USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 GLN : amide:sc= -0.975 K(o=-0.98,f=-0.43) USER MOD Set 1.2: A 45 MET CE :methyl -123:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 GLN : amide:sc= -3.14 X(o=-3.1,f=-3.2!) USER MOD Set 2.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0099) USER MOD Single : A 1 MET N :NH3+ 175:sc= -1.26 (180deg=-1.48) USER MOD Single : A 5 ASN : amide:sc= -1.83! K(o=-1.8!,f=-1.3) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.213 K(o=-0.21,f=-0.97) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -47:sc= 1 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.16) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.549 (180deg=-2.51!) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc=-0.00504 (180deg=-0.0331) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1.1) USER MOD Single : A 56 TYR OH : rot -158:sc= -0.13 USER MOD Single : A 62 CYS SG : rot 74:sc= -3! USER MOD Single : A 63 TYR OH : rot 180:sc= -1.98 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.11 K(o=-0.11,f=-4.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= -1.08 (180deg=-1.8) USER MOD Single : A 107 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-3.1!) USER MOD Single : A 108 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-0.95) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 110 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.95) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 112 HIS : no HE2:sc= -0.311 K(o=-0.31,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.987 -8.667 0.026 1.00 1.00 N ATOM 2 CA MET A 1 22.917 -9.143 0.946 1.00 1.00 C ATOM 3 C MET A 1 22.453 -7.980 1.817 1.00 1.00 C ATOM 4 O MET A 1 21.319 -7.966 2.296 1.00 1.00 O ATOM 5 CB MET A 1 23.466 -10.271 1.823 1.00 1.00 C ATOM 6 CG MET A 1 24.693 -9.771 2.593 1.00 1.00 C ATOM 7 SD MET A 1 25.465 -11.151 3.477 1.00 1.00 S ATOM 8 CE MET A 1 24.383 -11.148 4.929 1.00 1.00 C ATOM 0 H1 MET A 1 24.367 -9.473 -0.511 1.00 1.00 H new ATOM 0 H2 MET A 1 23.592 -7.967 -0.633 1.00 1.00 H new ATOM 0 H3 MET A 1 24.751 -8.229 0.579 1.00 1.00 H new ATOM 0 HA MET A 1 22.072 -9.520 0.371 1.00 1.00 H new ATOM 0 HB2 MET A 1 22.699 -10.610 2.520 1.00 1.00 H new ATOM 0 HB3 MET A 1 23.736 -11.128 1.205 1.00 1.00 H new ATOM 0 HG2 MET A 1 25.409 -9.322 1.904 1.00 1.00 H new ATOM 0 HG3 MET A 1 24.399 -8.994 3.298 1.00 1.00 H new ATOM 0 HE1 MET A 1 24.724 -11.902 5.638 1.00 1.00 H new ATOM 0 HE2 MET A 1 24.411 -10.166 5.402 1.00 1.00 H new ATOM 0 HE3 MET A 1 23.362 -11.374 4.622 1.00 1.00 H new ATOM 20 N VAL A 2 23.337 -7.007 2.015 1.00 1.00 N ATOM 21 CA VAL A 2 23.012 -5.843 2.829 1.00 1.00 C ATOM 22 C VAL A 2 21.925 -5.007 2.158 1.00 1.00 C ATOM 23 O VAL A 2 21.144 -4.335 2.832 1.00 1.00 O ATOM 24 CB VAL A 2 24.259 -4.979 3.045 1.00 1.00 C ATOM 25 CG1 VAL A 2 25.323 -5.779 3.802 1.00 1.00 C ATOM 26 CG2 VAL A 2 24.820 -4.541 1.689 1.00 1.00 C ATOM 0 H VAL A 2 24.279 -7.002 1.625 1.00 1.00 H new ATOM 0 HA VAL A 2 22.646 -6.195 3.794 1.00 1.00 H new ATOM 0 HB VAL A 2 23.987 -4.100 3.629 1.00 1.00 H new ATOM 0 HG11 VAL A 2 26.207 -5.159 3.952 1.00 1.00 H new ATOM 0 HG12 VAL A 2 24.927 -6.086 4.770 1.00 1.00 H new ATOM 0 HG13 VAL A 2 25.594 -6.662 3.224 1.00 1.00 H new ATOM 0 HG21 VAL A 2 25.707 -3.926 1.844 1.00 1.00 H new ATOM 0 HG22 VAL A 2 25.086 -5.421 1.104 1.00 1.00 H new ATOM 0 HG23 VAL A 2 24.067 -3.963 1.153 1.00 1.00 H new ATOM 36 N ASP A 3 21.874 -5.052 0.831 1.00 1.00 N ATOM 37 CA ASP A 3 20.881 -4.294 0.080 1.00 1.00 C ATOM 38 C ASP A 3 19.479 -4.769 0.427 1.00 1.00 C ATOM 39 O ASP A 3 18.564 -3.966 0.601 1.00 1.00 O ATOM 40 CB ASP A 3 21.128 -4.465 -1.425 1.00 1.00 C ATOM 41 CG ASP A 3 22.411 -3.744 -1.830 1.00 1.00 C ATOM 42 OD1 ASP A 3 22.913 -2.971 -1.030 1.00 1.00 O ATOM 43 OD2 ASP A 3 22.874 -3.976 -2.935 1.00 1.00 O ATOM 0 H ASP A 3 22.508 -5.605 0.254 1.00 1.00 H new ATOM 0 HA ASP A 3 20.970 -3.240 0.345 1.00 1.00 H new ATOM 0 HB2 ASP A 3 21.203 -5.524 -1.671 1.00 1.00 H new ATOM 0 HB3 ASP A 3 20.284 -4.066 -1.988 1.00 1.00 H new ATOM 48 N GLN A 4 19.317 -6.085 0.527 1.00 1.00 N ATOM 49 CA GLN A 4 18.021 -6.682 0.858 1.00 1.00 C ATOM 50 C GLN A 4 18.209 -7.797 1.881 1.00 1.00 C ATOM 51 O GLN A 4 18.691 -8.883 1.562 1.00 1.00 O ATOM 52 CB GLN A 4 17.359 -7.251 -0.403 1.00 1.00 C ATOM 53 CG GLN A 4 17.074 -6.118 -1.398 1.00 1.00 C ATOM 54 CD GLN A 4 15.991 -5.195 -0.847 1.00 1.00 C ATOM 55 OE1 GLN A 4 16.170 -3.977 -0.810 1.00 1.00 O ATOM 56 NE2 GLN A 4 14.871 -5.707 -0.413 1.00 1.00 N ATOM 0 H GLN A 4 20.067 -6.762 0.384 1.00 1.00 H new ATOM 0 HA GLN A 4 17.379 -5.908 1.278 1.00 1.00 H new ATOM 0 HB2 GLN A 4 18.010 -7.995 -0.862 1.00 1.00 H new ATOM 0 HB3 GLN A 4 16.431 -7.758 -0.140 1.00 1.00 H new ATOM 0 HG2 GLN A 4 17.986 -5.550 -1.585 1.00 1.00 H new ATOM 0 HG3 GLN A 4 16.756 -6.535 -2.354 1.00 1.00 H new ATOM 0 HE21 GLN A 4 14.725 -6.716 -0.445 1.00 1.00 H new ATOM 0 HE22 GLN A 4 14.142 -5.098 -0.042 1.00 1.00 H new ATOM 65 N ASN A 5 17.821 -7.514 3.120 1.00 1.00 N ATOM 66 CA ASN A 5 17.940 -8.488 4.203 1.00 1.00 C ATOM 67 C ASN A 5 16.702 -9.390 4.316 1.00 1.00 C ATOM 68 O ASN A 5 16.838 -10.553 4.698 1.00 1.00 O ATOM 69 CB ASN A 5 18.154 -7.760 5.536 1.00 1.00 C ATOM 70 CG ASN A 5 18.689 -8.733 6.582 1.00 1.00 C ATOM 71 OD1 ASN A 5 19.120 -8.317 7.654 1.00 1.00 O ATOM 72 ND2 ASN A 5 18.684 -10.017 6.328 1.00 1.00 N ATOM 0 H ASN A 5 17.421 -6.619 3.401 1.00 1.00 H new ATOM 0 HA ASN A 5 18.796 -9.122 3.972 1.00 1.00 H new ATOM 0 HB2 ASN A 5 18.855 -6.936 5.401 1.00 1.00 H new ATOM 0 HB3 ASN A 5 17.214 -7.326 5.878 1.00 1.00 H new ATOM 0 HD21 ASN A 5 19.039 -10.675 7.022 1.00 1.00 H new ATOM 0 HD22 ASN A 5 18.325 -10.359 5.437 1.00 1.00 H new ATOM 79 N PRO A 6 15.531 -8.898 4.015 1.00 1.00 N ATOM 80 CA PRO A 6 14.290 -9.713 4.108 1.00 1.00 C ATOM 81 C PRO A 6 14.064 -10.563 2.861 1.00 1.00 C ATOM 82 O PRO A 6 12.999 -10.516 2.246 1.00 1.00 O ATOM 83 CB PRO A 6 13.178 -8.653 4.302 1.00 1.00 C ATOM 84 CG PRO A 6 13.706 -7.379 3.691 1.00 1.00 C ATOM 85 CD PRO A 6 15.236 -7.527 3.554 1.00 1.00 C ATOM 0 HA PRO A 6 14.324 -10.440 4.920 1.00 1.00 H new ATOM 0 HB2 PRO A 6 12.253 -8.964 3.816 1.00 1.00 H new ATOM 0 HB3 PRO A 6 12.952 -8.514 5.359 1.00 1.00 H new ATOM 0 HG2 PRO A 6 13.249 -7.204 2.717 1.00 1.00 H new ATOM 0 HG3 PRO A 6 13.459 -6.522 4.318 1.00 1.00 H new ATOM 0 HD2 PRO A 6 15.556 -7.380 2.522 1.00 1.00 H new ATOM 0 HD3 PRO A 6 15.760 -6.786 4.158 1.00 1.00 H new ATOM 93 N GLU A 7 15.051 -11.359 2.468 1.00 1.00 N ATOM 94 CA GLU A 7 14.934 -12.209 1.297 1.00 1.00 C ATOM 95 C GLU A 7 14.020 -13.388 1.583 1.00 1.00 C ATOM 96 O GLU A 7 13.163 -13.720 0.766 1.00 1.00 O ATOM 97 CB GLU A 7 16.321 -12.707 0.880 1.00 1.00 C ATOM 98 CG GLU A 7 17.160 -11.528 0.373 1.00 1.00 C ATOM 99 CD GLU A 7 18.568 -11.999 0.017 1.00 1.00 C ATOM 100 OE1 GLU A 7 19.116 -12.790 0.768 1.00 1.00 O ATOM 101 OE2 GLU A 7 19.080 -11.557 -0.998 1.00 1.00 O ATOM 0 H GLU A 7 15.947 -11.431 2.950 1.00 1.00 H new ATOM 0 HA GLU A 7 14.501 -11.628 0.483 1.00 1.00 H new ATOM 0 HB2 GLU A 7 16.817 -13.182 1.726 1.00 1.00 H new ATOM 0 HB3 GLU A 7 16.228 -13.462 0.100 1.00 1.00 H new ATOM 0 HG2 GLU A 7 16.685 -11.083 -0.502 1.00 1.00 H new ATOM 0 HG3 GLU A 7 17.210 -10.752 1.137 1.00 1.00 H new ATOM 108 N GLU A 8 14.202 -14.011 2.743 1.00 1.00 N ATOM 109 CA GLU A 8 13.380 -15.152 3.131 1.00 1.00 C ATOM 110 C GLU A 8 11.950 -14.708 3.451 1.00 1.00 C ATOM 111 O GLU A 8 10.984 -15.434 3.219 1.00 1.00 O ATOM 112 CB GLU A 8 13.997 -15.852 4.353 1.00 1.00 C ATOM 113 CG GLU A 8 15.385 -16.392 3.990 1.00 1.00 C ATOM 114 CD GLU A 8 15.259 -17.519 2.969 1.00 1.00 C ATOM 115 OE1 GLU A 8 14.179 -18.076 2.865 1.00 1.00 O ATOM 116 OE2 GLU A 8 16.241 -17.802 2.301 1.00 1.00 O ATOM 0 H GLU A 8 14.909 -13.746 3.429 1.00 1.00 H new ATOM 0 HA GLU A 8 13.345 -15.851 2.295 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.074 -15.152 5.185 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.353 -16.668 4.681 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.001 -15.590 3.583 1.00 1.00 H new ATOM 0 HG3 GLU A 8 15.887 -16.757 4.886 1.00 1.00 H new ATOM 123 N TYR A 9 11.819 -13.507 4.006 1.00 1.00 N ATOM 124 CA TYR A 9 10.515 -12.963 4.389 1.00 1.00 C ATOM 125 C TYR A 9 9.557 -13.035 3.225 1.00 1.00 C ATOM 126 O TYR A 9 8.340 -13.045 3.411 1.00 1.00 O ATOM 127 CB TYR A 9 10.689 -11.512 4.853 1.00 1.00 C ATOM 128 CG TYR A 9 11.510 -11.443 6.145 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.239 -12.563 6.632 1.00 1.00 C ATOM 130 CD2 TYR A 9 11.552 -10.240 6.874 1.00 1.00 C ATOM 131 CE1 TYR A 9 12.972 -12.479 7.786 1.00 1.00 C ATOM 132 CE2 TYR A 9 12.313 -10.173 8.054 1.00 1.00 C ATOM 133 CZ TYR A 9 13.020 -11.293 8.503 1.00 1.00 C ATOM 134 OH TYR A 9 13.754 -11.227 9.666 1.00 1.00 O ATOM 0 H TYR A 9 12.604 -12.886 4.203 1.00 1.00 H new ATOM 0 HA TYR A 9 10.101 -13.553 5.207 1.00 1.00 H new ATOM 0 HB2 TYR A 9 11.183 -10.934 4.072 1.00 1.00 H new ATOM 0 HB3 TYR A 9 9.711 -11.058 5.015 1.00 1.00 H new ATOM 0 HD1 TYR A 9 12.214 -13.493 6.084 1.00 1.00 H new ATOM 0 HD2 TYR A 9 11.004 -9.375 6.530 1.00 1.00 H new ATOM 0 HE1 TYR A 9 13.516 -13.342 8.140 1.00 1.00 H new ATOM 0 HE2 TYR A 9 12.352 -9.252 8.617 1.00 1.00 H new ATOM 0 HH TYR A 9 13.685 -10.326 10.046 1.00 1.00 H new ATOM 144 N TYR A 10 10.075 -13.105 2.004 1.00 1.00 N ATOM 145 CA TYR A 10 9.257 -13.198 0.814 1.00 1.00 C ATOM 146 C TYR A 10 8.225 -14.318 0.969 1.00 1.00 C ATOM 147 O TYR A 10 7.203 -14.339 0.282 1.00 1.00 O ATOM 148 CB TYR A 10 10.156 -13.470 -0.417 1.00 1.00 C ATOM 149 CG TYR A 10 10.216 -14.966 -0.710 1.00 1.00 C ATOM 150 CD1 TYR A 10 10.969 -15.805 0.111 1.00 1.00 C ATOM 151 CD2 TYR A 10 9.496 -15.501 -1.783 1.00 1.00 C ATOM 152 CE1 TYR A 10 11.009 -17.180 -0.138 1.00 1.00 C ATOM 153 CE2 TYR A 10 9.534 -16.873 -2.036 1.00 1.00 C ATOM 154 CZ TYR A 10 10.293 -17.714 -1.213 1.00 1.00 C ATOM 155 OH TYR A 10 10.333 -19.069 -1.462 1.00 1.00 O ATOM 0 H TYR A 10 11.078 -13.098 1.818 1.00 1.00 H new ATOM 0 HA TYR A 10 8.729 -12.255 0.670 1.00 1.00 H new ATOM 0 HB2 TYR A 10 9.766 -12.938 -1.285 1.00 1.00 H new ATOM 0 HB3 TYR A 10 11.160 -13.088 -0.234 1.00 1.00 H new ATOM 0 HD1 TYR A 10 11.523 -15.391 0.941 1.00 1.00 H new ATOM 0 HD2 TYR A 10 8.910 -14.852 -2.417 1.00 1.00 H new ATOM 0 HE1 TYR A 10 11.592 -17.828 0.499 1.00 1.00 H new ATOM 0 HE2 TYR A 10 8.979 -17.285 -2.865 1.00 1.00 H new ATOM 0 HH TYR A 10 9.780 -19.274 -2.244 1.00 1.00 H new ATOM 165 N LEU A 11 8.472 -15.260 1.873 1.00 1.00 N ATOM 166 CA LEU A 11 7.559 -16.379 2.094 1.00 1.00 C ATOM 167 C LEU A 11 6.116 -15.903 2.121 1.00 1.00 C ATOM 168 O LEU A 11 5.196 -16.672 1.847 1.00 1.00 O ATOM 169 CB LEU A 11 7.906 -17.072 3.419 1.00 1.00 C ATOM 170 CG LEU A 11 7.597 -16.143 4.638 1.00 1.00 C ATOM 171 CD1 LEU A 11 6.232 -16.491 5.261 1.00 1.00 C ATOM 172 CD2 LEU A 11 8.682 -16.317 5.714 1.00 1.00 C ATOM 0 H LEU A 11 9.301 -15.272 2.468 1.00 1.00 H new ATOM 0 HA LEU A 11 7.670 -17.086 1.272 1.00 1.00 H new ATOM 0 HB2 LEU A 11 7.336 -17.997 3.509 1.00 1.00 H new ATOM 0 HB3 LEU A 11 8.961 -17.345 3.425 1.00 1.00 H new ATOM 0 HG LEU A 11 7.578 -15.114 4.280 1.00 1.00 H new ATOM 0 HD11 LEU A 11 6.039 -15.831 6.107 1.00 1.00 H new ATOM 0 HD12 LEU A 11 5.448 -16.362 4.515 1.00 1.00 H new ATOM 0 HD13 LEU A 11 6.241 -17.526 5.603 1.00 1.00 H new ATOM 0 HD21 LEU A 11 8.462 -15.667 6.561 1.00 1.00 H new ATOM 0 HD22 LEU A 11 8.701 -17.355 6.048 1.00 1.00 H new ATOM 0 HD23 LEU A 11 9.654 -16.053 5.297 1.00 1.00 H new ATOM 184 N GLU A 12 5.963 -14.624 2.449 1.00 1.00 N ATOM 185 CA GLU A 12 4.631 -14.052 2.516 1.00 1.00 C ATOM 186 C GLU A 12 3.891 -14.239 1.197 1.00 1.00 C ATOM 187 O GLU A 12 2.776 -14.759 1.187 1.00 1.00 O ATOM 188 CB GLU A 12 4.733 -12.555 2.853 1.00 1.00 C ATOM 189 CG GLU A 12 5.654 -11.813 1.836 1.00 1.00 C ATOM 190 CD GLU A 12 4.831 -11.176 0.713 1.00 1.00 C ATOM 191 OE1 GLU A 12 3.699 -11.589 0.518 1.00 1.00 O ATOM 192 OE2 GLU A 12 5.339 -10.265 0.082 1.00 1.00 O ATOM 0 H GLU A 12 6.725 -13.982 2.667 1.00 1.00 H new ATOM 0 HA GLU A 12 4.069 -14.566 3.296 1.00 1.00 H new ATOM 0 HB2 GLU A 12 3.739 -12.108 2.842 1.00 1.00 H new ATOM 0 HB3 GLU A 12 5.127 -12.432 3.862 1.00 1.00 H new ATOM 0 HG2 GLU A 12 6.227 -11.043 2.353 1.00 1.00 H new ATOM 0 HG3 GLU A 12 6.373 -12.514 1.412 1.00 1.00 H new ATOM 199 N GLY A 13 4.538 -13.813 0.117 1.00 1.00 N ATOM 200 CA GLY A 13 3.948 -13.935 -1.229 1.00 1.00 C ATOM 201 C GLY A 13 3.069 -15.185 -1.335 1.00 1.00 C ATOM 202 O GLY A 13 2.038 -15.189 -2.008 1.00 1.00 O ATOM 0 H GLY A 13 5.463 -13.383 0.137 1.00 1.00 H new ATOM 0 HA2 GLY A 13 3.353 -13.049 -1.450 1.00 1.00 H new ATOM 0 HA3 GLY A 13 4.742 -13.981 -1.975 1.00 1.00 H new ATOM 206 N VAL A 14 3.481 -16.246 -0.651 1.00 1.00 N ATOM 207 CA VAL A 14 2.720 -17.488 -0.646 1.00 1.00 C ATOM 208 C VAL A 14 1.487 -17.361 0.236 1.00 1.00 C ATOM 209 O VAL A 14 0.378 -17.679 -0.194 1.00 1.00 O ATOM 210 CB VAL A 14 3.588 -18.630 -0.119 1.00 1.00 C ATOM 211 CG1 VAL A 14 2.812 -19.950 -0.183 1.00 1.00 C ATOM 212 CG2 VAL A 14 4.853 -18.735 -0.967 1.00 1.00 C ATOM 0 H VAL A 14 4.335 -16.271 -0.094 1.00 1.00 H new ATOM 0 HA VAL A 14 2.409 -17.698 -1.669 1.00 1.00 H new ATOM 0 HB VAL A 14 3.858 -18.429 0.918 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.438 -20.759 0.194 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.912 -19.873 0.427 1.00 1.00 H new ATOM 0 HG13 VAL A 14 2.533 -20.159 -1.216 1.00 1.00 H new ATOM 0 HG21 VAL A 14 5.475 -19.549 -0.594 1.00 1.00 H new ATOM 0 HG22 VAL A 14 4.581 -18.932 -2.004 1.00 1.00 H new ATOM 0 HG23 VAL A 14 5.408 -17.799 -0.910 1.00 1.00 H new ATOM 222 N LEU A 15 1.667 -16.904 1.472 1.00 1.00 N ATOM 223 CA LEU A 15 0.553 -16.753 2.409 1.00 1.00 C ATOM 224 C LEU A 15 -0.646 -16.132 1.715 1.00 1.00 C ATOM 225 O LEU A 15 -1.664 -16.798 1.527 1.00 1.00 O ATOM 226 CB LEU A 15 0.960 -15.854 3.593 1.00 1.00 C ATOM 227 CG LEU A 15 2.133 -16.478 4.366 1.00 1.00 C ATOM 228 CD1 LEU A 15 2.518 -15.540 5.520 1.00 1.00 C ATOM 229 CD2 LEU A 15 1.733 -17.861 4.930 1.00 1.00 C ATOM 0 H LEU A 15 2.574 -16.631 1.850 1.00 1.00 H new ATOM 0 HA LEU A 15 0.290 -17.745 2.776 1.00 1.00 H new ATOM 0 HB2 LEU A 15 1.242 -14.867 3.227 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.110 -15.715 4.261 1.00 1.00 H new ATOM 0 HG LEU A 15 2.980 -16.612 3.693 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.350 -15.971 6.077 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.814 -14.571 5.118 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.664 -15.411 6.185 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.575 -18.289 5.474 1.00 1.00 H new ATOM 0 HD22 LEU A 15 0.884 -17.747 5.605 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.458 -18.523 4.109 1.00 1.00 H new ATOM 241 N GLN A 16 -0.534 -14.868 1.323 1.00 1.00 N ATOM 242 CA GLN A 16 -1.638 -14.191 0.644 1.00 1.00 C ATOM 243 C GLN A 16 -2.192 -15.081 -0.478 1.00 1.00 C ATOM 244 O GLN A 16 -3.381 -15.403 -0.492 1.00 1.00 O ATOM 245 CB GLN A 16 -1.131 -12.849 0.036 1.00 1.00 C ATOM 246 CG GLN A 16 0.379 -12.937 -0.242 1.00 1.00 C ATOM 247 CD GLN A 16 0.829 -11.784 -1.133 1.00 1.00 C ATOM 248 OE1 GLN A 16 0.556 -11.784 -2.333 1.00 1.00 O ATOM 249 NE2 GLN A 16 1.504 -10.796 -0.613 1.00 1.00 N ATOM 0 H GLN A 16 0.299 -14.295 1.460 1.00 1.00 H new ATOM 0 HA GLN A 16 -2.430 -13.992 1.366 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.668 -12.633 -0.888 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -1.336 -12.028 0.723 1.00 1.00 H new ATOM 0 HG2 GLN A 16 0.929 -12.913 0.699 1.00 1.00 H new ATOM 0 HG3 GLN A 16 0.611 -13.887 -0.723 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.728 -10.800 0.382 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.807 -10.020 -1.201 1.00 1.00 H new ATOM 258 N TYR A 17 -1.346 -15.493 -1.417 1.00 1.00 N ATOM 259 CA TYR A 17 -1.787 -16.338 -2.518 1.00 1.00 C ATOM 260 C TYR A 17 -2.578 -17.536 -1.997 1.00 1.00 C ATOM 261 O TYR A 17 -3.756 -17.693 -2.316 1.00 1.00 O ATOM 262 CB TYR A 17 -0.565 -16.836 -3.294 1.00 1.00 C ATOM 263 CG TYR A 17 -1.013 -17.654 -4.481 1.00 1.00 C ATOM 264 CD1 TYR A 17 -1.296 -17.019 -5.696 1.00 1.00 C ATOM 265 CD2 TYR A 17 -1.148 -19.046 -4.371 1.00 1.00 C ATOM 266 CE1 TYR A 17 -1.710 -17.772 -6.801 1.00 1.00 C ATOM 267 CE2 TYR A 17 -1.562 -19.799 -5.477 1.00 1.00 C ATOM 268 CZ TYR A 17 -1.843 -19.161 -6.691 1.00 1.00 C ATOM 269 OH TYR A 17 -2.251 -19.903 -7.782 1.00 1.00 O ATOM 0 H TYR A 17 -0.354 -15.256 -1.437 1.00 1.00 H new ATOM 0 HA TYR A 17 -2.433 -15.752 -3.172 1.00 1.00 H new ATOM 0 HB2 TYR A 17 0.034 -15.990 -3.629 1.00 1.00 H new ATOM 0 HB3 TYR A 17 0.070 -17.438 -2.644 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -1.195 -15.947 -5.781 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -0.933 -19.537 -3.433 1.00 1.00 H new ATOM 0 HE1 TYR A 17 -1.927 -17.281 -7.738 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -1.664 -20.871 -5.393 1.00 1.00 H new ATOM 0 HH TYR A 17 -2.291 -20.851 -7.537 1.00 1.00 H new ATOM 279 N ASP A 18 -1.921 -18.369 -1.195 1.00 1.00 N ATOM 280 CA ASP A 18 -2.579 -19.545 -0.628 1.00 1.00 C ATOM 281 C ASP A 18 -3.516 -19.138 0.510 1.00 1.00 C ATOM 282 O ASP A 18 -4.731 -19.069 0.328 1.00 1.00 O ATOM 283 CB ASP A 18 -1.530 -20.529 -0.104 1.00 1.00 C ATOM 284 CG ASP A 18 -2.210 -21.787 0.434 1.00 1.00 C ATOM 285 OD1 ASP A 18 -3.428 -21.797 0.514 1.00 1.00 O ATOM 286 OD2 ASP A 18 -1.500 -22.723 0.758 1.00 1.00 O ATOM 0 H ASP A 18 -0.944 -18.255 -0.924 1.00 1.00 H new ATOM 0 HA ASP A 18 -3.165 -20.025 -1.412 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -0.838 -20.794 -0.903 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -0.942 -20.059 0.684 1.00 1.00 H new ATOM 291 N ALA A 19 -2.941 -18.870 1.677 1.00 1.00 N ATOM 292 CA ALA A 19 -3.722 -18.473 2.844 1.00 1.00 C ATOM 293 C ALA A 19 -4.280 -17.062 2.659 1.00 1.00 C ATOM 294 O ALA A 19 -3.566 -16.069 2.791 1.00 1.00 O ATOM 295 CB ALA A 19 -2.851 -18.524 4.104 1.00 1.00 C ATOM 0 H ALA A 19 -1.935 -18.920 1.841 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.554 -19.169 2.955 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -3.444 -18.226 4.969 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.481 -19.539 4.250 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.007 -17.843 3.991 1.00 1.00 H new ATOM 301 N GLY A 20 -5.569 -16.964 2.350 1.00 1.00 N ATOM 302 CA GLY A 20 -6.231 -15.682 2.141 1.00 1.00 C ATOM 303 C GLY A 20 -6.289 -14.883 3.432 1.00 1.00 C ATOM 304 O GLY A 20 -7.343 -14.752 4.054 1.00 1.00 O ATOM 0 H GLY A 20 -6.183 -17.771 2.238 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.697 -15.113 1.380 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.241 -15.847 1.765 1.00 1.00 H new ATOM 308 N ASN A 21 -5.146 -14.339 3.837 1.00 1.00 N ATOM 309 CA ASN A 21 -5.069 -13.546 5.064 1.00 1.00 C ATOM 310 C ASN A 21 -4.199 -12.321 4.850 1.00 1.00 C ATOM 311 O ASN A 21 -3.172 -12.156 5.507 1.00 1.00 O ATOM 312 CB ASN A 21 -4.486 -14.391 6.193 1.00 1.00 C ATOM 313 CG ASN A 21 -5.414 -15.554 6.511 1.00 1.00 C ATOM 314 OD1 ASN A 21 -6.624 -15.371 6.630 1.00 1.00 O ATOM 315 ND2 ASN A 21 -4.913 -16.749 6.653 1.00 1.00 N ATOM 0 H ASN A 21 -4.262 -14.431 3.337 1.00 1.00 H new ATOM 0 HA ASN A 21 -6.075 -13.224 5.331 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -3.504 -14.768 5.906 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -4.344 -13.776 7.082 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -5.525 -17.537 6.864 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -3.909 -16.896 6.553 1.00 1.00 H new ATOM 322 N TYR A 22 -4.631 -11.467 3.928 1.00 1.00 N ATOM 323 CA TYR A 22 -3.883 -10.240 3.635 1.00 1.00 C ATOM 324 C TYR A 22 -3.418 -9.577 4.932 1.00 1.00 C ATOM 325 O TYR A 22 -2.329 -9.005 4.985 1.00 1.00 O ATOM 326 CB TYR A 22 -4.767 -9.255 2.865 1.00 1.00 C ATOM 327 CG TYR A 22 -5.129 -9.836 1.516 1.00 1.00 C ATOM 328 CD1 TYR A 22 -6.276 -10.626 1.378 1.00 1.00 C ATOM 329 CD2 TYR A 22 -4.317 -9.584 0.402 1.00 1.00 C ATOM 330 CE1 TYR A 22 -6.612 -11.162 0.130 1.00 1.00 C ATOM 331 CE2 TYR A 22 -4.652 -10.119 -0.845 1.00 1.00 C ATOM 332 CZ TYR A 22 -5.799 -10.910 -0.982 1.00 1.00 C ATOM 333 OH TYR A 22 -6.131 -11.438 -2.213 1.00 1.00 O ATOM 0 H TYR A 22 -5.480 -11.594 3.377 1.00 1.00 H new ATOM 0 HA TYR A 22 -3.015 -10.506 3.031 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -5.672 -9.043 3.434 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.243 -8.308 2.734 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -6.902 -10.822 2.236 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -3.431 -8.975 0.507 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -7.498 -11.770 0.024 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -4.026 -9.922 -1.703 1.00 1.00 H new ATOM 0 HH TYR A 22 -5.463 -11.166 -2.876 1.00 1.00 H new ATOM 