1.00 H new ATOM 0 HB3 ASP X 30 80.359 -8.755 0.523 1.00 1.00 H new ATOM 504 N LEU X 31 79.071 -6.486 -1.058 1.00 1.00 N ATOM 505 CA LEU X 31 79.524 -5.131 -1.366 1.00 1.00 C ATOM 506 C LEU X 31 78.366 -4.151 -1.439 1.00 1.00 C ATOM 507 O LEU X 31 78.507 -2.985 -1.075 1.00 1.00 O ATOM 508 CB LEU X 31 80.295 -5.105 -2.685 1.00 1.00 C ATOM 509 CG LEU X 31 81.797 -5.355 -2.454 1.00 1.00 C ATOM 510 CD1 LEU X 31 82.451 -4.114 -1.842 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.004 -6.547 -1.515 1.00 1.00 C ATOM 0 H LEU X 31 79.048 -7.119 -1.857 1.00 1.00 H new ATOM 0 HA LEU X 31 80.183 -4.824 -0.554 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.896 -5.864 -3.358 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.154 -4.141 -3.173 1.00 1.00 H new ATOM 0 HG LEU X 31 82.258 -5.573 -3.418 1.00 1.00 H new ATOM 0 HD11 LEU X 31 83.513 -4.303 -1.683 1.00 1.00 H new ATOM 0 HD12 LEU X 31 82.330 -3.268 -2.519 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.977 -3.886 -0.888 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.071 -6.709 -1.363 1.00 1.00 H new ATOM 0 HD22 LEU X 31 81.528 -6.342 -0.556 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.561 -7.439 -1.957 1.00 1.00 H new ATOM 523 N LEU X 32 77.227 -4.617 -1.939 1.00 1.00 N ATOM 524 CA LEU X 32 76.076 -3.746 -2.076 1.00 1.00 C ATOM 525 C LEU X 32 75.626 -3.269 -0.699 1.00 1.00 C ATOM 526 O LEU X 32 75.360 -2.086 -0.497 1.00 1.00 O ATOM 527 CB LEU X 32 74.950 -4.495 -2.793 1.00 1.00 C ATOM 528 CG LEU X 32 73.830 -3.525 -3.179 1.00 1.00 C ATOM 529 CD1 LEU X 32 74.192 -2.797 -4.480 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.538 -4.313 -3.395 1.00 1.00 C ATOM 0 H LEU X 32 77.081 -5.577 -2.250 1.00 1.00 H new ATOM 0 HA LEU X 32 76.342 -2.872 -2.671 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.340 -4.985 -3.685 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.555 -5.278 -2.146 1.00 1.00 H new ATOM 0 HG LEU X 32 73.698 -2.795 -2.381 1.00 1.00 H new ATOM 0 HD11 LEU X 32 73.390 -2.109 -4.747 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.117 -2.238 -4.339 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.326 -3.526 -5.279 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.736 -3.628 -3.670 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.684 -5.040 -4.194 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.271 -4.833 -2.475 1.00 1.00 H new ATOM 542 N LYS X 33 75.573 -4.196 0.250 1.00 1.00 N ATOM 543 CA LYS X 33 75.186 -3.859 1.615 1.00 1.00 C ATOM 544 C LYS X 33 76.225 -2.950 2.269 1.00 1.00 C ATOM 545 O LYS X 33 75.875 -1.999 2.966 1.00 1.00 O ATOM 546 CB LYS X 33 75.029 -5.128 2.438 1.00 1.00 C ATOM 547 CG LYS X 33 73.782 -5.871 1.968 1.00 1.00 C ATOM 548 CD LYS X 33 73.697 -7.231 2.662 1.00 1.00 C ATOM 549 CE LYS X 33 72.475 -7.988 2.145 1.00 1.00 C ATOM 550 NZ LYS X 33 71.258 -7.526 2.875 1.00 1.00 N ATOM 0 H LYS X 33 75.792 -5.181 0.101 1.00 1.00 H new ATOM 0 HA LYS X 33 74.235 -3.328 1.577 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.909 -5.761 2.326 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.945 -4.883 3.497 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.892 -5.283 2.190 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.814 -6.006 0.887 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.603 -7.806 2.471 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.626 -7.097 3.741 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.356 -7.820 1.075 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.612 -9.060 2.286 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.426 -8.041 2.523 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 71.373 -7.708 3.892 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.126 -6.506 2.719 1.00 1.00 H new ATOM 564 N PHE X 34 77.503 -3.254 2.051 1.00 1.00 N ATOM 565 CA PHE X 34 78.578 -2.461 2.638 1.00 1.00 C ATOM 566 C PHE X 34 78.452 -1.003 2.195 1.00 1.00 C ATOM 567 O PHE X 34 78.524 -0.085 3.019 1.00 1.00 O ATOM 568 CB PHE X 34 79.941 -3.018 2.191 1.00 1.00 C ATOM 569 CG PHE X 34 81.009 -2.697 3.222 1.00 1.00 C ATOM 570 CD1 PHE X 34 81.341 -1.367 3.502 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.655 -3.738 3.899 1.00 1.00 C ATOM 572 CE1 PHE X 34 82.320 -1.077 4.461 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.633 -3.449 4.859 1.00 1.00 C ATOM 574 CZ PHE X 34 82.964 -2.118 5.139 1.00 1.00 C ATOM 0 H PHE X 34 77.816 -4.037 1.477 1.00 1.00 H new ATOM 0 HA PHE X 34 78.504 -2.514 3.724 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.872 -4.097 2.053 1.00 1.00 H new ATOM 0 HB3 PHE X 34 80.217 -2.591 1.227 1.00 1.00 H new ATOM 0 HD1 PHE X 34 80.843 -0.564 2.979 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.399 -4.764 3.681 1.00 1.00 H new ATOM 0 HE1 PHE X 34 82.578 -0.051 4.677 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.131 -4.252 5.382 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.718 -1.894 5.880 1.00 1.00 H new ATOM 584 N PHE X 35 78.258 -0.794 0.895 1.00 1.00 N ATOM 585 CA PHE X 35 78.120 0.561 0.369 1.00 1.00 C ATOM 586 C PHE X 35 76.869 1.220 0.927 1.00 1.00 C ATOM 587 O PHE X 35 76.802 2.440 1.059 1.00 1.00 O ATOM 588 CB PHE X 35 78.057 0.545 -1.157 1.00 1.00 C ATOM 589 CG PHE X 35 79.328 1.138 -1.721 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.601 2.499 -1.541 1.00 1.00 C ATOM 591 CD2 PHE X 35 80.225 0.332 -2.432 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.771 3.054 -2.072 1.00 1.00 C ATOM 593 CE2 PHE X 35 81.395 0.886 -2.963 1.00 1.00 C ATOM 594 CZ PHE X 35 81.668 2.247 -2.784 1.00 1.00 C ATOM 0 H PHE X 35 78.194 -1.534 0.196 1.00 1.00 H new ATOM 0 HA PHE X 35 78.994 1.134 0.678 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.930 -0.476 -1.515 1.00 1.00 H new ATOM 0 HB3 PHE X 35 77.194 1.114 -1.502 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.909 3.121 -0.992 1.00 1.00 H new ATOM 0 HD2 PHE X 35 80.014 -0.718 -2.571 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.982 4.104 -1.933 1.00 1.00 H new ATOM 0 HE2 PHE X 35 82.087 0.264 -3.511 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.570 2.675 -3.195 1.00 1.00 H new ATOM 604 N ASP X 36 75.878 0.410 1.251 1.00 1.00 N ATOM 605 CA ASP X 36 74.642 0.936 1.799 1.00 1.00 C ATOM 606 C ASP X 36 74.824 1.274 3.278 1.00 1.00 C ATOM 607 O ASP X 36 74.127 2.133 3.820 1.00 1.00 O ATOM 608 CB ASP X 36 73.527 -0.094 1.635 1.00 1.00 C ATOM 609 CG ASP X 36 73.161 -0.237 0.162 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.646 0.553 -0.631 1.00 1.00 O ATOM 611 OD2 ASP X 36 72.409 -1.145 -0.154 1.00 1.00 O ATOM 0 H ASP X 36 75.904 -0.604 1.146 1.00 1.00 H new ATOM 0 HA ASP X 36 74.374 1.845 1.261 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.848 -1.056 2.033 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.651 0.212 2.208 1.00 1.00 H new ATOM 616 N PHE X 37 75.765 0.588 3.924 1.00 1.00 N ATOM 617 CA PHE X 37 76.034 0.816 5.341 1.00 1.00 C ATOM 618 C PHE X 37 76.583 2.222 5.574 1.00 1.00 C ATOM 619 O PHE X 37 76.057 2.978 6.397 1.00 1.00 O ATOM 620 CB PHE X 37 77.051 -0.214 5.840 1.00 1.00 C ATOM 621 CG PHE X 37 77.070 -0.213 7.348 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.729 0.806 8.045 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.420 -1.234 8.051 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.737 0.805 9.445 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.427 -1.234 9.451 1.00 1.00 C ATOM 626 CZ PHE X 37 77.085 -0.214 10.148 1.00 1.00 C ATOM 0 H PHE X 37 76.351 -0.126 3.491 1.00 1.00 H new ATOM 0 HA PHE X 37 75.098 0.714 5.890 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.791 -1.206 5.470 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.042 0.021 5.453 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.232 1.593 7.503 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.913 -2.022 7.513 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.247 1.591 9.983 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.925 -2.021 9.993 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.089 -0.214 11.228 1.00 1.00 H new ATOM 636 N VAL X 38 77.639 2.572 4.839 1.00 1.00 N ATOM 637 CA VAL X 38 78.240 3.897 4.980 1.00 1.00 C ATOM 638 C VAL X 38 77.261 4.964 4.523 1.00 1.00 C ATOM 639 O VAL X 38 77.150 6.012 5.138 1.00 1.00 O ATOM 640 CB VAL X 38 79.528 3.999 4.158 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.189 3.909 2.678 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.220 5.345 4.408 1.00 1.00 C ATOM 0 H VAL X 38 78.089 1.968 4.151 1.00 1.00 H new ATOM 0 HA VAL X 38 78.482 4.051 6.032 1.00 1.00 H new ATOM 0 HB VAL X 38 80.191 3.186 4.454 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.104 3.981 2.090 