343 N THR A 23 -4.248 -9.676 5.964 1.00 1.00 N ATOM 344 CA THR A 23 -3.904 -9.090 7.257 1.00 1.00 C ATOM 345 C THR A 23 -2.623 -9.717 7.791 1.00 1.00 C ATOM 346 O THR A 23 -1.704 -9.007 8.197 1.00 1.00 O ATOM 347 CB THR A 23 -5.042 -9.325 8.262 1.00 1.00 C ATOM 348 OG1 THR A 23 -6.227 -8.710 7.789 1.00 1.00 O ATOM 349 CG2 THR A 23 -4.674 -8.718 9.622 1.00 1.00 C ATOM 0 H THR A 23 -5.151 -10.149 5.934 1.00 1.00 H new ATOM 0 HA THR A 23 -3.754 -8.019 7.124 1.00 1.00 H new ATOM 0 HB THR A 23 -5.199 -10.398 8.373 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.953 -8.862 8.430 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.486 -8.889 10.329 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.764 -9.187 9.995 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.510 -7.646 9.510 1.00 1.00 H new ATOM 357 N GLU A 24 -2.549 -11.044 7.796 1.00 1.00 N ATOM 358 CA GLU A 24 -1.353 -11.724 8.294 1.00 1.00 C ATOM 359 C GLU A 24 -0.105 -11.249 7.552 1.00 1.00 C ATOM 360 O GLU A 24 0.931 -10.998 8.169 1.00 1.00 O ATOM 361 CB GLU A 24 -1.500 -13.246 8.123 1.00 1.00 C ATOM 362 CG GLU A 24 -2.498 -13.800 9.150 1.00 1.00 C ATOM 363 CD GLU A 24 -1.889 -13.751 10.550 1.00 1.00 C ATOM 364 OE1 GLU A 24 -0.674 -13.704 10.645 1.00 1.00 O ATOM 365 OE2 GLU A 24 -2.646 -13.764 11.506 1.00 1.00 O ATOM 0 H GLU A 24 -3.289 -11.664 7.467 1.00 1.00 H new ATOM 0 HA GLU A 24 -1.245 -11.483 9.352 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.841 -13.475 7.113 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -0.531 -13.729 8.249 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -3.419 -13.218 9.125 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -2.762 -14.826 8.895 1.00 1.00 H new ATOM 372 N SER A 25 -0.210 -11.134 6.232 1.00 1.00 N ATOM 373 CA SER A 25 0.928 -10.706 5.430 1.00 1.00 C ATOM 374 C SER A 25 1.507 -9.402 5.968 1.00 1.00 C ATOM 375 O SER A 25 2.681 -9.093 5.763 1.00 1.00 O ATOM 376 CB SER A 25 0.501 -10.514 3.971 1.00 1.00 C ATOM 377 OG SER A 25 -0.217 -9.292 3.849 1.00 1.00 O ATOM 0 H SER A 25 -1.059 -11.328 5.702 1.00 1.00 H new ATOM 0 HA SER A 25 1.694 -11.479 5.485 1.00 1.00 H new ATOM 0 HB2 SER A 25 1.377 -10.501 3.322 1.00 1.00 H new ATOM 0 HB3 SER A 25 -0.122 -11.349 3.649 1.00 1.00 H new ATOM 0 HG SER A 25 -0.888 -9.234 4.561 1.00 1.00 H new ATOM 383 N ILE A 26 0.684 -8.622 6.660 1.00 1.00 N ATOM 384 CA ILE A 26 1.139 -7.351 7.211 1.00 1.00 C ATOM 385 C ILE A 26 2.320 -7.566 8.159 1.00 1.00 C ATOM 386 O ILE A 26 3.290 -6.810 8.159 1.00 1.00 O ATOM 387 CB ILE A 26 -0.023 -6.638 7.966 1.00 1.00 C ATOM 388 CG1 ILE A 26 0.205 -5.115 7.945 1.00 1.00 C ATOM 389 CG2 ILE A 26 -0.112 -7.115 9.442 1.00 1.00 C ATOM 390 CD1 ILE A 26 -1.021 -4.381 8.485 1.00 1.00 C ATOM 0 H ILE A 26 -0.293 -8.844 6.852 1.00 1.00 H new ATOM 0 HA ILE A 26 1.464 -6.720 6.384 1.00 1.00 H new ATOM 0 HB ILE A 26 -0.956 -6.888 7.462 1.00 1.00 H new ATOM 0 HG12 ILE A 26 1.079 -4.864 8.545 1.00 1.00 H new ATOM 0 HG13 ILE A 26 0.413 -4.787 6.927 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -0.932 -6.600 9.942 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.290 -8.190 9.467 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.824 -6.890 9.954 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.841 -3.306 8.462 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -1.888 -4.617 7.867 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.211 -4.695 9.511 1.00 1.00 H new ATOM 402 N ASP A 27 2.222 -8.611 8.974 1.00 1.00 N ATOM 403 CA ASP A 27 3.268 -8.893 9.933 1.00 1.00 C ATOM 404 C ASP A 27 4.593 -9.078 9.214 1.00 1.00 C ATOM 405 O ASP A 27 5.619 -8.564 9.657 1.00 1.00 O ATOM 406 CB ASP A 27 2.921 -10.164 10.719 1.00 1.00 C ATOM 407 CG ASP A 27 1.757 -9.904 11.676 1.00 1.00 C ATOM 408 OD1 ASP A 27 1.397 -8.751 11.845 1.00 1.00 O ATOM 409 OD2 ASP A 27 1.251 -10.865 12.232 1.00 1.00 O ATOM 0 H ASP A 27 1.439 -9.264 8.986 1.00 1.00 H new ATOM 0 HA ASP A 27 3.353 -8.055 10.625 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.659 -10.965 10.028 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.793 -10.500 11.281 1.00 1.00 H new ATOM 414 N LEU A 28 4.545 -9.811 8.105 1.00 1.00 N ATOM 415 CA LEU A 28 5.760 -10.051 7.339 1.00 1.00 C ATOM 416 C LEU A 28 6.251 -8.757 6.685 1.00 1.00 C ATOM 417 O LEU A 28 7.442 -8.452 6.726 1.00 1.00 O ATOM 418 CB LEU A 28 5.503 -11.126 6.267 1.00 1.00 C ATOM 419 CG LEU A 28 5.517 -12.548 6.876 1.00 1.00 C ATOM 420 CD1 LEU A 28 6.940 -12.966 7.294 1.00 1.00 C ATOM 421 CD2 LEU A 28 4.583 -12.616 8.092 1.00 1.00 C ATOM 0 H LEU A 28 3.700 -10.239 7.725 1.00 1.00 H new ATOM 0 HA LEU A 28 6.534 -10.406 8.019 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.540 -10.943 5.790 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.263 -11.055 5.489 1.00 1.00 H new ATOM 0 HG LEU A 28 5.167 -13.239 6.109 1.00 1.00 H new ATOM 0 HD11 LEU A 28 6.915 -13.970 7.718 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.593 -12.957 6.421 1.00 1.00 H new ATOM 0 HD13 LEU A 28 7.320 -12.267 8.039 1.00 1.00 H new ATOM 0 HD21 LEU A 28 4.603 -13.622 8.510 1.00 1.00 H new ATOM 0 HD22 LEU A 28 4.915 -11.903 8.846 1.00 1.00 H new ATOM 0 HD23 LEU A 28 3.566 -12.371 7.784 1.00 1.00 H new ATOM 433 N PHE A 29 5.328 -8.009 6.090 1.00 1.00 N ATOM 434 CA PHE A 29 5.716 -6.765 5.441 1.00 1.00 C ATOM 435 C PHE A 29 6.365 -5.818 6.447 1.00 1.00 C ATOM 436 O PHE A 29 7.429 -5.260 6.174 1.00 1.00 O ATOM 437 CB PHE A 29 4.481 -6.086 4.821 1.00 1.00 C ATOM 438 CG PHE A 29 4.073 -6.778 3.529 1.00 1.00 C ATOM 439 CD1 PHE A 29 4.958 -6.815 2.437 1.00 1.00 C ATOM 440 CD2 PHE A 29 2.810 -7.378 3.416 1.00 1.00 C ATOM 441 CE1 PHE A 29 4.579 -7.453 1.251 1.00 1.00 C ATOM 442 CE2 PHE A 29 2.436 -8.008 2.230 1.00 1.00 C ATOM 443 CZ PHE A 29 3.316 -8.048 1.148 1.00 1.00 C ATOM 0 H PHE A 29 4.334 -8.234 6.044 1.00 1.00 H new ATOM 0 HA PHE A 29 6.436 -6.996 4.656 1.00 1.00 H new ATOM 0 HB2 PHE A 29 3.653 -6.112 5.529 1.00 1.00 H new ATOM 0 HB3 PHE A 29 4.699 -5.036 4.623 1.00 1.00 H new ATOM 0 HD1 PHE A 29 5.930 -6.351 2.514 1.00 1.00 H new ATOM 0 HD2 PHE A 29 2.125 -7.352 4.251 1.00 1.00 H new ATOM 0 HE1 PHE A 29 5.261 -7.487 0.414 1.00 1.00 H new ATOM 0 HE2 PHE A 29 1.462 -8.467 2.148 1.00 1.00 H new ATOM 0 HZ PHE A 29 3.023 -8.538 0.231 1.00 1.00 H new ATOM 453 N GLU A 30 5.729 -5.645 7.600 1.00 1.00 N ATOM 454 CA GLU A 30 6.273 -4.751 8.618 1.00 1.00 C ATOM 455 C GLU A 30 7.700 -5.158 8.986 1.00 1.00 C ATOM 456 O GLU A 30 8.560 -4.301 9.191 1.00 1.00 O ATOM 457 CB GLU A 30 5.390 -4.788 9.874 1.00 1.00 C ATOM 458 CG GLU A 30 4.038 -4.116 9.598 1.00 1.00 C ATOM 459 CD GLU A 30 4.220 -2.611 9.436 1.00 1.00 C ATOM 460 OE1 GLU A 30 5.226 -2.102 9.899 1.00 1.00 O ATOM 461 OE2 GLU A 30 3.350 -1.990 8.850 1.00 1.00 O ATOM 0 H GLU A 30 4.852 -6.102 7.852 1.00 1.00 H new ATOM 0 HA GLU A 30 6.289 -3.739 8.213 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.233 -5.821 10.186 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.895 -4.280 10.696 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.593 -4.535 8.695 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.349 -4.320 10.417 1.00 1.00 H new ATOM 468 N LYS A 31 7.936 -6.463 9.062 1.00 1.00 N ATOM 469 CA LYS A 31 9.267 -6.954 9.406 1.00 1.00 C ATOM 470 C LYS A 31 10.304 -6.449 8.404 1.00 1.00 C ATOM 471 O LYS A 31 11.390 -6.021 8.796 1.00 1.00 O ATOM 472 CB LYS A 31 9.271 -8.499 9.436 1.00 1.00 C ATOM 473 CG LYS A 31 8.654 -9.008 10.742 1.00 1.00 C ATOM 474 CD LYS A 31 8.614 -10.547 10.743 1.00 1.00 C ATOM 475 CE LYS A 31 8.162 -11.058 12.114 1.00 1.00 C ATOM 476 NZ LYS A 31 8.120 -12.552 12.103 1.00 1.00 N ATOM 0 H LYS A 31 7.239 -7.188 8.894 1.00 1.00 H new ATOM 0 HA LYS A 31 9.528 -6.577 10.395 1.00 1.00 H new ATOM 0 HB2 LYS A 31 8.710 -8.887 8.586 1.00 1.00 H new ATOM 0 HB3 LYS A 31 10.292 -8.869 9.340 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.236 -8.651 11.592 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.646 -8.610 10.856 1.00 1.00 H new ATOM 0 HD2 LYS A 31 7.932 -10.902 9.970 1.00 1.00 H new ATOM 0 HD3 LYS A 31 9.600 -10.945 10.504 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.846 -10.709 12.887 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.177 -10.658 12.356 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.813 -12.898 13.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 7.450 -12.875 11.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 9.068 -12.924 11.891 1.00 1.00 H new ATOM 490 N ALA A 32 9.962 -6.503 7.121 1.00 1.00 N ATOM 491 CA ALA A 32 10.890 -6.050 6.096 1.00 1.00 C ATOM 492 C ALA A 32 11.291 -4.595 6.330 1.00 1.00 C ATOM 493 O ALA A 32 12.465 -4.242 6.224 1.00 1.00 O ATOM 494 CB ALA A 32 10.243 -6.202 4.723 1.00 1.00 C ATOM 0 H ALA A 32 9.068 -6.849 6.773 1.00 1.00 H new ATOM 0 HA ALA A 32 11.791 -6.661 6.144 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.937 -5.863 3.954 1.00 1.00 H new ATOM 0 HB2 ALA A 32 9.995 -7.249 4.552 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.334 -5.602 4.681 1.00 1.00 H new ATOM 500 N ILE A 33 10.298 -3.769 6.644 1.00 1.00 N ATOM 501 CA ILE A 33 10.564 -2.352 6.886 1.00 1.00 C ATOM 502 C ILE A 33 11.529 -2.193 8.058 1.00 1.00 C ATOM 503 O ILE A 33 12.472 -1.405 7.993 1.00 1.00 O ATOM 504 CB ILE A 33 9.243 -1.633 7.204 1.00 1.00 C ATOM 505 CG1 ILE A 33 8.208 -1.954 6.117 1.00 1.00 C ATOM 506 CG2 ILE A 33 9.460 -0.116 7.263 1.00 1.00 C ATOM 507 CD1 ILE A 33 8.760 -1.644 4.720 1.00 1.00 C ATOM 0 H ILE A 33 9.321 -4.046 6.736 1.00 1.00 H new ATOM 0 HA ILE A 33 11.014 -1.914 5.995 1.00 1.00 H new ATOM 0 HB ILE A 33 8.882 -1.978 8.173 1.00 1.00 H new ATOM 0 HG12 ILE A 33 7.929 -3.006 6.176 1.00 1.00 H new ATOM 0 HG13 ILE A 33 7.302 -1.373 6.290 1.00 1.00 H new ATOM 0 HG21 ILE A 33 8.515 0.378 7.489 1.00 1.00 H new ATOM 0 HG22 ILE A 33 10.187 0.118 8.041 1.00 1.00 H new ATOM 0 HG23 ILE A 33 9.832 0.236 6.301 1.00 1.00 H new ATOM 0 HD11 ILE A 33 8.006 -1.881 3.970 1.00 1.00 H new ATOM 0 HD12 ILE A 33 9.015 -0.586 4.656 1.00 1.00 H new ATOM 0 HD13 ILE A 33 9.652 -2.244 4.540 1.00 1.00 H new ATOM 519 N GLN A 34 11.305 -2.939 9.134 1.00 1.00 N ATOM 520 CA GLN A 34 12.171 -2.851 10.305 1.00 1.00 C ATOM 521 C GLN A 34 13.626 -3.088 9.914 1.00 1.00 C ATOM 522 O GLN A 34 14.511 -2.334 10.323 1.00 1.00 O ATOM 523 CB GLN A 34 11.752 -3.895 11.349 1.00 1.00 C ATOM 524 CG GLN A 34 10.373 -3.549 11.926 1.00 1.00 C ATOM 525 CD GLN A 34 10.466 -2.285 12.772 1.00 1.00 C ATOM 526 OE1 GLN A 34 9.841 -1.273 12.449 1.00 1.00 O ATOM 527 NE2 GLN A 34 11.220 -2.278 13.837 1.00 1.00 N ATOM 0 H GLN A 34 10.538 -3.606 9.220 1.00 1.00 H new ATOM 0 HA GLN A 34 12.073 -1.851 10.728 1.00 1.00 H new ATOM 0 HB2 GLN A 34 11.725 -4.885 10.893 1.00 1.00 H new ATOM 0 HB3 GLN A 34 12.490 -3.934 12.151 1.00 1.00 H new ATOM 0 HG2 GLN A 34 9.657 -3.404 11.117 1.00 1.00 H new ATOM 0 HG3 GLN A 34 10.005 -4.377 12.533 1.00 1.00 H new ATOM 0 HE21 GLN A 34 11.736 -3.117 14.102 1.00 1.00 H new ATOM 0 HE22 GLN A 34 11.293 -1.434 14.404 1.00 1.00 H new ATOM 536 N LEU A 35 13.852 -4.130 9.121 1.00 1.00 N ATOM 537 CA LEU A 35 15.210 -4.445 8.683 1.00 1.00 C ATOM 538 C LEU A 35 15.729 -3.372 7.727 1.00 1.00 C ATOM 539 O LEU A 35 16.879 -2.944 7.816 1.00 1.00 O ATOM 540 CB LEU A 35 15.233 -5.834 8.007 1.00 1.00 C ATOM 541 CG LEU A 35 15.427 -6.951 9.053 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.296 -6.919 10.081 1.00 1.00 C ATOM 543 CD2 LEU A 35 15.427 -8.315 8.346 1.00 1.00 C ATOM 0 H LEU A 35 13.130 -4.761 8.773 1.00 1.00 H new ATOM 0 HA LEU A 35 15.865 -4.466 9.554 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.301 -5.995 7.466 1.00 1.00 H new ATOM 0 HB3 LEU A 35 16.038 -5.873 7.274 1.00 1.00 H new ATOM 0 HG LEU A 35 16.377 -6.794 9.564 1.00 1.00 H new ATOM 0 HD11 LEU A 35 14.447 -7.713 10.812 1.00 1.00 H new ATOM 0 HD12 LEU A 35 14.293 -5.954 10.588 1.00 1.00 H new ATOM 0 HD13 LEU A 35 13.341 -7.067 9.576 1.00 1.00 H new ATOM 0 HD21 LEU A 35 15.564 -9.107 9.083 1.00 1.00 H new ATOM 0 HD22 LEU A 35 14.477 -8.458 7.832 1.00 1.00 H new ATOM 0 HD23 LEU A 35 16.240 -8.349 7.621 1.00 1.00 H new ATOM 555 N ASP A 36 14.867 -2.944 6.810 1.00 1.00 N ATOM 556 CA ASP A 36 15.242 -1.924 5.827 1.00 1.00 C ATOM 557 C ASP A 36 14.085 -0.947 5.588 1.00 1.00 C ATOM 558 O ASP A 36 13.231 -1.208 4.740 1.00 1.00 O ATOM 559 CB ASP A 36 15.615 -2.613 4.514 1.00 1.00 C ATOM 560 CG ASP A 36 16.854 -3.482 4.721 1.00 1.00 C ATOM 561 OD1 ASP A 36 17.893 -2.928 5.042 1.00 1.00 O ATOM 562 OD2 ASP A 36 16.745 -4.686 4.566 1.00 1.00 O ATOM 0 H ASP A 36 13.909 -3.283 6.724 1.00 1.00 H new ATOM 0 HA ASP A 36 16.092 -1.359 6.208 1.00 1.00 H new ATOM 0 HB2 ASP A 36 14.784 -3.226 4.165 1.00 1.00 H new ATOM 0 HB3 ASP A 36 15.807 -1.867 3.743 1.00 1.00 H new ATOM 567 N PRO A 37 14.053 0.148 6.296 1.00 1.00 N ATOM 568 CA PRO A 37 12.969 1.150 6.123 1.00 1.00 C ATOM 569 C PRO A 37 13.293 2.165 5.027 1.00 1.00 C ATOM 570 O PRO A 37 13.269 3.375 5.247 1.00 1.00 O ATOM 571 CB PRO A 37 12.882 1.804 7.510 1.00 1.00 C ATOM 572 CG PRO A 37 14.297 1.793 8.021 1.00 1.00 C ATOM 573 CD PRO A 37 15.006 0.589 7.343 1.00 1.00 C ATOM 0 HA PRO A 37 12.027 0.707 5.801 1.00 1.00 H new ATOM 0 HB2 PRO A 37 12.491 2.819 7.446 1.00 1.00 H new ATOM 0 HB3 PRO A 37 12.217 1.247 8.170 1.00 1.00 H new ATOM 0 HG2 PRO A 37 14.803 2.727 7.778 1.00 1.00 H new ATOM 0 HG3 PRO A 37 14.316 1.693 9.106 1.00 1.00 H new ATOM 0 HD2 PRO A 37 15.963 0.882 6.912 1.00 1.00 H new ATOM 0 HD3 PRO A 37 15.209 -0.208 8.058 1.00 1.00 H new ATOM 581 N GLU A 38 13.593 1.669 3.831 1.00 1.00 N ATOM 582 CA GLU A 38 13.919 2.527 2.690 1.00 1.00 C ATOM 583 C GLU A 38 13.592 1.811 1.384 1.00 1.00 C ATOM 584 O GLU A 38 14.295 1.964 0.386 1.00 1.00 O ATOM 585 CB GLU A 38 15.419 2.895 2.720 1.00 1.00 C ATOM 586 CG GLU A 38 15.685 4.139 1.856 1.00 1.00 C ATOM 587 CD GLU A 38 17.155 4.537 1.948 1.00 1.00 C ATOM 588 OE1 GLU A 38 17.826 4.042 2.838 1.00 1.00 O ATOM 589 OE2 GLU A 38 17.584 5.329 1.126 1.00 1.00 O ATOM 0 H GLU A 38 13.618 0.671 3.623 1.00 1.00 H new ATOM 0 HA GLU A 38 13.324 3.438 2.754 1.00 1.00 H new ATOM 0 HB2 GLU A 38 15.733 3.084 3.747 1.00 1.00 H new ATOM 0 HB3 GLU A 38 16.013 2.057 2.354 1.00 1.00 H new ATOM 0 HG2 GLU A 38 15.420 3.934 0.819 1.00 1.00 H new ATOM 0 HG3 GLU A 38 15.055 4.964 2.189 1.00 1.00 H new ATOM 596 N GLU A 39 12.516 1.029 1.377 1.00 1.00 N ATOM 597 CA GLU A 39 12.096 0.290 0.183 1.00 1.00 C ATOM 598 C GLU A 39 10.645 0.613 -0.149 1.00 1.00 C ATOM 599 O GLU A 39 9.727 0.261 0.592 1.00 1.00 O ATOM 600 CB GLU A 39 12.249 -1.213 0.438 1.00 1.00 C ATOM 601 CG GLU A 39 13.729 -1.558 0.640 1.00 1.00 C ATOM 602 CD GLU A 39 13.883 -3.033 1.009 1.00 1.00 C ATOM 603 OE1 GLU A 39 12.878 -3.724 1.051 1.00 1.00 O ATOM 604 OE2 GLU A 39 15.006 -3.448 1.244 1.00 1.00 O ATOM 0 H GLU A 39 11.914 0.888 2.188 1.00 1.00 H new ATOM 0 HA GLU A 39 12.722 0.583 -0.660 1.00 1.00 H new ATOM 0 HB2 GLU A 39 11.675 -1.502 1.319 1.00 1.00 H new ATOM 0 HB3 GLU A 39 11.846 -1.777 -0.404 1.00 1.00 H new ATOM 0 HG2 GLU A 39 14.287 -1.344 -0.271 1.00 1.00 H new ATOM 0 HG3 GLU A 39 14.151 -0.933 1.427 1.00 1.00 H new ATOM 611 N SER A 40 10.432 1.291 -1.273 1.00 1.00 N ATOM 612 CA SER A 40 9.091 1.656 -1.714 1.00 1.00 C ATOM 613 C SER A 40 8.300 0.426 -2.126 1.00 1.00 C ATOM 614 O SER A 40 7.137 0.266 -1.757 1.00 1.00 O ATOM 615 CB SER A 40 9.167 2.638 -2.879 1.00 1.00 C ATOM 616 OG SER A 40 7.895 2.720 -3.508 1.00 1.00 O ATOM 0 H SER A 40 11.177 1.600 -1.898 1.00 1.00 H new ATOM 0 HA SER A 40 8.578 2.131 -0.878 1.00 1.00 H new ATOM 0 HB2 SER A 40 9.473 3.621 -2.521 1.00 1.00 H new ATOM 0 HB3 SER A 40 9.920 2.311 -3.596 1.00 1.00 H new ATOM 0 HG SER A 40 7.940 3.351 -4.256 1.00 1.00 H new ATOM 622 N LYS A 41 8.932 -0.447 -2.903 1.00 1.00 N ATOM 623 CA LYS A 41 8.282 -1.665 -3.389 1.00 1.00 C ATOM 624 C LYS A 41 7.632 -2.409 -2.227 1.00 1.00 C ATOM 625 O LYS A 41 6.552 -2.983 -2.363 1.00 1.00 O ATOM 626 CB LYS A 41 9.317 -2.590 -4.060 1.00 1.00 C ATOM 627 CG LYS A 41 9.938 -1.903 -5.288 1.00 1.00 C ATOM 628 CD LYS A 41 11.018 -2.810 -5.906 1.00 1.00 C ATOM 629 CE LYS A 41 11.665 -2.096 -7.100 1.00 1.00 C ATOM 630 NZ LYS A 41 12.735 -2.956 -7.688 1.00 1.00 N ATOM 0 H LYS A 41 9.898 -0.336 -3.212 1.00 1.00 H new ATOM 0 HA LYS A 41 7.521 -1.383 -4.116 1.00 1.00 H new ATOM 0 HB2 LYS A 41 10.099 -2.848 -3.346 1.00 1.00 H new ATOM 0 HB3 LYS A 41 8.839 -3.522 -4.361 1.00 1.00 H new ATOM 0 HG2 LYS A 41 9.165 -1.689 -6.026 1.00 1.00 H new ATOM 0 HG3 LYS A 41 10.375 -0.947 -4.999 1.00 1.00 H new ATOM 0 HD2 LYS A 41 11.775 -3.052 -5.160 1.00 1.00 H new ATOM 0 HD3 LYS A 41 10.575 -3.752 -6.229 1.00 1.00 H new ATOM 0 HE2 LYS A 41 10.910 -1.873 -7.854 1.00 1.00 H new ATOM 0 HE3 LYS A 41 12.087 -1.143 -6.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 13.169 -2.466 -8.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 13.461 -3.147 -6.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 12.321 -3.854 -8.009 1.00 1.00 H new ATOM 644 N TYR A 42 8.271 -2.407 -1.061 1.00 1.00 N ATOM 645 CA TYR A 42 7.743 -3.078 0.127 1.00 1.00 C ATOM 646 C TYR A 42 6.627 -2.247 0.756 1.00 1.00 C ATOM 647 O TYR A 42 5.652 -2.789 1.277 1.00 1.00 O ATOM 648 CB TYR A 42 8.882 -3.296 1.142 1.00 1.00 C ATOM 649 CG TYR A 42 9.748 -4.474 0.708 1.00 1.00 C ATOM 650 CD1 TYR A 42 10.536 -4.380 -0.446 1.00 1.00 C ATOM 651 CD2 TYR A 42 9.768 -5.653 1.465 1.00 1.00 C ATOM 652 CE1 TYR A 42 11.339 -5.456 -0.839 1.00 1.00 C ATOM 653 CE2 TYR A 42 10.569 -6.728 1.072 1.00 1.00 C ATOM 654 CZ TYR A 42 11.356 -6.631 -0.079 1.00 1.00 C ATOM 655 OH TYR A 42 12.144 -7.692 -0.466 1.00 1.00 O ATOM 0 H TYR A 42 9.167 -1.942 -0.911 1.00 1.00 H new ATOM 0 HA TYR A 42 7.329 -4.044 -0.163 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.491 -2.395 1.217 1.00 1.00 H new ATOM 0 HB3 TYR A 42 8.467 -3.484 2.132 1.00 1.00 H new ATOM 0 HD1 TYR A 42 10.524 -3.474 -1.034 1.00 1.00 H new ATOM 0 HD2 TYR A 42 9.162 -5.731 2.356 1.00 1.00 H new ATOM 0 HE1 TYR A 42 11.946 -5.380 -1.729 1.00 1.00 H new ATOM 0 HE2 TYR A 42 10.580 -7.635 1.658 1.00 1.00 H new ATOM 0 HH TYR A 42 12.039 -8.428 0.173 1.00 1.00 H new ATOM 665 N TRP A 43 6.778 -0.929 0.700 1.00 1.00 N ATOM 666 CA TRP A 43 5.772 -0.031 1.270 1.00 1.00 C ATOM 667 C TRP A 43 4.544 0.039 0.365 1.00 1.00 C ATOM 668 O TRP A 43 3.414 0.164 0.840 1.00 1.00 O ATOM 669 CB TRP A 43 6.388 1.380 1.464 1.00 1.00 C ATOM 670 CG TRP A 43 6.843 1.574 2.879 1.00 1.00 C ATOM 671 CD1 TRP A 43 8.126 1.565 3.305 1.00 1.00 C ATOM 672 CD2 TRP A 43 6.018 1.801 4.052 1.00 1.00 C ATOM 673 NE1 TRP A 43 8.139 1.777 4.673 1.00 1.00 N ATOM 674 CE2 TRP A 43 6.860 1.929 5.179 1.00 1.00 C ATOM 675 CE3 TRP A 43 4.629 1.908 4.242 1.00 1.00 C ATOM 676 CZ2 TRP A 43 6.341 2.157 6.454 1.00 1.00 C ATOM 677 CZ3 TRP A 43 4.102 2.137 5.521 1.00 1.00 C ATOM 678 CH2 TRP A 43 4.956 2.261 6.626 1.00 1.00 C ATOM 0 H TRP A 43 7.576 -0.459 0.272 1.00 1.00 H new ATOM 0 HA TRP A 43 5.455 -0.417 2.239 1.00 1.00 H new ATOM 0 HB2 TRP A 43 7.231 1.510 0.785 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.652 2.141 1.207 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.996 1.417 2.682 1.00 1.00 H new ATOM 0 HE1 TRP A 43 8.987 1.816 5.238 1.00 1.00 H new ATOM 0 HE3 TRP A 43 3.963 1.813 3.397 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 7.003 2.253 7.302 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.033 2.218 5.656 1.00 1.00 H new ATOM 0 HH2 TRP A 43 4.545 2.437 7.609 1.00 1.00 H new ATOM 689 N LEU A 44 4.787 -0.041 -0.939 1.00 1.00 N ATOM 690 CA LEU A 44 3.702 0.032 -1.894 1.00 1.00 C ATOM 691 C LEU A 44 2.696 -1.077 -1.637 1.00 1.00 C ATOM 692 O LEU A 44 1.487 -0.867 -1.735 1.00 1.00 O ATOM 693 CB LEU A 44 4.279 -0.083 -3.309 1.00 1.00 C ATOM 694 CG LEU A 44 3.208 0.272 -4.383 1.00 1.00 C ATOM 695 CD1 LEU A 44 3.892 0.801 -5.659 1.00 1.00 C ATOM 696 CD2 LEU A 44 2.366 -0.980 -4.751 1.00 1.00 C ATOM 0 H LEU A 44 5.714 -0.155 -1.349 1.00 1.00 H new ATOM 0 HA LEU A 44 3.185 0.986 -1.789 1.00 1.00 H new ATOM 0 HB2 LEU A 44 5.135 0.584 -3.411 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.643 -1.097 -3.475 1.00 1.00 H new ATOM 0 HG LEU A 44 2.554 1.038 -3.967 1.00 1.00 H new ATOM 0 HD11 LEU A 44 3.134 1.046 -6.403 1.00 1.00 H new ATOM 0 HD12 LEU A 44 4.468 1.695 -5.419 1.00 1.00 H new ATOM 0 HD13 LEU A 44 4.559 0.036 -6.058 1.00 1.00 H new ATOM 0 HD21 LEU A 44 1.624 -0.711 -5.502 1.00 1.00 H new ATOM 0 HD22 LEU A 44 3.021 -1.755 -5.149 1.00 1.00 H new ATOM 0 HD23 LEU A 44 1.861 -1.354 -3.860 1.00 1.00 H new ATOM 708 N MET A 45 3.211 -2.258 -1.307 1.00 1.00 N ATOM 709 CA MET A 45 2.331 -3.388 -1.053 1.00 1.00 C ATOM 710 C MET A 45 1.485 -3.150 0.200 1.00 1.00 C ATOM 711 O MET A 45 0.301 -3.489 0.227 1.00 1.00 O ATOM 712 CB MET A 45 3.176 -4.673 -0.903 1.00 1.00 C ATOM 713 CG MET A 45 2.378 -5.900 -1.371 1.00 1.00 C ATOM 714 SD MET A 45 0.892 -6.094 -0.350 