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.701 2.956 2.474 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.519 4.725 2.408 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.133 5.400 3.816 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.552 6.157 4.120 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.467 5.436 5.466 1.00 1.00 H new ATOM 652 N LYS X 39 76.552 4.697 3.437 1.00 1.00 N ATOM 653 CA LYS X 39 75.592 5.664 2.929 1.00 1.00 C ATOM 654 C LYS X 39 74.476 5.913 3.938 1.00 1.00 C ATOM 655 O LYS X 39 74.004 7.040 4.081 1.00 1.00 O ATOM 656 CB LYS X 39 75.004 5.194 1.600 1.00 1.00 C ATOM 657 CG LYS X 39 76.048 5.376 0.500 1.00 1.00 C ATOM 658 CD LYS X 39 75.475 4.883 -0.826 1.00 1.00 C ATOM 659 CE LYS X 39 76.457 5.192 -1.955 1.00 1.00 C ATOM 660 NZ LYS X 39 75.874 4.743 -3.249 1.00 1.00 N ATOM 0 H LYS X 39 76.621 3.834 2.898 1.00 1.00 H new ATOM 0 HA LYS X 39 76.122 6.603 2.766 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.709 4.147 1.669 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.105 5.764 1.364 1.00 1.00 H new ATOM 0 HG2 LYS X 39 76.329 6.426 0.420 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.953 4.821 0.747 1.00 1.00 H new ATOM 0 HD2 LYS X 39 75.288 3.810 -0.777 1.00 1.00 H new ATOM 0 HD3 LYS X 39 74.517 5.365 -1.021 1.00 1.00 H new ATOM 0 HE2 LYS X 39 76.666 6.261 -1.988 1.00 1.00 H new ATOM 0 HE3 LYS X 39 77.406 4.687 -1.776 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 76.115 5.427 -3.994 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 76.259 3.810 -3.498 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 74.840 4.678 -3.160 1.00 1.00 H new ATOM 674 N ASP X 40 74.049 4.858 4.623 1.00 1.00 N ATOM 675 CA ASP X 40 72.972 4.981 5.602 1.00 1.00 C ATOM 676 C ASP X 40 73.324 5.962 6.723 1.00 1.00 C ATOM 677 O ASP X 40 72.537 6.853 7.041 1.00 1.00 O ATOM 678 CB ASP X 40 72.685 3.608 6.215 1.00 1.00 C ATOM 679 CG ASP X 40 71.967 2.715 5.207 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.417 3.244 4.255 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.968 1.513 5.412 1.00 1.00 O ATOM 0 H ASP X 40 74.427 3.916 4.521 1.00 1.00 H new ATOM 0 HA ASP X 40 72.094 5.364 5.081 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.619 3.139 6.526 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.073 3.723 7.110 1.00 1.00 H new ATOM 686 N THR X 41 74.495 5.791 7.333 1.00 1.00 N ATOM 687 CA THR X 41 74.905 6.676 8.424 1.00 1.00 C ATOM 688 C THR X 41 75.848 7.765 7.925 1.00 1.00 C ATOM 689 O THR X 41 75.927 8.847 8.508 1.00 1.00 O ATOM 690 CB THR X 41 75.594 5.860 9.519 1.00 1.00 C ATOM 691 OG1 THR X 41 76.509 4.950 8.924 1.00 1.00 O ATOM 692 CG2 THR X 41 74.541 5.085 10.310 1.00 1.00 C ATOM 0 H THR X 41 75.167 5.061 7.097 1.00 1.00 H new ATOM 0 HA THR X 41 74.013 7.155 8.828 1.00 1.00 H new ATOM 0 HB THR X 41 76.133 6.528 10.190 1.00 1.00 H new ATOM 0 HG1 THR X 41 76.953 4.427 9.624 1.00 1.00 H new ATOM 0 HG21 THR X 41 75.029 4.502 11.091 1.00 1.00 H new ATOM 0 HG22 THR X 41 73.839 5.785 10.764 1.00 1.00 H new ATOM 0 HG23 THR X 41 74.003 4.415 9.640 1.00 1.00 H new ATOM 700 N CYS X 42 76.557 7.466 6.847 1.00 1.00 N ATOM 701 CA CYS X 42 77.502 8.407 6.262 1.00 1.00 C ATOM 702 C CYS X 42 77.214 8.596 4.766 1.00 1.00 C ATOM 703 O CYS X 42 77.843 7.969 3.914 1.00 1.00 O ATOM 704 CB CYS X 42 78.934 7.885 6.482 1.00 1.00 C ATOM 705 SG CYS X 42 80.058 8.527 5.215 1.00 1.00 S ATOM 0 H CYS X 42 76.495 6.574 6.357 1.00 1.00 H new ATOM 0 HA CYS X 42 77.397 9.378 6.746 1.00 1.00 H new ATOM 0 HB2 CYS X 42 79.286 8.182 7.470 1.00 1.00 H new ATOM 0 HB3 CYS X 42 78.936 6.795 6.457 1.00 1.00 H new ATOM 0 HG CYS X 42 80.270 9.793 5.424 1.00 1.00 H new ATOM 711 N PRO X 43 76.264 9.441 4.434 1.00 1.00 N ATOM 712 CA PRO X 43 75.881 9.720 3.013 1.00 1.00 C ATOM 713 C PRO X 43 77.054 10.280 2.208 1.00 1.00 C ATOM 714 O PRO X 43 77.150 10.073 0.998 1.00 1.00 O ATOM 715 CB PRO X 43 74.756 10.764 3.126 1.00 1.00 C ATOM 716 CG PRO X 43 74.245 10.646 4.520 1.00 1.00 C ATOM 717 CD PRO X 43 75.440 10.223 5.370 1.00 1.00 C ATOM 0 HA PRO X 43 75.573 8.814 2.490 1.00 1.00 H new ATOM 0 HB2 PRO X 43 75.131 11.768 2.929 1.00 1.00 H new ATOM 0 HB3 PRO X 43 73.966 10.570 2.400 1.00 1.00 H new ATOM 0 HG2 PRO X 43 73.835 11.594 4.867 1.00 1.00 H new ATOM 0 HG3 PRO X 43 73.443 9.911 4.581 1.00 1.00 H new ATOM 0 HD2 PRO X 43 75.982 11.085 5.759 1.00 1.00 H new ATOM 0 HD3 PRO X 43 75.131 9.627 6.229 1.00 1.00 H new ATOM 725 N TRP X 44 77.939 11.002 2.894 1.00 1.00 N ATOM 726 CA TRP X 44 79.093 11.601 2.252 1.00 1.00 C ATOM 727 C TRP X 44 80.167 10.567 1.979 1.00 1.00 C ATOM 728 O TRP X 44 80.376 9.637 2.759 1.00 1.00 O ATOM 729 CB TRP X 44 79.684 12.700 3.137 1.00 1.00 C ATOM 730 CG TRP X 44 79.786 12.201 4.538 1.00 1.00 C ATOM 731 CD1 TRP X 44 80.728 11.336 4.979 1.00 1.00 C ATOM 732 CD2 TRP X 44 78.938 12.502 5.684 1.00 1.00 C ATOM 733 NE1 TRP X 44 80.512 11.086 6.323 1.00 1.00 N ATOM 734 CE2 TRP X 44 79.421 11.783 6.803 1.00 1.00 C ATOM 735 CE3 TRP X 44 77.809 13.322 5.861 1.00 1.00 C ATOM 736 CZ2 TRP X 44 78.805 11.874 8.053 1.00 1.00 C ATOM 737 CZ3 TRP X 44 77.186 13.417 7.115 1.00 1.00 C ATOM 738 CH2 TRP X 44 77.684 12.693 8.210 1.00 1.00 C ATOM 0 H TRP X 44 77.873 11.183 3.896 1.00 1.00 H new ATOM 0 HA TRP X 44 78.757 12.025 1.306 1.00 1.00 H new ATOM 0 HB2 TRP X 44 80.668 12.989 2.769 1.00 1.00 H new ATOM 0 HB3 TRP X 44 79.056 13.590 3.100 1.00 1.00 H new ATOM 0 HD1 TRP X 44 81.519 10.910 4.380 1.00 1.00 H new ATOM 0 HE1 TRP X 44 81.088 10.463 6.889 1.00 1.00 H new ATOM 0 HE3 TRP X 44 77.418 13.883 5.025 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 79.192 11.315 8.892 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 76.320 14.050 7.238 1.00 1.00 H new ATOM 0 HH2 TRP X 44 77.201 12.769 9.173 1.00 1.00 H new ATOM 749 N PHE X 45 80.845 10.759 0.865 1.00 1.00 N ATOM 750 CA PHE X 45 81.921 9.873 0.451 1.00 1.00 C ATOM 751 C PHE X 45 82.774 10.533 -0.633 1.00 1.00 C ATOM 752 O PHE X 45 83.146 9.893 -1.616 1.00 1.00 O ATOM 753 CB PHE X 45 81.343 8.558 -0.078 1.00 1.00 C ATOM 754 CG PHE X 45 80.732 8.786 -1.439 1.00 1.00 C ATOM 755 CD1 PHE X 45 79.592 9.587 -1.568 1.00 1.00 C ATOM 756 CD2 PHE X 45 81.301 8.191 -2.572 1.00 1.00 C ATOM 757 CE1 PHE X 45 79.020 9.795 -2.830 1.00 1.00 C ATOM 758 CE2 PHE X 45 80.730 8.398 -3.833 1.00 1.00 C ATOM 759 CZ PHE X 45 79.589 9.200 -3.962 1.00 1.00 C ATOM 0 H PHE X 45 80.668 11.530 0.221 1.00 1.00 H new ATOM 0 HA PHE X 45 82.551 9.668 1.317 1.00 1.00 H new ATOM 0 HB2 PHE X 45 82.127 7.804 -0.142 1.00 1.00 H new ATOM 0 HB3 PHE X 45 80.589 8.177 0.611 1.00 1.00 H new ATOM 0 HD1 PHE X 45 79.153 10.045 -0.694 1.00 1.00 H new ATOM 0 HD2 PHE X 45 82.181 7.572 -2.473 1.00 1.00 H new ATOM 0 HE1 PHE X 45 78.141 10.414 -2.929 1.00 1.00 H new ATOM 0 HE2 PHE X 45 81.169 7.939 -4.707 1.00 1.00 H new ATOM 0 HZ PHE X 45 79.148 9.359 -4.935 1.00 1.00 H new ATOM 769 N PRO X 46 83.093 11.796 -0.471 1.00 1.00 N ATOM 770 CA PRO X 46 83.929 12.558 -1.454 1.00 1.00 C ATOM 771 C PRO X 46 85.350 11.996 -1.548 1.00 1.00 C ATOM 772 O PRO X 46 85.597 10.858 -1.152 1.00 1.00 O ATOM 773 CB PRO X 46 83.941 13.989 -0.892 1.00 1.00 C ATOM 774 CG PRO X 46 83.657 13.830 0.560 1.00 1.00 C ATOM 775 CD PRO X 46 82.693 12.649 0.661 1.00 1.00 C ATOM 0 HA PRO X 46 83.530 12.500 -2.467 1.00 1.00 H new ATOM 0 HB2 PRO X 46 84.905 14.470 -1.056 1.00 1.00 H new ATOM 0 HB3 PRO X 46 83.188 14.611 -1.377 1.00 1.00 H new ATOM 0 HG2 PRO X 46 84.572 13.638 1.120 1.00 1.00 H new ATOM 0 HG3 PRO X 46 83.213 14.735 0.974 1.00 1.00 H new ATOM 0 HD2 PRO X 46 82.792 12.128 1.613 1.00 1.00 H new ATOM 0 HD3 PRO X 46 81.654 12.968 0.578 1.00 1.00 H new ATOM 783 N GLN X 47 86.272 12.803 -2.075 1.00 1.00 N ATOM 784 CA GLN X 47 87.666 12.387 -2.221 1.00 1.00 C ATOM 785 C GLN X 47 87.772 11.126 -3.074 1.00 1.00 C ATOM 786 O GLN X 47 87.060 10.147 -2.850 1.00 1.00 O ATOM 787 CB GLN X 47 88.300 12.133 -0.849 1.00 1.00 C ATOM 788 CG GLN X 47 88.453 13.457 -0.096 1.00 1.00 C ATOM 789 CD GLN X 47 89.080 13.205 1.271 1.00 1.00 C ATOM 790 OE1 GLN X 47 89.494 12.084 1.565 1.00 1.00 O ATOM 791 NE2 GLN X 47 89.181 14.185 2.128 1.00 1.00 N ATOM 0 H GLN X 47 86.078 13.748 -2.407 1.00 1.00 H new ATOM 0 HA GLN X 47 88.203 13.195 -2.719 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.680 11.446 -0.273 1.00 1.00 H new ATOM 0 HB3 GLN X 47 89.274 11.658 -0.970 1.00 1.00 H new ATOM 0 HG2 GLN X 47 89.075 14.143 -0.671 1.00 1.00 H new ATOM 0 HG3 GLN X 47 87.480 13.933 0.022 1.00 1.00 H new ATOM 0 HE21 GLN X 47 88.838 15.114 1.883 1.00 1.00 H new ATOM 0 HE22 GLN X 47 89.603 14.022 3.042 1.00 1.00 H new ATOM 800 N GLU X 48 88.664 11.162 -4.058 1.00 1.00 N ATOM 801 CA GLU X 48 88.854 10.021 -4.945 1.00 1.00 C ATOM 802 C GLU X 48 90.313 9.923 -5.387 1.00 1.00 C ATOM 803 O GLU X 48 90.761 8.879 -5.861 1.00 1.00 O ATOM 804 CB GLU X 48 87.938 10.162 -6.169 1.00 1.00 C ATOM 805 CG GLU X 48 88.051 8.915 -7.047 1.00 1.00 C ATOM 806 CD GLU X 48 87.049 8.989 -8.196 1.00 1.00 C ATOM 807 OE1 GLU X 48 86.148 9.809 -8.124 1.00 1.00 O ATOM 808 OE2 GLU X 48 87.194 8.215 -9.129 1.00 1.00 O ATOM 0 H GLU X 48 89.263 11.963 -4.260 1.00 1.00 H new ATOM 0 HA GLU X 48 88.597 9.109 -4.407 1.00 1.00 H new ATOM 0 HB2 GLU X 48 86.905 10.300 -5.848 1.00 1.00 H new ATOM 0 HB3 GLU X 48 88.214 11.047 -6.742 1.00 1.00 H new ATOM 0 HG2 GLU X 48 89.063 8.830 -7.442 1.00 1.00 H new ATOM 0 HG3 GLU X 48 87.866 8.022 -6.450 1.00 1.00 H new ATOM 815 N GLY X 49 91.053 11.018 -5.222 1.00 1.00 N ATOM 816 CA GLY X 49 92.462 11.047 -5.607 1.00 1.00 C ATOM 817 C GLY X 49 93.246 9.928 -4.931 1.00 1.00 C ATOM 818 O GLY X 49 93.163 8.767 -5.332 1.00 1.00 O ATOM 0 H GLY X 49 90.703 11.891 -4.827 1.00 1.00 H new ATOM 0 HA2 GLY X 49 92.547 10.951 -6.689 1.00 1.00 H new ATOM 0 HA3 GLY X 49 92.895 12.011 -5.338 1.00 1.00 H new ATOM 822 N THR X 50 94.006 10.283 -3.900 1.00 1.00 N ATOM 823 CA THR X 50 94.798 9.302 -3.176 1.00 1.00 C ATOM 824 C THR X 50 93.882 8.332 -2.444 1.00 1.00 C ATOM 825 O THR X 50 92.690 8.593 -2.288 1.00 1.00 O ATOM 826 CB THR X 50 95.716 10.007 -2.170 1.00 1.00 C ATOM 827 OG1 THR X 50 94.976 11.002 -1.478 1.00 1.00 O ATOM 828 CG2 THR X 50 96.893 10.660 -2.901 1.00 1.00 C ATOM 0 H THR X 50 94.088 11.238 -3.550 1.00 1.00 H new ATOM 0 HA THR X 50 95.409 8.748 -3.888 1.00 1.00 H new ATOM 0 HB THR X 50 96.102 9.274 -1.461 1.00 1.00 H new ATOM 0 HG1 THR X 50 95.559 11.454 -0.833 1.00 1.00 H new ATOM 0 HG21 THR X 50 97.539 11.158 -2.178 1.00 1.00 H new ATOM 0 HG22 THR X 50 97.462 9.896 -3.430 1.00 1.00 H new ATOM 0 HG23 THR X 50 96.517 11.392 -3.616 1.00 1.00 H new ATOM 836 N ILE X 51 94.445 7.207 -2.015 1.00 1.00 N ATOM 837 CA ILE X 51 93.663 6.193 -1.313 1.00 1.00 C ATOM 838 C ILE X 51 92.680 6.859 -0.357 1.00 1.00 C ATOM 839 O ILE X 51 93.068 7.414 0.672 1.00 1.00 O ATOM 840 CB ILE X 51 94.601 5.252 -0.537 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.264 4.246 -1.494 1.00 1.00 C ATOM 842 CG2 ILE X 51 93.802 4.493 0.522 1.00 1.00 C ATOM 843 CD1 ILE X 51 96.630 3.835 -0.939 1.00 1.00 C ATOM 0 H ILE X 51 95.430 6.975 -2.139 1.00 1.00 H new ATOM 0 HA ILE X 51 93.102 5.610 -2.043 1.00 1.00 H new ATOM 0 HB ILE X 51 95.377 5.848 -0.057 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.629 3.368 -1.612 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.380 4.691 -2.482 1.00 1.00 H new ATOM 0 HG21 ILE X 51 94.467 3.827 1.071 1.00 1.00 H new ATOM 0 HG22 ILE X 51 93.348 5.203 1.213 1.00 1.00 H new ATOM 0 HG23 ILE X 51 93.021 3.907 0.038 1.00 1.00 H new ATOM 0 HD11 ILE X 51 97.099 3.122 -1.617 1.00 1.00 H new ATOM 0 HD12 ILE X 51 97.264 4.716 -0.844 1.00 1.00 H new ATOM 0 HD13 ILE X 51 96.501 3.373 0.040 1.00 1.00 H new ATOM 855 N ASP X 52 91.403 6.804 -0.721 1.00 1.00 N ATOM 856 CA ASP X 52 90.350 7.407 0.086 1.00 1.00 C ATOM 857 C ASP X 52 89.427 6.341 0.651 1.00 1.00 C ATOM 858 O ASP X 52 88.783 6.538 1.682 1.00 1.00 O ATOM 859 CB ASP X 52 89.527 8.361 -0.776 1.00 1.00 C ATOM 860 CG ASP X 52 88.460 9.031 0.081 1.00 1.00 C ATOM 861 OD1 ASP X 52 88.832 9.778 0.971 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.290 8.777 -0.153 1.00 1.00 O ATOM 0 H ASP X 52 91.073 6.347 -1.571 1.00 1.00 H new ATOM 0 HA ASP X 52 90.818 7.948 0.909 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.175 9.115 -1.223 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.060 7.816 -1.596 1.00 1.00 H new ATOM 867 N ILE X 53 89.359 5.218 -0.042 1.00 1.00 N ATOM 868 CA ILE X 53 88.504 4.126 0.380 1.00 1.00 C ATOM 869 C ILE X 53 88.771 3.769 1.830 1.00 1.00 C ATOM 870 O ILE X 53 87.916 3.211 2.518 1.00 1.00 O ATOM 871 CB ILE X 53 88.768 2.914 -0.492 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.376 3.257 -1.925 1.00 1.00 C ATOM 873 CG2 ILE X 53 87.935 1.737 0.010 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.809 2.136 -2.866 1.00 1.00 C ATOM 0 H ILE X 53 89.885 5.040 -0.898 1.00 1.00 H new ATOM 0 HA ILE X 53 87.464 4.437 0.281 1.00 1.00 H new ATOM 0 HB ILE X 53 89.822 2.640 -0.453 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.298 3.403 -1.991 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.843 4.195 -2.224 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.124 0.865 -0.616 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.209 1.510 1.040 1.00 1.00 H new ATOM 0 HG23 ILE X 53 86.877 1.994 -0.036 1.00 1.00 H new ATOM 0 HD11 ILE X 53 88.525 2.389 -3.888 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.890 2.011 -2.810 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.321 1.206 -2.573 1.00 1.00 H new ATOM 886 N LYS X 54 89.963 4.098 2.291 1.00 1.00 N ATOM 887 CA LYS X 54 90.333 3.800 3.660 1.00 1.00 C ATOM 888 C LYS X 54 89.294 4.387 4.601 1.00 1.00 C ATOM 889 O LYS X 54 88.910 3.760 5.584 1.00 1.00 O ATOM 890 CB LYS X 54 91.714 4.385 3.965 1.00 1.00 C ATOM 891 CG LYS X 54 92.211 3.857 5.312 1.00 1.00 C ATOM 892 CD LYS X 54 93.650 4.327 5.540 1.00 1.00 C ATOM 893 CE LYS X 54 94.170 3.767 6.866 1.00 1.00 C ATOM 894 NZ LYS X 54 95.565 4.243 7.097 1.00 1.00 N ATOM 0 H LYS X 54 90.685 4.567 1.743 1.00 1.00 H new ATOM 0 HA LYS X 54 90.374 2.720 3.800 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.416 4.115 3.176 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.662 5.474 3.987 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.568 4.215 6.116 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.165 2.768 5.328 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.286 3.995 4.719 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.690 5.416 5.553 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.526 4.086 7.685 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.145 2.677 6.847 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 95.917 3.862 7.998 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.176 3.917 6.321 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.576 5.282 7.133 1.00 1.00 H new ATOM 908 N ARG X 55 88.837 5.588 4.287 1.00 1.00 N ATOM 909 CA ARG X 55 87.833 6.240 5.111 1.00 1.00 C ATOM 910 C ARG X 55 86.502 5.481 5.054 1.00 1.00 C ATOM 911 O ARG X 55 85.797 5.371 6.065 1.00 1.00 O ATOM 912 CB ARG X 55 87.621 7.680 4.639 1.00 1.00 C ATOM 913 CG ARG X 55 88.877 8.502 4.937 1.00 1.00 C ATOM 914 CD ARG X 55 88.677 9.941 4.459 1.00 1.00 C ATOM 915 NE ARG X 55 89.875 10.730 4.724 1.00 1.00 N ATOM 916 CZ ARG X 55 89.854 12.056 4.650 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.751 12.675 4.330 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.936 12.741 4.899 1.00 1.00 N ATOM 0 H ARG X 55 89.141 6.127 3.476 1.00 1.00 H new ATOM 0 HA ARG X 55 88.189 6.243 6.141 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.407 7.696 3.570 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.759 8.117 5.143 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.086 8.490 6.007 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.740 8.060 4.439 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.455 9.950 3.392 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.821 10.385 4.966 1.00 1.00 H new ATOM 0 HE ARG X 55 90.744 10.255 4.970 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.904 12.141 4.136 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.736 13.693 4.273 1.00 1.00 H new ATOM 0 HH21 ARG X 55 91.799 12.258 5.151 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.919 13.759 4.842 1.00 1.00 H new ATOM 932 N TRP X 56 86.154 4.959 3.869 1.00 1.00 N ATOM 933 CA TRP X 56 84.899 4.235 3.718 1.00 1.00 C ATOM 934 C TRP X 56 84.927 2.946 4.527 1.00 1.00 C ATOM 935 O TRP X 56 84.010 2.649 5.299 1.00 1.00 O ATOM 936 CB TRP X 56 84.654 3.941 2.228 1.00 1.00 C ATOM 937 CG TRP X 56 83.560 2.932 2.076 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.505 2.813 2.914 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.388 1.910 1.052 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.697 1.782 2.470 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.199 1.194 1.326 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.142 1.539 -0.076 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.772 0.146 0.509 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.715 0.483 -0.899 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.533 -0.211 -0.607 1.00 1.00 C ATOM 0 H TRP X 56 86.716 5.026 3.021 1.00 1.00 H new ATOM 0 HA TRP X 56 84.081 4.849 4.096 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.386 4.860 1.707 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.569 3.569 1.768 