1.00 1.00 S ATOM 715 CE MET A 45 0.240 -7.593 -1.135 1.00 1.00 C ATOM 0 H MET A 45 4.208 -2.453 -1.212 1.00 1.00 H new ATOM 0 HA MET A 45 1.650 -3.503 -1.896 1.00 1.00 H new ATOM 0 HB2 MET A 45 4.092 -4.583 -1.487 1.00 1.00 H new ATOM 0 HB3 MET A 45 3.473 -4.800 0.138 1.00 1.00 H new ATOM 0 HG2 MET A 45 2.098 -5.785 -2.418 1.00 1.00 H new ATOM 0 HG3 MET A 45 2.996 -6.795 -1.303 1.00 1.00 H new ATOM 0 HE1 MET A 45 -0.771 -7.404 -1.496 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.879 -7.872 -1.973 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.220 -8.405 -0.408 1.00 1.00 H new ATOM 725 N LYS A 46 2.133 -2.570 1.205 1.00 1.00 N ATOM 726 CA LYS A 46 1.434 -2.309 2.456 1.00 1.00 C ATOM 727 C LYS A 46 0.188 -1.462 2.210 1.00 1.00 C ATOM 728 O LYS A 46 -0.888 -1.763 2.727 1.00 1.00 O ATOM 729 CB LYS A 46 2.354 -1.569 3.435 1.00 1.00 C ATOM 730 CG LYS A 46 3.491 -2.492 3.884 1.00 1.00 C ATOM 731 CD LYS A 46 4.457 -1.732 4.821 1.00 1.00 C ATOM 732 CE LYS A 46 3.858 -1.589 6.233 1.00 1.00 C ATOM 733 NZ LYS A 46 2.927 -0.427 6.255 1.00 1.00 N ATOM 0 H LYS A 46 3.111 -2.280 1.181 1.00 1.00 H new ATOM 0 HA LYS A 46 1.140 -3.268 2.883 1.00 1.00 H new ATOM 0 HB2 LYS A 46 2.764 -0.678 2.959 1.00 1.00 H new ATOM 0 HB3 LYS A 46 1.783 -1.234 4.301 1.00 1.00 H new ATOM 0 HG2 LYS A 46 3.082 -3.361 4.399 1.00 1.00 H new ATOM 0 HG3 LYS A 46 4.033 -2.863 3.014 1.00 1.00 H new ATOM 0 HD2 LYS A 46 5.407 -2.263 4.877 1.00 1.00 H new ATOM 0 HD3 LYS A 46 4.667 -0.745 4.409 1.00 1.00 H new ATOM 0 HE2 LYS A 46 3.328 -2.500 6.510 1.00 1.00 H new ATOM 0 HE3 LYS A 46 4.653 -1.447 6.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 2.992 0.052 7.176 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 3.185 0.239 5.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 1.953 -0.760 6.106 1.00 1.00 H new ATOM 747 N GLY A 47 0.337 -0.401 1.423 1.00 1.00 N ATOM 748 CA GLY A 47 -0.787 0.478 1.127 1.00 1.00 C ATOM 749 C GLY A 47 -1.963 -0.307 0.543 1.00 1.00 C ATOM 750 O GLY A 47 -3.101 -0.144 0.980 1.00 1.00 O ATOM 0 H GLY A 47 1.217 -0.131 0.983 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.103 0.988 2.037 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.474 1.248 0.422 1.00 1.00 H new ATOM 754 N LYS A 48 -1.671 -1.156 -0.438 1.00 1.00 N ATOM 755 CA LYS A 48 -2.713 -1.966 -1.066 1.00 1.00 C ATOM 756 C LYS A 48 -3.371 -2.887 -0.036 1.00 1.00 C ATOM 757 O LYS A 48 -4.564 -3.174 -0.121 1.00 1.00 O ATOM 758 CB LYS A 48 -2.122 -2.806 -2.211 1.00 1.00 C ATOM 759 CG LYS A 48 -1.771 -1.903 -3.404 1.00 1.00 C ATOM 760 CD LYS A 48 -1.086 -2.730 -4.507 1.00 1.00 C ATOM 761 CE LYS A 48 -0.740 -1.830 -5.704 1.00 1.00 C ATOM 762 NZ LYS A 48 -1.973 -1.527 -6.486 1.00 1.00 N ATOM 0 H LYS A 48 -0.733 -1.301 -0.813 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.469 -1.293 -1.472 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.230 -3.328 -1.866 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -2.838 -3.568 -2.520 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.675 -1.437 -3.796 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.112 -1.098 -3.080 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -0.180 -3.192 -4.116 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.743 -3.538 -4.828 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -0.285 -0.904 -5.354 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -0.007 -2.324 -6.342 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -1.719 -0.989 -7.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.436 -2.416 -6.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -2.624 -0.964 -5.903 1.00 1.00 H new ATOM 776 N ALA A 49 -2.589 -3.349 0.936 1.00 1.00 N ATOM 777 CA ALA A 49 -3.122 -4.239 1.961 1.00 1.00 C ATOM 778 C ALA A 49 -4.117 -3.504 2.852 1.00 1.00 C ATOM 779 O ALA A 49 -5.228 -3.981 3.082 1.00 1.00 O ATOM 780 CB ALA A 49 -1.976 -4.788 2.813 1.00 1.00 C ATOM 0 H ALA A 49 -1.599 -3.126 1.035 1.00 1.00 H new ATOM 0 HA ALA A 49 -3.640 -5.062 1.469 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.377 -5.453 3.578 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.284 -5.341 2.179 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.449 -3.962 3.290 1.00 1.00 H new ATOM 786 N LEU A 50 -3.693 -2.343 3.341 1.00 1.00 N ATOM 787 CA LEU A 50 -4.553 -1.542 4.206 1.00 1.00 C ATOM 788 C LEU A 50 -5.789 -1.062 3.447 1.00 1.00 C ATOM 789 O LEU A 50 -6.894 -1.048 3.989 1.00 1.00 O ATOM 790 CB LEU A 50 -3.768 -0.344 4.737 1.00 1.00 C ATOM 791 CG LEU A 50 -2.703 -0.813 5.763 1.00 1.00 C ATOM 792 CD1 LEU A 50 -1.659 0.295 5.940 1.00 1.00 C ATOM 793 CD2 LEU A 50 -3.356 -1.125 7.130 1.00 1.00 C ATOM 0 H LEU A 50 -2.774 -1.940 3.157 1.00 1.00 H new ATOM 0 HA LEU A 50 -4.884 -2.160 5.041 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.283 0.177 3.911 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.448 0.366 5.207 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.231 -1.722 5.390 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -0.906 -0.026 6.660 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.181 0.501 4.982 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.146 1.199 6.304 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.590 -1.452 7.833 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -3.842 -0.228 7.514 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -4.097 -1.915 7.007 1.00 1.00 H new ATOM 805 N TYR A 51 -5.587 -0.668 2.196 1.00 1.00 N ATOM 806 CA TYR A 51 -6.699 -0.185 1.386 1.00 1.00 C ATOM 807 C TYR A 51 -7.766 -1.270 1.248 1.00 1.00 C ATOM 808 O TYR A 51 -8.947 -1.029 1.497 1.00 1.00 O ATOM 809 CB TYR A 51 -6.170 0.235 -0.008 1.00 1.00 C ATOM 810 CG TYR A 51 -7.260 0.063 -1.057 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.323 0.966 -1.116 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.209 -1.015 -1.945 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.339 0.792 -2.070 1.00 1.00 C ATOM 814 CE2 TYR A 51 -8.217 -1.190 -2.894 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.282 -0.286 -2.959 1.00 1.00 C ATOM 816 OH TYR A 51 -10.274 -0.458 -3.898 1.00 1.00 O ATOM 0 H TYR A 51 -4.681 -0.672 1.727 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.154 0.678 1.873 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -5.840 1.274 0.018 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.302 -0.368 -0.273 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.364 1.798 -0.428 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -6.387 -1.714 -1.897 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.162 1.489 -2.117 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -8.175 -2.024 -3.579 1.00 1.00 H new ATOM 0 HH TYR A 51 -10.081 -1.254 -4.436 1.00 1.00 H new ATOM 826 N ASN A 52 -7.356 -2.470 0.848 1.00 1.00 N ATOM 827 CA ASN A 52 -8.295 -3.560 0.671 1.00 1.00 C ATOM 828 C ASN A 52 -8.966 -3.908 1.990 1.00 1.00 C ATOM 829 O ASN A 52 -10.070 -4.451 2.001 1.00 1.00 O ATOM 830 CB ASN A 52 -7.563 -4.782 0.115 1.00 1.00 C ATOM 831 CG ASN A 52 -8.545 -5.930 -0.086 1.00 1.00 C ATOM 832 OD1 ASN A 52 -9.701 -5.704 -0.443 1.00 1.00 O ATOM 833 ND2 ASN A 52 -8.149 -7.155 0.119 1.00 1.00 N ATOM 0 H ASN A 52 -6.385 -2.706 0.643 1.00 1.00 H new ATOM 0 HA ASN A 52 -9.066 -3.249 -0.034 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -7.086 -4.531 -0.832 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -6.771 -5.085 0.800 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -8.798 -7.930 -0.016 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -7.190 -7.338 0.415 1.00 1.00 H new ATOM 840 N LEU A 53 -8.290 -3.593 3.089 1.00 1.00 N ATOM 841 CA LEU A 53 -8.814 -3.872 4.424 1.00 1.00 C ATOM 842 C LEU A 53 -9.874 -2.852 4.816 1.00 1.00 C ATOM 843 O LEU A 53 -10.264 -2.754 5.980 1.00 1.00 O ATOM 844 CB LEU A 53 -7.669 -3.879 5.458 1.00 1.00 C ATOM 845 CG LEU A 53 -6.867 -5.194 5.348 1.00 1.00 C ATOM 846 CD1 LEU A 53 -5.537 -5.060 6.115 1.00 1.00 C ATOM 847 CD2 LEU A 53 -7.699 -6.371 5.917 1.00 1.00 C ATOM 0 H LEU A 53 -7.375 -3.143 3.083 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.279 -4.857 4.408 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.011 -3.027 5.290 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.076 -3.774 6.464 1.00 1.00 H new ATOM 0 HG LEU A 53 -6.650 -5.395 4.299 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -4.975 -5.990 6.034 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -4.952 -4.245 5.689 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -5.742 -4.850 7.165 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -7.126 -7.295 5.835 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -7.931 -6.179 6.965 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -8.626 -6.468 5.352 1.00 1.00 H new ATOM 859 N GLU A 54 -10.361 -2.095 3.839 1.00 1.00 N ATOM 860 CA GLU A 54 -11.391 -1.081 4.046 1.00 1.00 C ATOM 861 C GLU A 54 -10.807 0.125 4.774 1.00 1.00 C ATOM 862 O GLU A 54 -11.533 1.038 5.165 1.00 1.00 O ATOM 863 CB GLU A 54 -12.550 -1.682 4.887 1.00 1.00 C ATOM 864 CG GLU A 54 -13.848 -0.899 4.659 1.00 1.00 C ATOM 865 CD GLU A 54 -14.373 -1.141 3.247 1.00 1.00 C ATOM 866 OE1 GLU A 54 -13.806 -1.977 2.559 1.00 1.00 O ATOM 867 OE2 GLU A 54 -15.332 -0.487 2.872 1.00 1.00 O ATOM 0 H GLU A 54 -10.049 -2.168 2.871 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.769 -0.760 3.076 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -12.698 -2.727 4.617 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -12.288 -1.660 5.945 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -14.597 -1.204 5.390 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -13.670 0.166 4.810 1.00 1.00 H new ATOM 874 N ARG A 55 -9.490 0.136 4.954 1.00 1.00 N ATOM 875 CA ARG A 55 -8.808 1.228 5.635 1.00 1.00 C ATOM 876 C ARG A 55 -8.324 2.258 4.619 1.00 1.00 C ATOM 877 O ARG A 55 -7.122 2.463 4.447 1.00 1.00 O ATOM 878 CB ARG A 55 -7.618 0.674 6.437 1.00 1.00 C ATOM 879 CG ARG A 55 -7.993 -0.658 7.096 1.00 1.00 C ATOM 880 CD ARG A 55 -9.165 -0.452 8.055 1.00 1.00 C ATOM 881 NE ARG A 55 -8.894 0.659 8.958 1.00 1.00 N ATOM 882 CZ ARG A 55 -9.810 1.085 9.820 1.00 1.00 C ATOM 883 NH1 ARG A 55 -10.979 0.506 9.869 1.00 1.00 N ATOM 884 NH2 ARG A 55 -9.542 2.082 10.617 1.00 1.00 N ATOM 0 H ARG A 55 -8.870 -0.608 4.634 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.504 1.714 6.319 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -6.761 0.533 5.778 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.319 1.393 7.200 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -8.260 -1.389 6.333 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -7.136 -1.060 7.636 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -10.076 -0.255 7.489 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -9.337 -1.362 8.630 1.00 1.00 H new ATOM 0 HE ARG A 55 -7.984 1.118 8.927 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -11.189 -0.273 9.245 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -11.683 0.833 10.531 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -8.629 2.535 10.578 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -10.246 2.409 11.279 1.00 1.00 H new ATOM 898 N TYR A 56 -9.270 2.908 3.950 1.00 1.00 N ATOM 899 CA TYR A 56 -8.932 3.908 2.950 1.00 1.00 C ATOM 900 C TYR A 56 -8.066 5.000 3.573 1.00 1.00 C ATOM 901 O TYR A 56 -7.108 5.475 2.964 1.00 1.00 O ATOM 902 CB TYR A 56 -10.215 4.527 2.390 1.00 1.00 C ATOM 903 CG TYR A 56 -11.187 3.424 2.026 1.00 1.00 C ATOM 904 CD1 TYR A 56 -11.043 2.736 0.819 1.00 1.00 C ATOM 905 CD2 TYR A 56 -12.229 3.089 2.900 1.00 1.00 C ATOM 906 CE1 TYR A 56 -11.937 1.713 0.484 1.00 1.00 C ATOM 907 CE2 TYR A 56 -13.124 2.071 2.563 1.00 1.00 C ATOM 908 CZ TYR A 56 -12.980 1.383 1.354 1.00 1.00 C ATOM 909 OH TYR A 56 -13.862 0.375 1.024 1.00 1.00 O ATOM 0 H TYR A 56 -10.270 2.760 4.082 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.376 3.431 2.143 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.663 5.193 3.128 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -9.987 5.131 1.512 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -10.241 2.994 0.144 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -12.340 3.618 3.835 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -11.821 1.178 -0.447 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -13.928 1.815 3.237 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.697 0.494 1.523 1.00 1.00 H new ATOM 919 N GLU A 57 -8.412 5.390 4.795 1.00 1.00 N ATOM 920 CA GLU A 57 -7.651 6.427 5.485 1.00 1.00 C ATOM 921 C GLU A 57 -6.246 5.938 5.832 1.00 1.00 C ATOM 922 O GLU A 57 -5.254 6.601 5.529 1.00 1.00 O ATOM 923 CB GLU A 57 -8.395 6.842 6.763 1.00 1.00 C ATOM 924 CG GLU A 57 -8.567 5.629 7.699 1.00 1.00 C ATOM 925 CD GLU A 57 -9.651 5.909 8.732 1.00 1.00 C ATOM 926 OE1 GLU A 57 -9.391 6.687 9.635 1.00 1.00 O ATOM 927 OE2 GLU A 57 -10.722 5.344 8.601 1.00 1.00 O ATOM 0 H GLU A 57 -9.200 5.012 5.321 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.554 7.287 4.822 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -7.842 7.629 7.275 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -9.371 7.253 6.506 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -8.829 4.746 7.117 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -7.624 5.411 8.201 1.00 1.00 H new ATOM 934 N GLU A 58 -6.182 4.774 6.472 1.00 1.00 N ATOM 935 CA GLU A 58 -4.894 4.220 6.870 1.00 1.00 C ATOM 936 C GLU A 58 -4.011 3.993 5.646 1.00 1.00 C ATOM 937 O GLU A 58 -2.820 4.308 5.658 1.00 1.00 O ATOM 938 CB GLU A 58 -5.099 2.890 7.622 1.00 1.00 C ATOM 939 CG GLU A 58 -3.887 2.593 8.513 1.00 1.00 C ATOM 940 CD GLU A 58 -4.136 1.337 9.335 1.00 1.00 C ATOM 941 OE1 GLU A 58 -5.280 0.922 9.420 1.00 1.00 O ATOM 942 OE2 GLU A 58 -3.175 0.803 9.866 1.00 1.00 O ATOM 0 H GLU A 58 -6.991 4.206 6.722 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.400 4.932 7.532 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -6.002 2.943 8.230 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -5.242 2.079 6.908 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -2.997 2.463 7.898 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -3.697 3.438 9.175 1.00 1.00 H new ATOM 949 N ALA A 59 -4.602 3.446 4.589 1.00 1.00 N ATOM 950 CA ALA A 59 -3.859 3.178 3.367 1.00 1.00 C ATOM 951 C ALA A 59 -3.289 4.472 2.796 1.00 1.00 C ATOM 952 O ALA A 59 -2.133 4.519 2.378 1.00 1.00 O ATOM 953 CB ALA A 59 -4.771 2.505 2.345 1.00 1.00 C ATOM 0 H ALA A 59 -5.587 3.182 4.555 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.029 2.510 3.598 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.210 2.306 1.432 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.144 1.566 2.753 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.611 3.162 2.119 1.00 1.00 H new ATOM 959 N VAL A 60 -4.106 5.521 2.786 1.00 1.00 N ATOM 960 CA VAL A 60 -3.669 6.816 2.278 1.00 1.00 C ATOM 961 C VAL A 60 -2.449 7.294 3.061 1.00 1.00 C ATOM 962 O VAL A 60 -1.499 7.818 2.479 1.00 1.00 O ATOM 963 CB VAL A 60 -4.822 7.839 2.376 1.00 1.00 C ATOM 964 CG1 VAL A 60 -4.292 9.283 2.229 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.842 7.568 1.253 1.00 1.00 C ATOM 0 H VAL A 60 -5.069 5.500 3.122 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.389 6.717 1.229 1.00 1.00 H new ATOM 0 HB VAL A 60 -5.293 7.733 3.353 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -5.123 9.985 2.301 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.573 9.489 3.022 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.806 9.395 1.260 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.657 8.289 1.320 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.351 7.664 0.285 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -6.240 6.559 1.359 1.00 1.00 H new ATOM 975 N ASP A 61 -2.456 7.126 4.378 1.00 1.00 N ATOM 976 CA ASP A 61 -1.343 7.562 5.204 1.00 1.00 C ATOM 977 C ASP A 61 -0.066 6.834 4.800 1.00 1.00 C ATOM 978 O ASP A 61 1.016 7.417 4.847 1.00 1.00 O ATOM 979 CB ASP A 61 -1.654 7.300 6.684 1.00 1.00 C ATOM 980 CG ASP A 61 -2.720 8.277 7.186 1.00 1.00 C ATOM 981 OD1 ASP A 61 -2.996 9.238 6.490 1.00 1.00 O ATOM 982 OD2 ASP A 61 -3.243 8.045 8.264 1.00 1.00 O ATOM 0 H ASP A 61 -3.221 6.691 4.894 1.00 1.00 H new ATOM 0 HA ASP A 61 -1.195 8.632 5.056 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -2.001 6.275 6.813 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -0.746 7.406 7.277 1.00 1.00 H new ATOM 987 N CYS A 62 -0.201 5.572 4.407 1.00 1.00 N ATOM 988 CA CYS A 62 0.959 4.797 3.991 1.00 1.00 C ATOM 989 C CYS A 62 1.496 5.311 2.661 1.00 1.00 C ATOM 990 O CYS A 62 2.685 5.608 2.543 1.00 1.00 O ATOM 991 CB CYS A 62 0.590 3.320 3.859 1.00 1.00 C ATOM 992 SG CYS A 62 0.225 2.655 5.499 1.00 1.00 S ATOM 0 H CYS A 62 -1.089 5.071 4.368 1.00 1.00 H new ATOM 0 HA CYS A 62 1.733 4.906 4.751 1.00 1.00 H new ATOM 0 HB2 CYS A 62 -0.275 3.205 3.205 1.00 1.00 H new ATOM 0 HB3 CYS A 62 1.411 2.766 3.402 1.00 1.00 H new ATOM 0 HG CYS A 62 -0.928 3.101 5.902 1.00 1.00 H new ATOM 998 N TYR A 63 0.619 5.412 1.667 1.00 1.00 N ATOM 999 CA TYR A 63 1.049 5.894 0.361 1.00 1.00 C ATOM 1000 C TYR A 63 1.767 7.238 0.489 1.00 1.00 C ATOM 1001 O TYR A 63 2.780 7.477 -0.168 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.166 6.043 -0.565 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.709 4.671 -0.951 1.00 1.00 C ATOM 1004 CD1 TYR A 63 0.102 3.761 -1.647 1.00 1.00 C ATOM 1005 CD2 TYR A 63 -2.026 4.311 -0.624 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.400 2.509 -2.009 1.00 1.00 C ATOM 1007 CE2 TYR A 63 -2.523 3.058 -0.986 1.00 1.00 C ATOM 1008 CZ TYR A 63 -1.713 2.158 -1.680 1.00 1.00 C ATOM 1009 OH TYR A 63 -2.203 0.919 -2.034 1.00 1.00 O ATOM 0 H TYR A 63 -0.370 5.173 1.737 1.00 1.00 H new ATOM 0 HA TYR A 63 1.743 5.168 -0.063 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.943 6.622 -0.066 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.117 6.595 -1.461 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.116 4.030 -1.903 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -2.657 5.006 -0.090 1.00 1.00 H new ATOM 0 HE1 TYR A 63 0.227 1.811 -2.544 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.536 2.785 -0.729 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.131 0.835 -1.730 1.00 1.00 H new ATOM 1019 N ASN A 64 1.236 8.111 1.339 1.00 1.00 N ATOM 1020 CA ASN A 64 1.845 9.420 1.536 1.00 1.00 C ATOM 1021 C ASN A 64 3.259 9.276 2.095 1.00 1.00 C ATOM 1022 O ASN A 64 4.132 10.086 1.785 1.00 1.00 O ATOM 1023 CB ASN A 64 0.986 10.258 2.483 1.00 1.00 C ATOM 1024 CG ASN A 64 1.633 11.619 2.709 1.00 1.00 C ATOM 1025 OD1 ASN A 64 1.958 12.319 1.750 1.00 1.00 O ATOM 1026 ND2 ASN A 64 1.843 12.036 3.927 1.00 1.00 N ATOM 0 H ASN A 64 0.398 7.939 1.895 1.00 1.00 H new ATOM 0 HA ASN A 64 1.906 9.924 0.572 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.012 10.386 2.064 1.00 1.00 H new ATOM 0 HB3 ASN A 64 0.868 9.740 3.435 1.00 1.00 H new ATOM 0 HD21 ASN A 64 2.278 12.945 4.087 1.00 1.00 H new ATOM 0 HD22 ASN A 64 1.572 11.453 4.719 1.00 1.00 H new ATOM 1033 N TYR A 65 3.447 8.243 2.909 1.00 1.00 N ATOM 1034 CA TYR A 65 4.757 8.004 3.507 1.00 1.00 C ATOM 1035 C TYR A 65 5.814 7.872 2.416 1.00 1.00 C ATOM 1036 O TYR A 65 6.905 8.430 2.534 1.00 1.00 O ATOM 1037 CB TYR A 65 4.726 6.728 4.351 1.00 1.00 C ATOM 1038 CG TYR A 65 6.046 6.544 5.056 1.00 1.00 C ATOM 1039 CD1 TYR A 65 7.095 5.875 4.410 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.222 7.036 6.352 1.00 1.00 C ATOM 1041 CE1 TYR A 65 8.320 5.699 5.062 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.447 6.861 7.005 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.497 6.192 6.361 1.00 1.00 C ATOM 1044 OH TYR A 65 9.704 6.023 7.005 1.00 1.00 O ATOM 0 H TYR A 65 2.726 7.570 3.167 1.00 1.00 H new ATOM 0 HA TYR A 65 5.008 8.849 4.148 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.919 6.785 5.081 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.521 5.867 3.715 1.00 1.00 H new ATOM 0 HD1 TYR A 65 6.957 5.495 3.408 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.413 7.551 6.849 1.00 1.00 H new ATOM 0 HE1 TYR A 65 9.128 5.184 4.564 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.584 7.242 8.006 1.00 1.00 H new ATOM 0 HH TYR A 65 9.658 6.425 7.898 1.00 1.00 H new ATOM 1054 N VAL A 66 5.483 7.131 1.363 1.00 1.00 N ATOM 1055 CA VAL A 66 6.418 6.939 0.254 1.00 1.00 C ATOM 1056 C VAL A 66 6.607 8.240 -0.526 1.00 1.00 C ATOM 1057 O VAL A 66 7.728 8.607 -0.877 1.00 1.00 O ATOM 1058 CB VAL A 66 5.907 5.837 -0.684 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.804 5.735 -1.931 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.921 4.500 0.061 1.00 1.00 C ATOM 0 H VAL A 66 4.586 6.658 1.252 1.00 1.00 H new ATOM 0 HA VAL A 66 7.381 6.639 0.667 1.00 1.00 H new ATOM 0 HB VAL A 