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.323 3.423 3.787 1.00 1.00 H new ATOM 0 HE1 TRP X 56 80.835 1.491 2.932 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.054 2.068 -0.311 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.860 -0.385 0.738 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.301 0.204 -1.762 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.211 -1.021 -1.244 1.00 1.00 H new ATOM 956 N ARG X 57 85.992 2.192 4.353 1.00 1.00 N ATOM 957 CA ARG X 57 86.155 0.941 5.062 1.00 1.00 C ATOM 958 C ARG X 57 86.376 1.173 6.542 1.00 1.00 C ATOM 959 O ARG X 57 85.947 0.384 7.360 1.00 1.00 O ATOM 960 CB ARG X 57 87.325 0.199 4.482 1.00 1.00 C ATOM 961 CG ARG X 57 86.979 -0.158 3.056 1.00 1.00 C ATOM 962 CD ARG X 57 88.164 -0.862 2.455 1.00 1.00 C ATOM 963 NE ARG X 57 87.864 -1.263 1.093 1.00 1.00 N ATOM 964 CZ ARG X 57 87.341 -2.453 0.816 1.00 1.00 C ATOM 965 NH1 ARG X 57 87.089 -3.295 1.780 1.00 1.00 N ATOM 966 NH2 ARG X 57 87.080 -2.779 -0.421 1.00 1.00 N ATOM 0 H ARG X 57 86.760 2.425 3.724 1.00 1.00 H new ATOM 0 HA ARG X 57 85.244 0.354 4.948 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.223 0.815 4.515 1.00 1.00 H new ATOM 0 HB3 ARG X 57 87.534 -0.700 5.062 1.00 1.00 H new ATOM 0 HG2 ARG X 57 86.099 -0.800 3.026 1.00 1.00 H new ATOM 0 HG3 ARG X 57 86.739 0.739 2.486 1.00 1.00 H new ATOM 0 HD2 ARG X 57 89.033 -0.204 2.466 1.00 1.00 H new ATOM 0 HD3 ARG X 57 88.419 -1.737 3.053 1.00 1.00 H new ATOM 0 HE ARG X 57 88.059 -0.616 0.329 1.00 1.00 H new ATOM 0 HH11 ARG X 57 87.293 -3.040 2.746 1.00 1.00 H new ATOM 0 HH12 ARG X 57 86.688 -4.208 1.567 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.278 -2.120 -1.174 1.00 1.00 H new ATOM 0 HH22 ARG X 57 86.679 -3.692 -0.634 1.00 1.00 H new ATOM 980 N ARG X 58 87.060 2.247 6.881 1.00 1.00 N ATOM 981 CA ARG X 58 87.328 2.539 8.290 1.00 1.00 C ATOM 982 C ARG X 58 86.032 2.539 9.095 1.00 1.00 C ATOM 983 O ARG X 58 85.964 1.940 10.167 1.00 1.00 O ATOM 984 CB ARG X 58 87.991 3.911 8.435 1.00 1.00 C ATOM 985 CG ARG X 58 89.508 3.757 8.525 1.00 1.00 C ATOM 986 CD ARG X 58 90.151 5.143 8.582 1.00 1.00 C ATOM 987 NE ARG X 58 91.592 5.020 8.751 1.00 1.00 N ATOM 988 CZ ARG X 58 92.340 6.055 9.124 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.786 7.218 9.336 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.627 5.907 9.279 1.00 1.00 N ATOM 0 H ARG X 58 87.438 2.926 6.220 1.00 1.00 H new ATOM 0 HA ARG X 58 87.995 1.764 8.668 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.732 4.540 7.583 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.615 4.412 9.327 1.00 1.00 H new ATOM 0 HG2 ARG X 58 89.775 3.182 9.412 1.00 1.00 H new ATOM 0 HG3 ARG X 58 89.881 3.205 7.663 1.00 1.00 H new ATOM 0 HD2 ARG X 58 89.930 5.693 7.667 1.00 1.00 H new ATOM 0 HD3 ARG X 58 89.728 5.715 9.408 1.00 1.00 H new ATOM 0 HE ARG X 58 92.038 4.119 8.579 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.780 7.333 9.216 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.359 8.012 9.622 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.059 4.998 9.114 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.201 6.700 9.565 1.00 1.00 H new ATOM 1004 N VAL X 59 85.003 3.202 8.578 1.00 1.00 N ATOM 1005 CA VAL X 59 83.717 3.248 9.276 1.00 1.00 C ATOM 1006 C VAL X 59 83.074 1.866 9.309 1.00 1.00 C ATOM 1007 O VAL X 59 82.541 1.445 10.336 1.00 1.00 O ATOM 1008 CB VAL X 59 82.780 4.237 8.574 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.407 4.228 9.248 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.371 5.646 8.656 1.00 1.00 C ATOM 0 H VAL X 59 85.029 3.708 7.693 1.00 1.00 H new ATOM 0 HA VAL X 59 83.891 3.576 10.301 1.00 1.00 H new ATOM 0 HB VAL X 59 82.670 3.942 7.531 1.00 1.00 H new ATOM 0 HG11 VAL X 59 80.749 4.934 8.742 1.00 1.00 H new ATOM 0 HG12 VAL X 59 80.979 3.227 9.189 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.513 4.517 10.294 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.705 6.350 8.157 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.484 5.933 9.701 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.346 5.661 8.168 1.00 1.00 H new ATOM 1020 N GLY X 60 83.118 1.168 8.182 1.00 1.00 N ATOM 1021 CA GLY X 60 82.525 -0.156 8.099 1.00 1.00 C ATOM 1022 C GLY X 60 83.312 -1.173 8.922 1.00 1.00 C ATOM 1023 O GLY X 60 82.728 -2.002 9.599 1.00 1.00 O ATOM 0 H GLY X 60 83.555 1.495 7.320 1.00 1.00 H new ATOM 0 HA2 GLY X 60 81.495 -0.118 8.454 1.00 1.00 H new ATOM 0 HA3 GLY X 60 82.492 -0.476 7.058 1.00 1.00 H new ATOM 1027 N ASP X 61 84.637 -1.107 8.854 1.00 1.00 N ATOM 1028 CA ASP X 61 85.491 -2.020 9.595 1.00 1.00 C ATOM 1029 C ASP X 61 85.251 -1.881 11.094 1.00 1.00 C ATOM 1030 O ASP X 61 85.155 -2.874 11.816 1.00 1.00 O ATOM 1031 CB ASP X 61 86.964 -1.710 9.282 1.00 1.00 C ATOM 1032 CG ASP X 61 87.410 -2.422 8.003 1.00 1.00 C ATOM 1033 OD1 ASP X 61 86.755 -3.374 7.616 1.00 1.00 O ATOM 1034 OD2 ASP X 61 88.388 -1.983 7.419 1.00 1.00 O ATOM 0 H ASP X 61 85.143 -0.425 8.289 1.00 1.00 H new ATOM 0 HA ASP X 61 85.255 -3.041 9.296 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.098 -0.634 9.170 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.591 -2.024 10.116 1.00 1.00 H new ATOM 1039 N CYS X 62 85.145 -0.638 11.558 1.00 1.00 N ATOM 1040 CA CYS X 62 84.911 -0.387 12.980 1.00 1.00 C ATOM 1041 C CYS X 62 83.534 -0.905 13.389 1.00 1.00 C ATOM 1042 O CYS X 62 83.395 -1.720 14.321 1.00 1.00 O ATOM 1043 CB CYS X 62 84.984 1.115 13.260 1.00 1.00 C ATOM 1044 SG CYS X 62 86.710 1.618 13.460 1.00 1.00 S ATOM 0 H CYS X 62 85.216 0.200 10.981 1.00 1.00 H new ATOM 0 HA CYS X 62 85.677 -0.907 13.555 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.527 1.670 12.441 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.419 1.354 14.161 1.00 1.00 H new ATOM 0 HG CYS X 62 86.765 2.895 13.695 1.00 1.00 H new ATOM 1050 N PHE X 63 82.511 -0.436 12.682 1.00 1.00 N ATOM 1051 CA PHE X 63 81.154 -0.857 12.977 1.00 1.00 C ATOM 1052 C PHE X 63 81.020 -2.362 12.780 1.00 1.00 C ATOM 1053 O PHE X 63 80.272 -3.032 13.492 1.00 1.00 O ATOM 1054 CB PHE X 63 80.155 -0.128 12.078 1.00 1.00 C ATOM 1055 CG PHE X 63 79.735 1.165 12.739 1.00 1.00 C ATOM 1056 CD1 PHE X 63 79.028 1.131 13.946 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.047 2.393 12.145 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.633 2.325 14.560 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.652 3.589 12.759 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.945 3.554 13.966 1.00 1.00 C ATOM 0 H PHE X 63 82.597 0.227 11.912 1.00 1.00 H new ATOM 0 HA PHE X 63 80.935 -0.608 14.015 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.605 0.077 11.107 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.283 -0.758 11.899 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.787 0.183 14.404 1.00 1.00 H new ATOM 0 HD2 PHE X 63 80.592 2.419 11.213 1.00 1.00 H new ATOM 0 HE1 PHE X 63 78.088 2.298 15.492 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.893 4.537 12.301 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.640 4.475 14.440 1.00 1.00 H new ATOM 1070 N GLN X 64 81.756 -2.879 11.809 1.00 1.00 N ATOM 1071 CA GLN X 64 81.740 -4.301 11.502 1.00 1.00 C ATOM 1072 C GLN X 64 82.262 -5.110 12.679 1.00 1.00 C ATOM 1073 O GLN X 64 81.883 -6.262 12.863 1.00 1.00 O ATOM 1074 CB GLN X 64 82.629 -4.571 10.286 1.00 1.00 C ATOM 1075 CG GLN X 64 82.916 -6.070 10.169 1.00 1.00 C ATOM 1076 CD GLN X 64 84.116 -6.445 11.035 1.00 1.00 C ATOM 1077 OE1 GLN X 64 83.972 -7.188 12.006 1.00 1.00 O ATOM 1078 NE2 GLN X 64 85.295 -5.966 10.746 1.00 1.00 N ATOM 0 H GLN X 64 82.377 -2.330 11.215 1.00 1.00 H new ATOM 0 HA GLN X 64 80.712 -4.597 11.293 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.138 -4.215 9.380 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.565 -4.020 10.380 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.041 -6.641 10.480 1.00 1.00 H new ATOM 0 HG3 GLN X 64 83.113 -6.330 9.129 1.00 1.00 H new ATOM 0 HE21 GLN X 64 85.412 -5.351 9.941 1.00 1.00 H new ATOM 0 HE22 GLN X 64 86.099 -6.207 11.325 1.00 1.00 H new ATOM 1087 N ASP X 65 83.155 -4.510 13.457 1.00 1.00 N ATOM 1088 CA ASP X 65 83.740 -5.206 14.593 1.00 1.00 C ATOM 1089 C ASP X 65 82.675 -5.507 15.623 1.00 1.00 C ATOM 1090 O ASP X 65 82.545 -6.640 16.090 1.00 1.00 O ATOM 1091 CB ASP X 65 84.835 -4.345 15.231 1.00 1.00 C ATOM 1092 CG ASP X 65 85.467 -5.083 16.408 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.012 -6.171 16.719 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.398 -4.543 16.982 1.00 1.00 O ATOM 0 H ASP X 65 83.486 -3.554 13.324 1.00 1.00 H new ATOM 0 HA ASP X 65 84.175 -6.141 14.241 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.598 -4.106 14.490 