66 4.893 6.080 -1.000 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.428 4.949 -2.586 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.796 6.686 -2.464 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.824 5.498 -1.627 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.559 3.712 -0.599 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.939 4.270 0.377 1.00 1.00 H new ATOM 0 HG23 VAL A 66 5.275 4.565 0.937 1.00 1.00 H new ATOM 1070 N ILE A 67 5.511 8.940 -0.801 1.00 1.00 N ATOM 1071 CA ILE A 67 5.562 10.192 -1.552 1.00 1.00 C ATOM 1072 C ILE A 67 6.171 11.290 -0.688 1.00 1.00 C ATOM 1073 O ILE A 67 6.735 12.260 -1.195 1.00 1.00 O ATOM 1074 CB ILE A 67 4.153 10.582 -2.027 1.00 1.00 C ATOM 1075 CG1 ILE A 67 3.547 9.428 -2.843 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.220 11.836 -2.917 1.00 1.00 C ATOM 1077 CD1 ILE A 67 2.060 9.700 -3.086 1.00 1.00 C ATOM 0 H ILE A 67 4.573 8.661 -0.514 1.00 1.00 H new ATOM 0 HA ILE A 67 6.191 10.059 -2.432 1.00 1.00 H new ATOM 0 HB ILE A 67 3.535 10.789 -1.153 1.00 1.00 H new ATOM 0 HG12 ILE A 67 4.069 9.328 -3.794 1.00 1.00 H new ATOM 0 HG13 ILE A 67 3.673 8.486 -2.309 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.216 12.102 -3.247 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.646 12.663 -2.349 1.00 1.00 H new ATOM 0 HG23 ILE A 67 4.845 11.632 -3.786 1.00 1.00 H new ATOM 0 HD11 ILE A 67 1.630 8.882 -3.664 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.543 9.779 -2.129 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.946 10.633 -3.637 1.00 1.00 H new ATOM 1089 N ASN A 68 6.059 11.141 0.626 1.00 1.00 N ATOM 1090 CA ASN A 68 6.598 12.131 1.560 1.00 1.00 C ATOM 1091 C ASN A 68 8.054 11.834 1.893 1.00 1.00 C ATOM 1092 O ASN A 68 8.948 12.571 1.476 1.00 1.00 O ATOM 1093 CB ASN A 68 5.761 12.133 2.843 1.00 1.00 C ATOM 1094 CG ASN A 68 6.289 13.187 3.808 1.00 1.00 C ATOM 1095 OD1 ASN A 68 7.160 12.898 4.628 1.00 1.00 O ATOM 1096 ND2 ASN A 68 5.814 14.401 3.754 1.00 1.00 N ATOM 0 H ASN A 68 5.601 10.346 1.072 1.00 1.00 H new ATOM 0 HA ASN A 68 6.551 13.112 1.088 1.00 1.00 H new ATOM 0 HB2 ASN A 68 4.717 12.336 2.605 1.00 1.00 H new ATOM 0 HB3 ASN A 68 5.796 11.149 3.311 1.00 1.00 H new ATOM 0 HD21 ASN A 68 6.165 15.115 4.393 1.00 1.00 H new ATOM 0 HD22 ASN A 68 5.092 14.636 3.073 1.00 1.00 H new ATOM 1103 N VAL A 69 8.258 10.758 2.644 1.00 1.00 N ATOM 1104 CA VAL A 69 9.612 10.374 3.037 1.00 1.00 C ATOM 1105 C VAL A 69 10.523 10.317 1.817 1.00 1.00 C ATOM 1106 O VAL A 69 11.644 10.824 1.851 1.00 1.00 O ATOM 1107 CB VAL A 69 9.594 9.002 3.726 1.00 1.00 C ATOM 1108 CG1 VAL A 69 11.035 8.574 4.071 1.00 1.00 C ATOM 1109 CG2 VAL A 69 8.715 9.071 5.014 1.00 1.00 C ATOM 0 H VAL A 69 7.519 10.145 2.989 1.00 1.00 H new ATOM 0 HA VAL A 69 9.993 11.122 3.732 1.00 1.00 H new ATOM 0 HB VAL A 69 9.164 8.261 3.052 1.00 1.00 H new ATOM 0 HG11 VAL A 69 11.018 7.600 4.560 1.00 1.00 H new ATOM 0 HG12 VAL A 69 11.625 8.511 3.156 1.00 1.00 H new ATOM 0 HG13 VAL A 69 11.482 9.308 4.741 1.00 1.00 H new ATOM 0 HG21 VAL A 69 8.705 8.095 5.500 1.00 1.00 H new ATOM 0 HG22 VAL A 69 9.129 9.813 5.697 1.00 1.00 H new ATOM 0 HG23 VAL A 69 7.697 9.353 4.745 1.00 1.00 H new ATOM 1119 N ILE A 70 10.048 9.710 0.735 1.00 1.00 N ATOM 1120 CA ILE A 70 10.829 9.594 -0.496 1.00 1.00 C ATOM 1121 C ILE A 70 10.264 10.534 -1.555 1.00 1.00 C ATOM 1122 O ILE A 70 9.100 10.442 -1.948 1.00 1.00 O ATOM 1123 CB ILE A 70 10.786 8.143 -1.013 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.108 7.176 0.133 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.820 7.964 -2.131 1.00 1.00 C ATOM 1126 CD1 ILE A 70 11.036 5.730 -0.374 1.00 1.00 C ATOM 0 H ILE A 70 9.121 9.288 0.683 1.00 1.00 H new ATOM 0 HA ILE A 70 11.863 9.867 -0.287 1.00 1.00 H new ATOM 0 HB ILE A 70 9.789 7.931 -1.399 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.102 7.384 0.528 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.403 7.320 0.952 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.788 6.937 -2.495 1.00 1.00 H new ATOM 0 HG22 ILE A 70 11.593 8.647 -2.950 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.816 8.181 -1.744 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.265 5.046 0.443 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.033 5.525 -0.748 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.759 5.590 -1.178 1.00 1.00 H new ATOM 1138 N GLU A 71 11.089 11.459 -2.038 1.00 1.00 N ATOM 1139 CA GLU A 71 10.672 12.414 -3.054 1.00 1.00 C ATOM 1140 C GLU A 71 10.581 11.735 -4.416 1.00 1.00 C ATOM 1141 O GLU A 71 10.583 12.394 -5.455 1.00 1.00 O ATOM 1142 CB GLU A 71 11.680 13.568 -3.125 1.00 1.00 C ATOM 1143 CG GLU A 71 11.682 14.354 -1.808 1.00 1.00 C ATOM 1144 CD GLU A 71 10.347 15.064 -1.613 1.00 1.00 C ATOM 1145 OE1 GLU A 71 9.646 15.244 -2.595 1.00 1.00 O ATOM 1146 OE2 GLU A 71 10.043 15.418 -0.483 1.00 1.00 O ATOM 0 H GLU A 71 12.058 11.566 -1.737 1.00 1.00 H new ATOM 0 HA GLU A 71 9.689 12.802 -2.786 1.00 1.00 H new ATOM 0 HB2 GLU A 71 12.678 13.177 -3.325 1.00 1.00 H new ATOM 0 HB3 GLU A 71 11.426 14.231 -3.952 1.00 1.00 H new ATOM 0 HG2 GLU A 71 11.867 13.678 -0.973 1.00 1.00 H new ATOM 0 HG3 GLU A 71 12.492 15.083 -1.813 1.00 1.00 H new ATOM 1153 N ASP A 72 10.499 10.409 -4.429 1.00 1.00 N ATOM 1154 CA ASP A 72 10.404 9.652 -5.672 1.00 1.00 C ATOM 1155 C ASP A 72 9.029 9.847 -6.311 1.00 1.00 C ATOM 1156 O ASP A 72 8.432 8.898 -6.820 1.00 1.00 O ATOM 1157 CB ASP A 72 10.649 8.159 -5.389 1.00 1.00 C ATOM 1158 CG ASP A 72 10.542 7.341 -6.671 1.00 1.00 C ATOM 1159 OD1 ASP A 72 10.499 7.941 -7.731 1.00 1.00 O ATOM 1160 OD2 ASP A 72 10.505 6.125 -6.572 1.00 1.00 O ATOM 0 H ASP A 72 10.496 9.833 -3.587 1.00 1.00 H new ATOM 0 HA ASP A 72 11.162 10.015 -6.366 1.00 1.00 H new ATOM 0 HB2 ASP A 72 11.637 8.025 -4.948 1.00 1.00 H new ATOM 0 HB3 ASP A 72 9.923 7.798 -4.660 1.00 1.00 H new ATOM 1165 N GLU A 73 8.528 11.077 -6.289 1.00 1.00 N ATOM 1166 CA GLU A 73 7.225 11.394 -6.867 1.00 1.00 C ATOM 1167 C GLU A 73 7.219 11.095 -8.364 1.00 1.00 C ATOM 1168 O GLU A 73 7.230 12.003 -9.195 1.00 1.00 O ATOM 1169 CB GLU A 73 6.904 12.875 -6.630 1.00 1.00 C ATOM 1170 CG GLU A 73 5.471 13.178 -7.073 1.00 1.00 C ATOM 1171 CD GLU A 73 5.120 14.627 -6.751 1.00 1.00 C ATOM 1172 OE1 GLU A 73 5.819 15.221 -5.946 1.00 1.00 O ATOM 1173 OE2 GLU A 73 4.161 15.124 -7.320 1.00 1.00 O ATOM 0 H GLU A 73 9.007 11.876 -5.875 1.00 1.00 H new ATOM 0 HA GLU A 73 6.466 10.777 -6.386 1.00 1.00 H new ATOM 0 HB2 GLU A 73 7.026 13.117 -5.574 1.00 1.00 H new ATOM 0 HB3 GLU A 73 7.604 13.500 -7.184 1.00 1.00 H new ATOM 0 HG2 GLU A 73 5.367 12.999 -8.143 1.00 1.00 H new ATOM 0 HG3 GLU A 73 4.776 12.506 -6.569 1.00 1.00 H new ATOM 1180 N TYR A 74 7.195 9.807 -8.697 1.00 1.00 N ATOM 1181 CA TYR A 74 7.183 9.393 -10.091 1.00 1.00 C ATOM 1182 C TYR A 74 6.860 7.907 -10.199 1.00 1.00 C ATOM 1183 O TYR A 74 7.364 7.220 -11.087 1.00 1.00 O ATOM 1184 CB TYR A 74 8.548 9.657 -10.721 1.00 1.00 C ATOM 1185 CG TYR A 74 8.506 9.279 -12.190 1.00 1.00 C ATOM 1186 CD1 TYR A 74 7.713 10.019 -13.077 1.00 1.00 C ATOM 1187 CD2 TYR A 74 9.244 8.183 -12.661 1.00 1.00 C ATOM 1188 CE1 TYR A 74 7.663 9.664 -14.429 1.00 1.00 C ATOM 1189 CE2 TYR A 74 9.191 7.832 -14.009 1.00 1.00 C ATOM 1190 CZ TYR A 74 8.402 8.570 -14.895 1.00 1.00 C ATOM 1191 OH TYR A 74 8.354 8.223 -16.230 1.00 1.00 O ATOM 0 H TYR A 74 7.184 9.040 -8.025 1.00 1.00 H new ATOM 0 HA TYR A 74 6.419 9.965 -10.617 1.00 1.00 H new ATOM 0 HB2 TYR A 74 8.814 10.708 -10.612 1.00 1.00 H new ATOM 0 HB3 TYR A 74 9.316 9.079 -10.207 1.00 1.00 H new ATOM 0 HD1 TYR A 74 7.141 10.862 -12.717 1.00 1.00 H new ATOM 0 HD2 TYR A 74 9.854 7.610 -11.978 1.00 1.00 H new ATOM 0 HE1 TYR A 74 7.054 10.234 -15.114 1.00 1.00 H new ATOM 0 HE2 TYR A 74 9.761 6.988 -14.369 1.00 1.00 H new ATOM 0 HH TYR A 74 8.925 7.442 -16.386 1.00 1.00 H new ATOM 1201 N ASN A 75 6.017 7.416 -9.296 1.00 1.00 N ATOM 1202 CA ASN A 75 5.629 6.004 -9.300 1.00 1.00 C ATOM 1203 C ASN A 75 4.179 5.853 -9.762 1.00 1.00 C ATOM 1204 O ASN A 75 3.231 6.200 -9.057 1.00 1.00 O ATOM 1205 CB ASN A 75 5.817 5.413 -7.898 1.00 1.00 C ATOM 1206 CG ASN A 75 7.302 5.294 -7.548 1.00 1.00 C ATOM 1207 OD1 ASN A 75 8.137 6.012 -8.101 1.00 1.00 O ATOM 1208 ND2 ASN A 75 7.678 4.417 -6.654 1.00 1.00 N ATOM 0 H ASN A 75 5.589 7.970 -8.554 1.00 1.00 H new ATOM 0 HA ASN A 75 6.265 5.459 -9.998 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.316 6.043 -7.163 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.348 4.430 -7.848 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.665 4.326 -6.413 1.00 1.00 H new ATOM 0 HD22 ASN A 75 6.984 3.824 -6.198 1.00 1.00 H new ATOM 1215 N LYS A 76 4.000 5.326 -10.969 1.00 1.00 N ATOM 1216 CA LYS A 76 2.666 5.125 -11.536 1.00 1.00 C ATOM 1217 C LYS A 76 1.877 4.107 -10.717 1.00 1.00 C ATOM 1218 O LYS A 76 0.667 4.238 -10.540 1.00 1.00 O ATOM 1219 CB LYS A 76 2.792 4.651 -12.989 1.00 1.00 C ATOM 1220 CG LYS A 76 3.502 3.292 -13.039 1.00 1.00 C ATOM 1221 CD LYS A 76 3.752 2.902 -14.493 1.00 1.00 C ATOM 1222 CE LYS A 76 4.466 1.542 -14.551 1.00 1.00 C ATOM 1223 NZ LYS A 76 4.731 1.174 -15.971 1.00 1.00 N ATOM 0 H LYS A 76 4.763 5.029 -11.577 1.00 1.00 H new ATOM 0 HA LYS A 76 2.127 6.072 -11.510 1.00 1.00 H new ATOM 0 HB2 LYS A 76 1.803 4.571 -13.441 1.00 1.00 H new ATOM 0 HB3 LYS A 76 3.350 5.384 -13.572 1.00 1.00 H new ATOM 0 HG2 LYS A 76 4.447 3.343 -12.497 1.00 1.00 H new ATOM 0 HG3 LYS A 76 2.893 2.533 -12.547 1.00 1.00 H new ATOM 0 HD2 LYS A 76 2.807 2.850 -15.033 1.00 1.00 H new ATOM 0 HD3 LYS A 76 4.358 3.663 -14.984 1.00 1.00 H new ATOM 0 HE2 LYS A 76 5.403 1.588 -13.996 1.00 1.00 H new ATOM 0 HE3 LYS A 76 3.852 0.777 -14.076 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 5.214 0.254 -16.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 3.830 1.113 -16.