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.413 -3.399 15.570 1.00 1.00 H new ATOM 1099 N TYR X 66 81.908 -4.488 15.970 1.00 1.00 N ATOM 1100 CA TYR X 66 80.846 -4.670 16.951 1.00 1.00 C ATOM 1101 C TYR X 66 79.675 -5.451 16.349 1.00 1.00 C ATOM 1102 O TYR X 66 79.101 -6.326 16.998 1.00 1.00 O ATOM 1103 CB TYR X 66 80.370 -3.313 17.462 1.00 1.00 C ATOM 1104 CG TYR X 66 79.225 -3.517 18.417 1.00 1.00 C ATOM 1105 CD1 TYR X 66 77.937 -3.735 17.914 1.00 1.00 C ATOM 1106 CD2 TYR X 66 79.440 -3.478 19.801 1.00 1.00 C ATOM 1107 CE1 TYR X 66 76.863 -3.915 18.795 1.00 1.00 C ATOM 1108 CE2 TYR X 66 78.366 -3.658 20.680 1.00 1.00 C ATOM 1109 CZ TYR X 66 77.078 -3.876 20.178 1.00 1.00 C ATOM 1110 OH TYR X 66 76.020 -4.055 21.046 1.00 1.00 O ATOM 0 H TYR X 66 81.995 -3.543 15.597 1.00 1.00 H new ATOM 0 HA TYR X 66 81.244 -5.246 17.787 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.187 -2.792 17.961 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.056 -2.687 16.627 1.00 1.00 H new ATOM 0 HD1 TYR X 66 77.771 -3.764 16.847 1.00 1.00 H new ATOM 0 HD2 TYR X 66 80.434 -3.309 20.189 1.00 1.00 H new ATOM 0 HE1 TYR X 66 75.869 -4.084 18.408 1.00 1.00 H new ATOM 0 HE2 TYR X 66 78.531 -3.629 21.747 1.00 1.00 H new ATOM 0 HH TYR X 66 75.430 -4.758 20.702 1.00 1.00 H new ATOM 1120 N TYR X 67 79.321 -5.114 15.111 1.00 1.00 N ATOM 1121 CA TYR X 67 78.207 -5.769 14.422 1.00 1.00 C ATOM 1122 C TYR X 67 78.455 -7.270 14.260 1.00 1.00 C ATOM 1123 O TYR X 67 77.570 -8.082 14.535 1.00 1.00 O ATOM 1124 CB TYR X 67 78.014 -5.123 13.045 1.00 1.00 C ATOM 1125 CG TYR X 67 77.133 -3.897 13.159 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.410 -2.923 14.126 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.040 -3.738 12.300 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.594 -1.790 14.234 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.223 -2.606 12.407 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.500 -1.632 13.374 1.00 1.00 C ATOM 1131 OH TYR X 67 74.695 -0.517 13.479 1.00 1.00 O ATOM 0 H TYR X 67 79.788 -4.392 14.563 1.00 1.00 H new ATOM 0 HA TYR X 67 77.307 -5.642 15.024 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.982 -4.846 12.627 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.564 -5.840 12.359 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.254 -3.046 14.789 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.826 -4.489 11.554 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.808 -1.039 14.980 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.379 -2.484 11.744 1.00 1.00 H new ATOM 0 HH TYR X 67 73.983 -0.563 12.807 1.00 1.00 H new ATOM 1141 N ASN X 68 79.655 -7.638 13.814 1.00 1.00 N ATOM 1142 CA ASN X 68 79.982 -9.047 13.626 1.00 1.00 C ATOM 1143 C ASN X 68 79.960 -9.786 14.954 1.00 1.00 C ATOM 1144 O ASN X 68 79.450 -10.904 15.045 1.00 1.00 O ATOM 1145 CB ASN X 68 81.366 -9.190 12.992 1.00 1.00 C ATOM 1146 CG ASN X 68 81.291 -8.912 11.493 1.00 1.00 C ATOM 1147 OD1 ASN X 68 82.288 -9.054 10.786 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.161 -8.531 10.964 1.00 1.00 N ATOM 0 H ASN X 68 80.406 -6.989 13.579 1.00 1.00 H new ATOM 0 HA ASN X 68 79.232 -9.481 12.965 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.063 -8.497 13.463 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.751 -10.195 13.164 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.102 -8.350 9.962 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.336 -8.414 11.552 1.00 1.00 H new ATOM 1155 N THR X 69 80.511 -9.159 15.985 1.00 1.00 N ATOM 1156 CA THR X 69 80.537 -9.776 17.302 1.00 1.00 C ATOM 1157 C THR X 69 79.116 -9.979 17.805 1.00 1.00 C ATOM 1158 O THR X 69 78.760 -11.058 18.276 1.00 1.00 O ATOM 1159 CB THR X 69 81.316 -8.896 18.281 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.666 -8.795 17.848 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.267 -9.511 19.680 1.00 1.00 C ATOM 0 H THR X 69 80.941 -8.235 15.936 1.00 1.00 H new ATOM 0 HA THR X 69 81.032 -10.744 17.229 1.00 1.00 H new ATOM 0 HB THR X 69 80.868 -7.903 18.314 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.751 -8.056 17.210 1.00 1.00 H new ATOM 0 HG21 THR X 69 81.823 -8.881 20.374 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.230 -9.586 20.009 1.00 1.00 H new ATOM 0 HG23 THR X 69 81.713 -10.506 19.656 1.00 1.00 H new ATOM 1169 N PHE X 70 78.305 -8.934 17.692 1.00 1.00 N ATOM 1170 CA PHE X 70 76.918 -9.010 18.128 1.00 1.00 C ATOM 1171 C PHE X 70 76.151 -10.027 17.281 1.00 1.00 C ATOM 1172 O PHE X 70 75.350 -10.803 17.803 1.00 1.00 O ATOM 1173 CB PHE X 70 76.250 -7.635 18.031 1.00 1.00 C ATOM 1174 CG PHE X 70 75.014 -7.608 18.905 1.00 1.00 C ATOM 1175 CD1 PHE X 70 73.845 -8.265 18.505 1.00 1.00 C ATOM 1176 CD2 PHE X 70 75.049 -6.920 20.123 1.00 1.00 C ATOM 1177 CE1 PHE X 70 72.710 -8.235 19.324 1.00 1.00 C ATOM 1178 CE2 PHE X 70 73.914 -6.889 20.942 1.00 1.00 C ATOM 1179 CZ PHE X 70 72.744 -7.547 20.543 1.00 1.00 C ATOM 0 H PHE X 70 78.582 -8.032 17.305 1.00 1.00 H new ATOM 0 HA PHE X 70 76.901 -9.334 19.169 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.947 -6.858 18.345 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.981 -7.422 16.996 1.00 1.00 H new ATOM 0 HD1 PHE X 70 73.818 -8.795 17.564 1.00 1.00 H new ATOM 0 HD2 PHE X 70 75.951 -6.413 20.431 1.00 1.00 H new ATOM 0 HE1 PHE X 70 71.808 -8.743 19.016 1.00 1.00 H new ATOM 0 HE2 PHE X 70 73.941 -6.357 21.882 1.00 1.00 H new ATOM 0 HZ PHE X 70 71.869 -7.524 21.175 1.00 1.00 H new ATOM 1189 N GLY X 71 76.386 -10.006 15.969 1.00 1.00 N ATOM 1190 CA GLY X 71 75.698 -10.921 15.063 1.00 1.00 C ATOM 1191 C GLY X 71 75.643 -10.340 13.652 1.00 1.00 C ATOM 1192 O GLY X 71 76.274 -10.857 12.733 1.00 1.00 O ATOM 0 H GLY X 71 77.042 -9.371 15.514 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.213 -11.881 15.047 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.687 -11.108 15.425 1.00 1.00 H new ATOM 1196 N PRO X 72 74.907 -9.274 13.475 1.00 1.00 N ATOM 1197 CA PRO X 72 74.767 -8.593 12.162 1.00 1.00 C ATOM 1198 C PRO X 72 76.047 -8.662 11.336 1.00 1.00 C ATOM 1199 O PRO X 72 76.978 -7.890 11.540 1.00 1.00 O ATOM 1200 CB PRO X 72 74.436 -7.147 12.548 1.00 1.00 C ATOM 1201 CG PRO X 72 73.892 -7.188 13.949 1.00 1.00 C ATOM 1202 CD PRO X 72 74.118 -8.599 14.508 1.00 1.00 C ATOM 0 HA PRO X 72 74.008 -9.058 11.534 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.326 -6.519 12.496 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.705 -6.721 11.861 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.392 -6.447 14.573 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.830 -6.943 13.952 1.00 1.00 H new ATOM 0 HD2 PRO X 72 74.649 -8.570 15.459 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.173 -9.113 14.686 1.00 1.00 H new ATOM 1210 N GLU X 73 76.078 -9.598 10.400 1.00 1.00 N ATOM 1211 CA GLU X 73 77.237 -9.778 9.536 1.00 1.00 C ATOM 1212 C GLU X 73 77.092 -8.940 8.266 1.00 1.00 C ATOM 1213 O GLU X 73 77.913 -9.035 7.352 1.00 1.00 O ATOM 1214 CB GLU X 73 77.397 -11.260 9.185 1.00 1.00 C ATOM 1215 CG GLU X 73 76.200 -11.725 8.350 1.00 1.00 C ATOM 1216 CD GLU X 73 76.291 -13.226 8.097 1.00 1.00 C ATOM 1217 OE1 GLU X 73 77.314 -13.804 8.425 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.331 -13.776 7.583 1.00 1.00 O ATOM 0 H GLU X 73 75.312 -10.247 10.218 1.00 1.00 H new ATOM 0 HA GLU X 73 78.129 -9.442 10.066 1.00 1.00 H new ATOM 0 HB2 GLU X 73 78.322 -11.414 8.629 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.470 -11.854 10.096 1.00 1.00 H new ATOM 0 HG2 GLU X 73 75.271 -11.491 8.870 1.00 1.00 H new ATOM 0 HG3 GLU X 73 76.178 -11.189 7.401 1.00 1.00 H new ATOM 1225 N LYS X 74 76.030 -8.135 8.216 1.00 1.00 N ATOM 1226 CA LYS X 74 75.751 -7.291 7.061 1.00 1.00 C ATOM 1227 C LYS X 74 77.040 -6.791 6.430 1.00 1.00 C ATOM 1228 O LYS X 74 77.155 -6.733 5.205 1.00 1.00 O ATOM 1229 CB LYS X 74 74.882 -6.102 7.491 1.00 1.00 C ATOM 1230 CG LYS X 74 74.677 -5.156 6.307 1.00 1.00 C ATOM 1231 CD LYS X 74 73.753 -4.007 6.701 1.00 1.00 C ATOM 1232 CE LYS X 74 73.714 -3.004 5.551 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.803 -1.878 5.901 1.00 1.00 N ATOM 0 H LYS X 74 75.347 -8.052 8.969 1.00 1.00 H new ATOM 0 HA LYS X 74 75.217 -7.884 6.318 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.918 -6.457 7.856 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.358 -5.571 8.315 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.638 -4.762 5.977 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.251 -5.702 5.466 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.751 -4.381 6.912 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.112 -3.527 7.611 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.716 -2.625 5.351 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.370 -3.493 4.640 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.777 -1.196 5.117 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.845 -2.246 6.071 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.150 -1.405 6.760 1.00 1.00 H new ATOM 1247 N VAL X 75 77.999 -6.433 7.269 1.00 1.00 N ATOM 1248 CA VAL X 75 79.276 -5.938 6.785 1.00 1.00 C ATOM 1249 C VAL X 75 80.414 -6.853 7.247 1.00 1.00 C ATOM 1250 O VAL X 75 81.020 -6.611 8.285 1.00 1.00 O ATOM 1251 CB VAL X 75 79.508 -4.520 7.309 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.773 -3.503 6.431 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.994 -4.409 8.742 1.00 1.00 C ATOM 0 H VAL X 75 77.917 -6.476 8.285 1.00 1.00 H new ATOM 0 HA VAL X 75 79.259 -5.926 5.695 1.00 1.00 H new ATOM 0 HB VAL X 75 80.577 -4.310 7.284 1.00 1.00 H new ATOM 0 HG11 VAL X 75 78.947 -2.498 6.815 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.144 -3.570 5.408 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.704 -3.717 6.444 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.161 -3.397 9.111 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.927 -4.632 8.764 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.526 -5.119 9.375 1.00 1.00 H new ATOM 1263 N PRO X 76 80.716 -7.890 6.497 1.00 1.00 N ATOM 1264 CA PRO X 76 81.817 -8.848 6.838 1.00 1.00 C ATOM 1265 C PRO X 76 83.184 -8.165 6.917 1.00 1.00 C ATOM 1266 O PRO X 76 83.459 -7.217 6.182 1.00 1.00 O ATOM 1267 CB PRO X 76 81.798 -9.861 5.686 1.00 1.00 C ATOM 1268 CG PRO X 76 80.458 -9.726 5.050 1.00 1.00 C ATOM 1269 CD PRO X 76 80.037 -8.277 5.251 1.00 1.00 C ATOM 0 HA PRO X 76 81.662 -9.298 7.819 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.593 -9.654 4.970 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.956 -10.875 6.054 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.503 -9.975 3.990 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.740 -10.407 5.507 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.346 -7.650 4.415 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.955 -8.182 5.338 1.00 1.00 H new ATOM 1277 N VAL X 77 84.034 -8.658 7.814 1.00 1.00 N ATOM 1278 CA VAL X 77 85.372 -8.097 7.986 1.00 1.00 C ATOM 1279 C VAL X 77 86.255 -8.403 6.778 1.00 1.00 C ATOM 1280 O VAL X 77 87.206 -7.674 6.492 1.00 1.00 O ATOM 1281 CB VAL X 77 86.023 -8.668 9.249 1.00 1.00 C ATOM 1282 CG1 VAL X 77 86.231 -10.175 9.087 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.375 -7.985 9.472 1.00 1.00 C ATOM 0 H VAL X 77 83.822 -9.442 8.431 1.00 1.00 H new ATOM 0 HA VAL X 77 85.273 -7.016 8.081 1.00 1.00 H new ATOM 0 HB VAL X 77 85.375 -8.487 10.106 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.694 -10.577 9.988 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.268 -10.660 8.927 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.879 -10.363 8.231 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.843 -8.388 10.370 1.00 1.00 H new ATOM 0 HG22 VAL X 77 88.021 -8.168 8.613 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.225 -6.912 9.591 1.00 1.00 H new ATOM 1293 N THR X 78 85.943 -9.490 6.082 1.00 1.00 N ATOM 1294 CA THR X 78 86.722 -9.893 4.915 1.00 1.00 C ATOM 1295 C THR X 78 86.968 -8.707 3.984 1.00 1.00 C ATOM 1296 O THR X 78 87.803 -8.778 3.081 1.00 1.00 O ATOM 1297 CB THR X 78 85.982 -10.996 4.155 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.813 -10.453 3.558 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.587 -12.115 5.121 1.00 1.00 C ATOM 0 H THR X 78 85.161 -10.106 6.303 1.00 1.00 H new ATOM 0 HA THR X 78 87.686 -10.266 5.260 1.00 1.00 H new ATOM 0 HB THR X 78 86.635 -11.402 3.382 1.00 1.00 H new ATOM 0 HG1 THR X 78 84.338 -11.157 3.069 1.00 1.00 H new ATOM 0 HG21 THR X 78 85.060 -12.898 4.575 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.483 -12.533 5.580 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.936 -11.713 5.897 1.00 1.00 H new ATOM 1307 N ALA X 79 86.240 -7.619 4.210 1.00 1.00 N ATOM 1308 CA ALA X 79 86.382 -6.424 3.387 1.00 1.00 C ATOM 1309 C ALA X 79 87.804 -5.874 3.483 1.00 1.00 C ATOM 1310 O ALA X 79 88.358 -5.375 2.504 1.00 1.00 O ATOM 1311 CB ALA X 79 85.376 -5.363 3.845 1.00 1.00 C ATOM 0 H ALA X 79 85.547 -7.540 4.954 1.00 1.00 H new ATOM 0 HA ALA X 79 86.184 -6.685 2.348 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.483 -4.470 3.229 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.364 -5.754 3.744 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.565 -5.109 4.888 1.00 1.00 H new ATOM 1317 N PHE X 80 88.385 -5.972 4.669 1.00 1.00 N ATOM 1318 CA PHE X 80 89.738 -5.486 4.895 1.00 1.00 C ATOM 1319 C PHE X 80 90.752 -6.209 4.002 1.00 1.00 C ATOM 1320 O PHE X 80 91.649 -5.589 3.432 1.00 1.00 O ATOM 1321 CB PHE X 80 90.104 -5.669 6.369 1.00 1.00 C ATOM 1322 CG PHE X 80 91.468 -5.079 6.618 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.624 -5.773 6.242 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.574 -3.820 7.223 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.885 -5.209 6.471 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.835 -3.256 7.451 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.990 -3.951 7.076 1.00 1.00 C ATOM 0 H PHE X 80 87.941 -6.384 5.490 1.00 1.00 H new ATOM 0 HA PHE X 80 89.771 -4.427 4.637 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.363 -5.182 7.003 1.00 1.00 H new ATOM 0 HB3 PHE X 80 90.100 -6.728 6.628 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.543 -6.744 5.775 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.683 -3.284 7.514 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.777 -5.745 6.181 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.916 -2.285 7.916 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.963 -3.517 7.253 1.00 1.00 H new ATOM 1337 N SER X 81 90.627 -7.520 3.897 1.00 1.00 N ATOM 1338 CA SER X 81 91.558 -8.299 3.077 1.00 1.00 C ATOM 1339 C SER X 81 91.477 -7.872 1.608 1.00 1.00 C ATOM 1340 O SER X 81 92.492 -7.534 0.962 1.00 1.00 O ATOM 1341 CB SER X 81 91.204 -9.778 3.188 1.00 1.00 C ATOM 1342 OG SER X 81 89.893 -9.986 2.676 1.00 1.00 O ATOM 0 H SER X 81 89.902 -8.068 4.360 1.00 1.00 H new ATOM 0 HA SER X 81 92.572 -8.123 3.436 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.924 -10.379 2.632 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.256 -10.099 4.228 1.00 1.00 H new ATOM 0 HG SER X 81 89.241 -9.536 3.253 1.00 1.00 H new ATOM 1348 N TYR X 82 90.261 -7.880 1.080 1.00 1.00 N ATOM 1349 CA TYR X 82 90.054 -7.496 -0.302 1.00 1.00 C ATOM 1350 C TYR X 82 90.574 -6.084 -0.529 1.00 1.00 C ATOM 1351 O TYR X 82 91.059 -5.754 -1.614 1.00 1.00 O ATOM 1352 CB TYR X 82 88.566 -7.577 -0.655 1.00 1.00 C ATOM 1353 CG TYR X 82 88.073 -9.002 -0.490 1.00 1.00 C ATOM 1354 CD1 TYR X 82 88.628 -10.028 -1.266 1.00 1.00 C ATOM 1355 CD2 TYR X 82 87.058 -9.292 0.429 1.00 1.00 C ATOM 1356 CE1 TYR X 82 88.166 -11.342 -1.122 1.00 1.00 C ATOM 1357 CE2 TYR X 82 86.597 -10.606 0.573 1.00 1.00 C ATOM 1358 CZ TYR X 82 87.151 -11.630 -0.203 1.00 1.00 C ATOM 1359 OH TYR X 82 86.695 -12.926 -0.059 1.00 1.00 O ATOM 0 H TYR X 82 89.415 -8.145 1.583 1.00 1.00 H new ATOM 0 HA TYR X 82 90.602 -8.182 -0.948 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.994 -6.908 -0.012 1.00 1.00 H new ATOM 0 HB3 TYR X 82 88.408 -7.245 -1.681 1.00 1.00 H new ATOM 0 HD1 TYR X 82 89.412 -9.806 -1.975 1.00 1.00 H new ATOM 0 HD2 TYR X 82 86.630 -8.501 1.028 1.00 1.00 H new ATOM 0 HE1 TYR X 82 88.593 -12.133 -1.720 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.814 -10.829 1.283 1.00 1.00 H new ATOM 0 HH TYR X 82 86.019 -13.113 -0.744 1.00 1.00 H new ATOM 1369 N TRP X 83 90.491 -5.258 0.507 1.00 1.00 N ATOM 1370 CA TRP X 83 90.975 -3.891 0.405 1.00 1.00 C ATOM 1371 C TRP X 83 92.463 -3.880 0.112 1.00 1.00 C ATOM 1372 O TRP X 83 92.950 -3.037 -0.642 1.00 1.00 O ATOM 1373 CB TRP X 83 90.702 -3.121 1.687 1.00 1.00 C ATOM 1374 CG TRP X 83 91.265 -1.742 1.577 1.00 1.00 C ATOM 1375 CD1 TRP X 83 91.152 -0.931 0.499 1.00 1.00 C ATOM 1376 CD2 TRP X 83 92.027 -0.997 2.570 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.797 0.264 0.769 1.00 1.00 N ATOM 1378 CE2 TRP X 83 92.352 0.270 2.034 1.00 1.00 C ATOM 1379 CE3 TRP X 83 92.464 -1.297 3.874 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 93.084 1.209 2.762 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 93.202 -0.355 4.611 1.00 1.00 C ATOM 1382 CH2 TRP X 83 93.511 0.894 4.056 1.00 1.00 C ATOM 0 H TRP X 83 90.098 -5.508 1.415 1.00 1.00 H new ATOM 0 HA TRP X 83 90.443 -3.406 -0.413 1.00 1.00 H new ATOM 0 HB2 TRP X 83 89.629 -3.072 1.871 1.00 1.00 H new ATOM 0 HB3 TRP X 83 91.148 -3.639 2.536 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.642 -1.176 -0.421 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.855 1.044 0.114 1.00 1.00 H new ATOM 0 HE3 TRP X 83 92.231 -2.257 4.311 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 93.319 2.171 2.330 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 93.533 -0.595 5.611 1.00 1.00 H new ATOM 0 HH2 TRP X 83 94.079 1.613 4.627 1.00 1.00 H new ATOM 1393 N ASN X 84 93.188 -4.818 0.705 1.00 1.00 N ATOM 1394 CA ASN X 84 94.616 -4.881 0.472 1.00 1.00 C ATOM 1395 C ASN X 84 94.867 -4.912 -1.020 1.00 1.00 C ATOM 1396 O ASN X 84 95.761 -4.232 -1.524 1.00 1.00 O ATOM 1397 CB ASN X 84 95.204 -6.136 1.104 1.00 1.00 C ATOM 1398 CG ASN X 84 96.698 -5.954 1.356 1.00 1.00 C ATOM 1399 OD1 ASN X 84 97.169 -4.841 1.589 1.00 1.00 O ATOM 1400 ND2 ASN X 84 97.474 -7.001 1.326 1.00 1.00 N ATOM 0 H ASN X 84 92.818 -5.529 1.336 1.00 1.00 H new ATOM 0 HA ASN X 84 95.090 -4.007 0.919 1.00 1.00 H new ATOM 0 HB2 ASN X 84 94.694 -6.351 2.043 1.00 1.00 H new ATOM 0 HB3 ASN X 84 95.041 -6.992 0.449 1.00 1.00 H new ATOM 0 HD21 ASN X 84 98.475 -6.899 1.496 1.00 1.00 H new ATOM 0 HD22 ASN X 84 97.081 -7.922 1.133 1.00 1.00 H new ATOM 1407 N LEU X 85 94.071 -5.695 -1.739 1.00 1.00 N ATOM 1408 CA LEU X 85 94.250 -5.761 -3.183 1.00 1.00 C ATOM 1409 C LEU X 85 93.960 -4.410 -3.833 1.00 1.00 C ATOM 1410 O LEU X 85 94.665 -4.000 -4.755 1.00 1.00 O ATOM 1411 CB LEU X 85 93.365 -6.831 -3.799 1.00 1.00 C ATOM 1412 CG LEU X 85 93.861 -8.213 -3.373 1.00 1.00 C ATOM 1413 CD1 LEU X 85 92.879 -9.254 -3.875 1.00 1.00 C ATOM 1414 CD2 LEU X 85 95.241 -8.509 -3.977 1.00 1.00 C ATOM 0 H LEU X 85 93.321 -6.274 -1.362 1.00 1.00 H new ATOM 0 HA LEU X 85 95.291 -6.023 -3.369 1.00 1.00 H new ATOM 0 HB2 LEU X 85 92.332 -6.690 -3.481 1.00 1.00 H new ATOM 0 HB3 LEU X 85 93.379 -6.747 -4.886 1.00 1.00 H new ATOM 0 HG LEU X 85 93.940 -8.240 -2.286 1.00 1.00 H new ATOM 0 HD11 LEU X 85 93.218 -10.247 -3.579 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.896 -9.064 -3.445 1.00 1.00 H new ATOM 0 HD13 LEU X 85 92.816 -9.201 -4.962 1.00 1.00 H new ATOM 0 HD21 LEU X 85 95.573 -9.498 -3.660 1.00 1.00 H new ATOM 0 HD22 LEU X 85 95.176 -8.480 -5.065 1.00 1.00 H new ATOM 0 HD23 LEU X 85 95.956 -7.760 -3.636 1.00 1.00 H new ATOM 1426 N ILE X 86 92.932 -3.716 -3.353 1.00 1.00 N ATOM 1427 CA ILE X 86 92.588 -2.413 -3.908 1.00 1.00 C ATOM 1428 C ILE X 86 93.735 -1.426 -3.697 1.00 1.00 C ATOM 1429 O ILE X 86 94.077 -0.663 -4.597 1.00 1.00 O ATOM 1430 CB ILE X 86 91.336 -1.895 -3.236 1.00 1.00 C ATOM 1431 CG1 ILE X 86 90.127 -2.745 -3.650 1.00 1.00 C ATOM 1432 CG2 ILE X 86 91.105 -0.435 -3.627 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.914 -2.374 -2.792 1.00 1.00 C ATOM 0 H ILE X 86 92.330 -4.029 -2.591 1.00 1.00 H new ATOM 0 HA ILE X 86 92.411 -2.518 -4.978 1.00 1.00 H new ATOM 0 HB ILE X 86 91.460 -1.960 -2.155 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.901 -2.584 -4.704 1.00 1.00 H new ATOM 0 HG13 ILE X 86 90.358 -3.804 -3.532 1.00 1.00 H new ATOM 0 HG21 ILE X 86 90.202 -0.067 -3.140 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.958 0.166 -3.311 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.990 -0.362 -4.708 1.00 1.00 H new ATOM 0 HD11 ILE X 86 88.059 -2.980 -3.090 1.00 1.00 H new ATOM 0 HD12 ILE X 86 89.141 -2.558 -1.742 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.678 -1.319 -2.933 1.00 1.00 H new ATOM 1445 N LYS X 87 94.326 -1.442 -2.506 1.00 1.00 N ATOM 1446 CA LYS X 87 95.434 -0.538 -2.213 1.00 1.00 C ATOM 1447 C LYS X 87 96.552 -0.759 -3.212 1.00 1.00 C ATOM 1448 O LYS X 87 97.157 0.190 -3.706 1.00 1.00 O ATOM 1449 CB LYS X 87 95.973 -0.809 -0.811 1.00 1.00 C ATOM 1450 CG LYS X 87 94.914 -0.438 0.214 1.00 1.00 C ATOM 1451 CD LYS X 87 95.482 -0.620 1.623 1.00 1.00 C ATOM 1452 CE LYS X 87 96.236 0.642 2.058 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.639 0.505 3.487 1.00 1.00 N ATOM 0 H LYS X 87 94.062 -2.060 -1.739 1.00 1.00 H new ATOM 0 HA LYS X 87 95.073 0.488 -2.277 1.00 1.00 H new ATOM 0 HB2 LYS X 87 96.242 -1.860 -0.709 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.880 -0.230 -0.639 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.598 0.595 0.068 1.00 1.00 H new ATOM 0 HG3 LYS X 87 94.031 -1.063 0.083 1.00 1.00 H new ATOM 0 HD2 LYS X 87 94.674 -0.829 2.324 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.153 -1.479 1.644 1.00 1.00 H new ATOM 0 HE2 LYS X 87 97.116 0.788 1.432 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.604 1.520 1.929 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 97.318 1.255 3.730 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.799 0.589 4.094 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 97.082 -0.424 3.635 1.00 1.00 H new ATOM 1467 N GLU X 88 96.812 -2.019 -3.505 1.00 1.00 N ATOM 1468 CA GLU X 88 97.853 -2.367 -4.449 1.00 1.00 C ATOM 1469 C GLU X 88 97.543 -1.786 -5.822 1.00 1.00 C ATOM 1470 O GLU X 88 98.450 -1.367 -6.541 1.00 1.00 O ATOM 1471 CB GLU X 88 97.996 -3.896 -4.543 1.00 1.00 C ATOM 1472 CG GLU X 88 98.625 -4.430 -3.252 1.00 1.00 C ATOM 1473 CD GLU X 88 98.695 -5.953 -3.296 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.314 -6.514 -4.310 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.117 -6.535 -2.311 1.00 1.00 O ATOM 0 H GLU X 88 96.317 -2.816 -3.103 1.00 1.00 H new ATOM 0 HA GLU X 88 98.794 -1.945 -4.097 1.00 1.00 H new ATOM 0 HB2 GLU X 88 97.020 -4.354 -4.701 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.616 -4.162 -5.399 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.625 -4.015 -3.127 1.00 1.00 H new ATOM 0 HG3 GLU X 88 98.037 -4.110 -2.392 1.00 1.00 H new ATOM 1482 N LEU X 89 96.265 -1.770 -6.192 1.00 1.00 N ATOM 1483 CA LEU X 89 95.886 -1.242 -7.499 1.00 1.00 C ATOM 1484 C LEU X 89 95.907 0.288 -7.519 1.00 1.00 C ATOM 1485 O LEU X 89 96.446 0.894 -8.445 1.00 1.00 O ATOM 1486 CB LEU X 89 94.494 -1.738 -7.887 1.00 1.00 C ATOM 1487 CG LEU X 89 94.188 -1.354 -9.342 1.00 1.00 C ATOM 1488 CD1 LEU X 89 95.136 -2.084 -10.302 1.00 1.00 C ATOM 1489 CD2 LEU X 89 92.753 -1.755 -9.657 1.00 1.00 C ATOM 0 H LEU X 89 95.491 -2.108 -5.621 1.00 1.00 H new ATOM 0 HA LEU X 89 96.619 -1.602 -8.221 1.00 1.00 H new ATOM 0 HB2 LEU X 89 94.438 -2.820 -7.768 1.00 1.00 H new ATOM 0 HB3 LEU X 89 93.746 -1.305 -7.223 1.00 1.00 H new ATOM 0 HG LEU X 89 94.324 -0.280 -9.467 1.00 1.00 H new ATOM 0 HD11 LEU X 89 94.904 -1.800 -11.328 1.00 1.00 H new ATOM 0 HD12 LEU X 89 96.166 -1.811 -10.074 1.00 1.00 H new ATOM 0 HD13 LEU X 89 95.012 -3.161 -10.187 1.00 1.00 H new ATOM 0 HD21 LEU X 89 92.519 -1.489 -10.688 1.00 1.00 H new ATOM 0 HD22 LEU X 89 92.638 -2.831 -9.525 1.00 1.00 H new ATOM 0 HD23 LEU X 89 92.073 -1.232 -8.984 1.00 1.00 H new ATOM 1501 N ILE X 90 95.298 0.909 -6.507 1.00 1.00 N ATOM 1502 CA ILE X 90 95.238 2.363 -6.442 1.00 1.00 C ATOM 1503 C ILE X 90 96.635 2.955 -6.315 1.00 1.00 C ATOM 1504 O ILE X 90 96.959 3.952 -6.960 1.00 1.00 O ATOM 1505 CB ILE X 90 94.374 2.783 -5.248 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.937 2.343 -5.506 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.401 4.306 -5.087 1.00 1.00 C ATOM 1508 CD1 ILE X 90 92.093 2.563 -4.253 1.00 1.00 C ATOM 0 H ILE X 90 94.844 0.429 -5.730 1.00 1.00 H new ATOM 0 HA ILE X 90 94.793 2.740 -7.363 1.00 1.00 H new ATOM 0 HB ILE X 90 94.762 2.319 -4.341 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.519 2.907 -6.340 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.915 1.291 -5.790 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.784 4.593 -4.236 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.426 4.636 -4.919 1.00 1.00 H new ATOM 0 HG23 ILE X 90 94.012 4.774 -5.991 1.00 1.00 H new ATOM 0 HD11 ILE X 90 91.068 2.246 -4.445 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.505 1.979 -3.430 1.00 1.00 H new ATOM 0 HD13 ILE X 90 92.103 3.620 -3.989 1.00 1.00 H new ATOM 1520 N ASP X 91 97.453 2.344 -5.475 1.00 1.00 N ATOM 1521 CA ASP X 91 98.811 2.831 -5.266 1.00 1.00 C ATOM 1522 C ASP X 91 99.618 2.794 -6.566 1.00 1.00 C ATOM 1523 O ASP X 91 100.286 3.767 -6.915 1.00 1.00 O ATOM 1524 CB ASP X 91 99.524 1.975 -4.216 1.00 1.00 C ATOM 1525 CG ASP X 91 99.110 2.412 -2.815 1.00 1.00 C ATOM 1526 OD1 ASP X 91 99.033 3.608 -2.587 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.868 1.544 -1.992 1.00 1.00 O ATOM 0 H ASP X 91 97.207 1.518 -4.930 1.00 1.00 H new ATOM 0 HA ASP X 91 98.742 3.863 -4.921 1.00 1.00 H new ATOM 0 HB2 ASP X 91 99.278 0.924 -4.365 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.604 2.069 -4.331 1.00 1.00 H new ATOM 1532 N LYS X 92 99.559 1.668 -7.276 1.00 1.00 N ATOM 1533 CA LYS X 92 100.300 1.525 -8.531 1.00 1.00 C ATOM 1534 C LYS X 92 99.788 2.494 -9.590 1.00 1.00 C ATOM 1535 O LYS X 92 100.574 3.140 -10.285 1.00 1.00 O ATOM 1536 CB LYS X 92 100.173 0.094 -9.054 1.00 1.00 C ATOM 1537 CG LYS X 92 100.990 -0.854 -8.173 1.00 1.00 C ATOM 1538 CD LYS X 92 100.811 -2.289 -8.671 1.00 1.00 C ATOM 1539 CE LYS X 92 101.509 -3.257 -7.715 1.00 1.00 C ATOM 1540 NZ LYS X 92 102.984 -3.047 -7.777 1.00 1.00 N ATOM 0 H LYS X 92 99.013 0.849 -7.009 1.00 1.00 H new ATOM 0 HA LYS X 92 101.346 1.754 -8.327 1.00 1.00 H new ATOM 0 HB2 LYS X 92 99.126 -0.210 -9.058 1.00 1.00 H new ATOM 0 HB3 LYS X 92 100.524 0.041 -10.084 1.00 1.00 H new ATOM 0 HG2 LYS X 92 102.044 -0.576 -8.200 1.00 1.00 H new ATOM 0 HG3 LYS X 92 100.666 -0.774 -7.135 1.00 1.00 H new ATOM 0 HD2 LYS X 92 99.750 -2.531 -8.739 1.00 1.00 H new ATOM 0 HD3 LYS X 92 101.226 -2.391 -9.674 1.00 1.00 H new ATOM 0 HE2 LYS X 92 101.152 -3.099 -6.697 1.00 1.00 H new ATOM 0 HE3 LYS X 92 101.267 -4.286 -7.982 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 103.467 -3.829 -7.290 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 103.289 -3.017 -8.771 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 103.226 -2.148 -7.313 1.00 1.00 H new ATOM 1554 N LYS X 93 98.470 2.584 -9.711 1.00 1.00 N ATOM 1555 CA LYS X 93 97.856 3.472 -10.692 1.00 1.00 C ATOM 1556 C LYS X 93 96.602 4.115 -10.119 1.00 1.00 C ATOM 1557 O LYS X 93 96.070 3.653 -9.113 1.00 1.00 O ATOM 1558 CB LYS X 93 97.488 2.694 -11.958 1.00 1.00 C ATOM 1559 CG LYS X 93 98.758 2.255 -12.685 1.00 1.00 C ATOM 1560 CD LYS X 93 98.375 1.487 -13.951 1.00 1.00 C ATOM 1561 CE LYS X 93 99.642 0.999 -14.655 1.00 1.00 C ATOM 1562 NZ LYS X 93 100.400 2.171 -15.178 1.00 1.00 N ATOM 0 H LYS X 93 97.807 2.055 -9.145 1.00 1.00 H new ATOM 0 HA LYS X 93 98.578 4.250 -10.941 1.00 1.00 H new ATOM 0 HB2 LYS X 93 96.887 1.822 -11.698 1.00 1.00 H new ATOM 0 HB3 LYS X 93 96.879 3.316 -12.614 1.00 1.00 H new ATOM 0 HG2 LYS X 93 99.363 3.125 -12.942 1.00 1.00 H new ATOM 0 HG3 LYS X 93 99.365 1.626 -12.034 1.00 1.00 H new ATOM 0 HD2 LYS X 93 97.738 0.640 -13.696 1.00 1.00 H new ATOM 0 HD3 LYS X 93 97.800 2.129 -14.618 1.00 1.00 H new ATOM 0 HE2 LYS X 93 100.262 0.432 -13.961 1.00 1.00 H new ATOM 0 HE3 LYS X 93 99.381 0.326 -15.472 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 101.100 1.848 -15.876 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 99.741 2.837 -15.630 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 100.889 2.647 -14.393 1.00 1.00 H new ATOM 1576 N GLU X 94 96.142 5.179 -10.773 1.00 1.00 N ATOM 1577 CA GLU X 94 94.945 5.893 -10.338 1.00 1.00 C ATOM 1578 C GLU X 94 95.294 6.902 -9.248 1.00 1.00 C ATOM 1579 O GLU X 94 94.432 7.313 -8.472 1.00 1.00 O ATOM 1580 CB GLU X 94 93.897 4.907 -9.805 1.00 1.00 C ATOM 1581 CG GLU X 94 92.493 5.491 -9.984 1.00 1.00 C ATOM 1582 CD GLU X 94 91.455 4.495 -9.477 1.00 1.00 C ATOM 1583 OE1 GLU X 94 91.810 3.340 -9.307 1.00 1.00 O ATOM 1584 OE2 GLU X 94 90.323 4.899 -9.266 1.00 1.00 O ATOM 0 H GLU X 94 96.582 5.566 -11.608 1.00 1.00 H new ATOM 0 HA GLU X 94 94.534 6.422 -11.198 1.00 1.00 H new ATOM 0 HB2 GLU X 94 93.976 3.958 -10.335 1.00 1.00 H new ATOM 0 HB3 GLU X 94 94.083 4.700 -8.751 1.00 1.00 H new ATOM 0 HG2 GLU X 94 92.407 6.431 -9.438 1.00 1.00 H new ATOM 0 HG3 GLU X 94 92.313 5.715 -11.035 1.00 1.00 H new ATOM 1591 N VAL X 95 96.566 7.298 -9.202 1.00 1.00 N ATOM 1592 CA VAL X 95 97.030 8.265 -8.207 1.00 1.00 C ATOM 1593 C VAL X 95 97.687 9.462 -8.883 1.00 1.00 C ATOM 1594 O VAL X 95 98.519 9.305 -9.776 1.00 1.00 O ATOM 1595 CB VAL X 95 98.029 7.604 -7.256 1.00 1.00 C ATOM 1596 CG1 VAL X 95 98.762 8.683 -6.456 1.00 1.00 C ATOM 1597 CG2 VAL X 95 97.277 6.687 -6.291 1.00 1.00 C ATOM 0 H VAL X 95 97.290 6.966 -9.839 1.00 1.00 H new ATOM 0 HA VAL X 95 96.165 8.612 -7.641 1.00 1.00 H new ATOM 0 HB VAL X 95 98.749 7.023 -7.832 1.00 1.00 H new ATOM 0 HG11 VAL X 95 99.474 8.213 -5.778 1.00 1.00 H new ATOM 0 HG12 VAL X 95 99.294 9.344 -7.140 1.00 1.00 H new ATOM 0 HG13 VAL X 95 98.040 9.262 -5.880 1.00 1.00 H new ATOM 0 HG21 VAL X 95 97.986 6.214 -5.612 1.00 1.00 H new ATOM 0 HG22 VAL X 95 96.560 7.273 -5.717 1.00 1.00 H new ATOM 0 HG23 VAL X 95 96.749 5.919 -6.856 1.00 1.00 H new ATOM 1607 N ASN X 96 97.308 10.660 -8.448 1.00 1.00 N ATOM 1608 CA ASN X 96 97.865 11.881 -9.016 1.00 1.00 C ATOM 1609 C ASN X 96 97.817 11.832 -10.541 1.00 1.00 C ATOM 1610 O ASN X 96 98.838 11.628 -11.200 1.00 1.00 O ATOM 1611 CB ASN X 96 99.312 12.062 -8.553 1.00 1.00 C ATOM 1612 CG ASN X 96 99.864 13.382 -9.080 1.00 1.00 C ATOM 1613 OD1 ASN X 96 100.684 13.391 -9.998 1.00 1.00 O ATOM 1614 ND2 ASN X 96 99.461 14.505 -8.549 1.00 1.00 N ATOM 0 H ASN X 96 96.622 10.810 -7.709 1.00 1.00 H new ATOM 0 HA ASN X 96 97.267 12.725 -8.672 1.00 1.00 H new ATOM 0 HB2 ASN X 96 99.359 12.047 -7.464 1.00 1.00 H new ATOM 0 HB3 ASN X 96 99.924 11.233 -8.910 1.00 1.00 H new ATOM 0 HD21 ASN X 96 99.826 15.393 -8.895 1.00 1.00 H new ATOM 0 HD22 ASN X 96 98.781 14.495 -7.788 1.00 1.00 H new ATOM 1621 N PRO X 97 96.656 12.017 -11.107 1.00 1.00 N ATOM 1622 CA PRO X 97 96.458 12.000 -12.589 1.00 1.00 C ATOM 1623 C PRO X 97 97.293 13.063 -13.294 1.00 1.00 C ATOM 1624 O PRO X 97 97.546 14.135 -12.744 1.00 1.00 O ATOM 1625 CB PRO X 97 94.961 12.277 -12.772 1.00 1.00 C ATOM 1626 CG PRO X 97 94.331 11.979 -11.453 1.00 1.00 C ATOM 1627 CD PRO X 97 95.395 12.261 -10.397 1.00 1.00 C ATOM 0 HA PRO X 97 96.774 11.052 -13.025 1.00 1.00 H new ATOM 0 HB2 PRO X 97 94.787 13.313 -13.064 1.00 1.00 H new ATOM 0 HB3 PRO X 97 94.540 11.650 -13.558 1.00 1.00 H new ATOM 0 HG2 PRO X 97 93.450 12.601 -11.293 1.00 1.00 H new ATOM 0 HG3 PRO X 97 94.001 10.941 -11.405 1.00 1.00 H new ATOM 0 HD2 PRO X 97 95.333 13.285 -10.029 1.00 1.00 H new ATOM 0 HD3 PRO X 97 95.287 11.605 -9.533 1.00 1.00 H new ATOM 1635 N GLN X 98 97.724 12.755 -14.513 1.00 1.00 N ATOM 1636 CA GLN X 98 98.537 13.687 -15.283 1.00 1.00 C ATOM 1637 C GLN X 98 97.740 14.946 -15.614 1.00 1.00 C ATOM 1638 O GLN X 98 98.271 16.056 -15.562 1.00 1.00 O ATOM 1639 CB GLN X 98 99.011 13.021 -16.577 1.00 1.00 C ATOM 1640 CG GLN X 98 100.033 13.922 -17.271 1.00 1.00 C ATOM 1641 CD GLN X 98 100.580 13.230 -18.514 1.00 1.00 C ATOM 1642 OE1 GLN X 98 100.379 12.027 -18.694 1.00 1.00 O ATOM 1643 NE2 GLN X 98 101.272 13.914 -19.383 1.00 1.00 N ATOM 0 H GLN X 98 97.525 11.873 -14.986 1.00 1.00 H new ATOM 0 HA GLN X 98 99.403 13.968 -14.683 1.00 1.00 H new ATOM 0 HB2 GLN X 98 99.456 12.051 -16.357 1.00 1.00 H new ATOM 0 HB3 GLN X 98 98.163 12.840 -17.237 1.00 1.00 H new ATOM 0 HG2 GLN X 98 99.568 14.868 -17.547 1.00 1.00 H new ATOM 0 HG3 GLN X 98 100.848 14.155 -16.586 1.00 1.00 H new ATOM 0 HE21 GLN X 98 101.438 14.909 -19.233 1.00 1.00 H new ATOM 0 HE22 GLN X 98 101.647 13.454 -20.212 1.00 1.00 H new ATOM 1652 N VAL X 99 96.465 14.765 -15.952 1.00 1.00 N ATOM 1653 CA VAL X 99 95.600 15.891 -16.291 1.00 1.00 C ATOM 1654 C VAL X 99 94.327 15.859 -15.450 1.00 1.00 C ATOM 1655 O VAL X 99 93.684 14.817 -15.320 1.00 1.00 O ATOM 1656 CB VAL X 99 95.237 15.841 -17.775 1.00 1.00 C ATOM 1657 CG1 VAL X 99 94.135 16.861 -18.069 1.00 1.00 C ATOM 1658 CG2 VAL X 99 96.475 16.171 -18.609 1.00 1.00 C ATOM 0 H VAL X 99 96.010 13.853 -15.998 1.00 1.00 H new ATOM 0 HA VAL X 99 96.137 16.816 -16.081 1.00 1.00 H new ATOM 0 HB VAL X 99 94.880 14.843 -18.029 1.00 1.00 H new ATOM 0 HG11 VAL X 99 93.878 16.824 -19.128 1.00 1.00 H new ATOM 0 HG12 VAL X 99 93.253 16.626 -17.473 1.00 1.00 H new ATOM 0 HG13 VAL X 99 94.488 17.861 -17.816 1.00 1.00 H new ATOM 0 HG21 VAL X 99 96.220 16.136 -19.668 1.00 1.00 H new ATOM 0 HG22 VAL X 99 96.830 17.169 -18.354 1.00 1.00 H new ATOM 0 HG23 VAL X 99 97.259 15.443 -18.401 1.00 1.00 H new ATOM 1668 N MET X 100 93.969 17.006 -14.878 1.00 1.00 N ATOM 1669 CA MET X 100 92.771 17.096 -14.050 1.00 1.00 C ATOM 1670 C MET X 100 91.599 17.632 -14.868 1.00 1.00 C ATOM 1671 O MET X 100 91.142 16.921 -15.749 1.00 1.00 O ATOM 1672 CB MET X 100 93.033 18.026 -12.862 1.00 1.00 C ATOM 1673 CG MET X 100 94.161 17.453 -11.996 1.00 1.00 C ATOM 1674 SD MET X 100 93.640 15.881 -11.252 1.00 1.00 S ATOM 1675 CE MET X 100 92.541 16.548 -9.971 1.00 1.00 C ATOM 1676 OXT MET X 100 91.177 18.745 -14.603 1.00 1.00 O ATOM 0 H MET X 100 94.487 17.879 -14.972 1.00 1.00 H new ATOM 0 HA MET X 100 92.522 16.099 -13.686 1.00 1.00 H new ATOM 0 HB2 MET X 100 93.304 19.020 -13.219 1.00 1.00 H new ATOM 0 HB3 MET X 100 92.126 18.137 -12.268 1.00 1.00 H new ATOM 0 HG2 MET X 100 95.053 17.299 -12.603 1.00 1.00 H new ATOM 0 HG3 MET X 100 94.426 18.164 -11.214 1.00 1.00 H new ATOM 0 HE1 MET X 100 92.850 16.173 -8.995 1.00 1.00 H new ATOM 0 HE2 MET X 100 92.596 17.637 -9.975 1.00 1.00 H new ATOM 0 HE3 MET X 100 91.516 16.235 -10.172 1.00 1.00 H new TER 1686 MET X 100