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 5.334 1.899 -16.411 1.00 1.00 H new ATOM 1237 N ASP A 77 2.578 3.093 -10.222 1.00 1.00 N ATOM 1238 CA ASP A 77 1.936 2.056 -9.425 1.00 1.00 C ATOM 1239 C ASP A 77 1.350 2.645 -8.148 1.00 1.00 C ATOM 1240 O ASP A 77 0.230 2.310 -7.762 1.00 1.00 O ATOM 1241 CB ASP A 77 2.958 0.973 -9.073 1.00 1.00 C ATOM 1242 CG ASP A 77 2.302 -0.134 -8.250 1.00 1.00 C ATOM 1243 OD1 ASP A 77 1.144 0.018 -7.893 1.00 1.00 O ATOM 1244 OD2 ASP A 77 2.967 -1.123 -7.993 1.00 1.00 O ATOM 0 H ASP A 77 3.581 2.968 -10.357 1.00 1.00 H new ATOM 0 HA ASP A 77 1.126 1.619 -10.008 1.00 1.00 H new ATOM 0 HB2 ASP A 77 3.381 0.554 -9.986 1.00 1.00 H new ATOM 0 HB3 ASP A 77 3.783 1.412 -8.511 1.00 1.00 H new ATOM 1249 N VAL A 78 2.108 3.519 -7.495 1.00 1.00 N ATOM 1250 CA VAL A 78 1.647 4.143 -6.262 1.00 1.00 C ATOM 1251 C VAL A 78 0.431 5.031 -6.534 1.00 1.00 C ATOM 1252 O VAL A 78 -0.564 4.970 -5.810 1.00 1.00 O ATOM 1253 CB VAL A 78 2.784 4.974 -5.625 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.255 5.787 -4.439 1.00 1.00 C ATOM 1255 CG2 VAL A 78 3.898 4.039 -5.127 1.00 1.00 C ATOM 0 H VAL A 78 3.038 3.809 -7.797 1.00 1.00 H new ATOM 0 HA VAL A 78 1.354 3.358 -5.565 1.00 1.00 H new ATOM 0 HB VAL A 78 3.177 5.653 -6.382 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.069 6.366 -4.003 1.00 1.00 H new ATOM 0 HG12 VAL A 78 1.472 6.463 -4.782 1.00 1.00 H new ATOM 0 HG13 VAL A 78 1.847 5.111 -3.687 1.00 1.00 H new ATOM 0 HG21 VAL A 78 4.696 4.631 -4.679 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.492 3.354 -4.382 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.296 3.468 -5.966 1.00 1.00 H new ATOM 1265 N TRP A 79 0.511 5.856 -7.573 1.00 1.00 N ATOM 1266 CA TRP A 79 -0.586 6.753 -7.918 1.00 1.00 C ATOM 1267 C TRP A 79 -1.840 5.952 -8.238 1.00 1.00 C ATOM 1268 O TRP A 79 -2.932 6.279 -7.775 1.00 1.00 O ATOM 1269 CB TRP A 79 -0.191 7.624 -9.120 1.00 1.00 C ATOM 1270 CG TRP A 79 1.075 8.389 -8.838 1.00 1.00 C ATOM 1271 CD1 TRP A 79 1.734 8.445 -7.649 1.00 1.00 C ATOM 1272 CD2 TRP A 79 1.844 9.212 -9.760 1.00 1.00 C ATOM 1273 NE1 TRP A 79 2.849 9.240 -7.791 1.00 1.00 N ATOM 1274 CE2 TRP A 79 2.961 9.739 -9.072 1.00 1.00 C ATOM 1275 CE3 TRP A 79 1.681 9.546 -11.115 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 3.883 10.569 -9.710 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 2.606 10.381 -11.758 1.00 1.00 C ATOM 1278 CH2 TRP A 79 3.706 10.892 -11.058 1.00 1.00 C ATOM 0 H TRP A 79 1.321 5.922 -8.189 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.795 7.400 -7.066 1.00 1.00 H new ATOM 0 HB2 TRP A 79 -0.052 6.995 -9.999 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.997 8.320 -9.350 1.00 1.00 H new ATOM 0 HD1 TRP A 79 1.431 7.946 -6.740 1.00 1.00 H new ATOM 0 HE1 TRP A 79 3.511 9.436 -7.041 1.00 1.00 H new ATOM 0 HE3 TRP A 79 0.837 9.157 -11.665 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 4.729 10.960 -9.165 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 2.469 10.632 -12.800 1.00 1.00 H new ATOM 0 HH2 TRP A 79 4.416 11.534 -11.559 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.692 4.892 -9.026 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.827 4.056 -9.386 1.00 1.00 C ATOM 1291 C ALA A 80 -3.459 3.433 -8.144 1.00 1.00 C ATOM 1292 O ALA A 80 -4.682 3.403 -8.015 1.00 1.00 O ATOM 1293 CB ALA A 80 -2.365 2.948 -10.336 1.00 1.00 C ATOM 0 H ALA A 80 -0.802 4.594 -9.425 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.574 4.679 -9.878 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -3.215 2.322 -10.606 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.943 3.394 -11.237 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.608 2.339 -9.843 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.615 2.944 -7.242 1.00 1.00 N ATOM 1300 CA ALA A 81 -3.109 2.323 -6.013 1.00 1.00 C ATOM 1301 C ALA A 81 -3.878 3.333 -5.167 1.00 1.00 C ATOM 1302 O ALA A 81 -4.968 3.042 -4.670 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.937 1.766 -5.203 1.00 1.00 C ATOM 0 H ALA A 81 -1.599 2.963 -7.334 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.783 1.511 -6.287 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -2.313 1.305 -4.289 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -1.408 1.019 -5.795 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -1.254 2.576 -4.947 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.304 4.520 -5.006 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.938 5.565 -4.215 1.00 1.00 C ATOM 1311 C LYS A 82 -5.286 5.951 -4.824 1.00 1.00 C ATOM 1312 O LYS A 82 -6.269 6.141 -4.108 1.00 1.00 O ATOM 1313 CB LYS A 82 -3.017 6.791 -4.150 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.388 7.678 -2.946 1.00 1.00 C ATOM 1315 CD LYS A 82 -2.409 8.882 -2.856 1.00 1.00 C ATOM 1316 CE LYS A 82 -3.017 10.107 -3.565 1.00 1.00 C ATOM 1317 NZ LYS A 82 -1.931 11.049 -3.937 1.00 1.00 N ATOM 0 H LYS A 82 -2.405 4.781 -5.411 1.00 1.00 H new ATOM 0 HA LYS A 82 -4.111 5.191 -3.206 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -1.979 6.470 -4.067 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -3.100 7.366 -5.073 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.412 8.037 -3.049 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -3.346 7.094 -2.026 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -2.206 9.119 -1.812 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -1.455 8.621 -3.315 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -3.562 9.793 -4.455 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -3.734 10.602 -2.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -2.339 11.877 -4.416 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -1.430 11.357 -3.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -1.263 10.573 -4.577 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.329 6.063 -6.148 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.566 6.428 -6.834 1.00 1.00 C ATOM 1333 C ALA A 83 -7.708 5.523 -6.387 1.00 1.00 C ATOM 1334 O ALA A 83 -8.787 6.006 -6.044 1.00 1.00 O ATOM 1335 CB ALA A 83 -6.376 6.307 -8.349 1.00 1.00 C ATOM 0 H ALA A 83 -4.530 5.908 -6.763 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.814 7.459 -6.581 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -7.302 6.581 -8.855 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.576 6.975 -8.670 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -6.114 5.280 -8.602 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.463 4.218 -6.392 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.478 3.257 -5.980 1.00 1.00 C ATOM 1343 C ASP A 84 -8.982 3.594 -4.579 1.00 1.00 C ATOM 1344 O ASP A 84 -10.183 3.522 -4.315 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.898 1.839 -5.991 1.00 1.00 C ATOM 1346 CG ASP A 84 -7.623 1.395 -7.426 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -7.693 2.235 -8.310 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -7.346 0.223 -7.619 1.00 1.00 O ATOM 0 H ASP A 84 -6.575 3.803 -6.675 1.00 1.00 H new ATOM 0 HA ASP A 84 -9.311 3.308 -6.682 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.976 1.810 -5.410 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -8.595 1.149 -5.516 1.00 1.00 H new ATOM 1353 N ALA A 85 -8.069 3.963 -3.687 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.447 4.313 -2.322 1.00 1.00 C ATOM 1355 C ALA A 85 -9.306 5.572 -2.305 1.00 1.00 C ATOM 1356 O ALA A 85 -10.288 5.659 -1.567 1.00 1.00 O ATOM 1357 CB ALA A 85 -7.191 4.528 -1.476 1.00 1.00 C ATOM 0 H ALA A 85 -7.070 4.027 -3.882 1.00 1.00 H new ATOM 0 HA ALA A 85 -9.030 3.493 -1.903 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.479 4.789 -0.458 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.600 3.612 -1.463 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.598 5.336 -1.904 1.00 1.00 H new ATOM 1363 N LEU A 86 -8.929 6.550 -3.123 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.668 7.805 -3.199 1.00 1.00 C ATOM 1365 C LEU A 86 -11.067 7.575 -3.762 1.00 1.00 C ATOM 1366 O LEU A 86 -12.042 8.153 -3.283 1.00 1.00 O ATOM 1367 CB LEU A 86 -8.905 8.793 -4.086 1.00 1.00 C ATOM 1368 CG LEU A 86 -7.558 9.155 -3.436 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -6.740 9.987 -4.424 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -7.761 9.955 -2.130 1.00 1.00 C ATOM 0 H LEU A 86 -8.119 6.498 -3.741 1.00 1.00 H new ATOM 0 HA LEU A 86 -9.767 8.216 -2.194 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.737 8.356 -5.070 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.500 9.694 -4.235 1.00 1.00 H new ATOM 0 HG LEU A 86 -7.032 8.233 -3.187 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -5.783 10.249 -3.974 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -6.568 9.408 -5.332 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -7.286 10.897 -4.672 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -6.790 10.195 -1.696 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -8.299 10.877 -2.348 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.337 9.358 -1.423 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.152 6.725 -4.780 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.439 6.427 -5.400 1.00 1.00 C ATOM 1384 C ARG A 87 -13.442 5.921 -4.363 1.00 1.00 C ATOM 1385 O ARG A 87 -14.613 5.712 -4.681 1.00 1.00 O ATOM 1386 CB ARG A 87 -12.255 5.377 -6.504 1.00 1.00 C ATOM 1387 CG ARG A 87 -11.592 6.021 -7.731 1.00 1.00 C ATOM 1388 CD ARG A 87 -11.298 4.956 -8.784 1.00 1.00 C ATOM 1389 NE ARG A 87 -12.539 4.374 -9.275 1.00 1.00 N ATOM 1390 CZ ARG A 87 -12.531 3.328 -10.093 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -11.395 2.807 -10.468 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -13.655 2.823 -10.520 1.00 1.00 N ATOM 0 H ARG A 87 -10.356 6.236 -5.189 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.831 7.346 -5.835 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.641 4.555 -6.137 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -13.221 4.955 -6.781 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -12.246 6.786 -8.149 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -10.668 6.518 -7.436 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -10.743 5.397 -9.612 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -10.667 4.177 -8.356 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.430 4.777 -8.986 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -10.517 3.203 -10.133 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -11.385 2.003 -11.096 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -14.542 3.232 -10.226 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -13.647 2.020 -11.148 1.00 1.00 H new ATOM 1406 N TYR A 88 -12.972 5.729 -3.135 1.00 1.00 N ATOM 1407 CA TYR A 88 -13.822 5.250 -2.044 1.00 1.00 C ATOM 1408 C TYR A 88 -13.442 5.918 -0.732 1.00 1.00 C ATOM 1409 O TYR A 88 -13.135 5.252 0.256 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.690 3.729 -1.920 1.00 1.00 C ATOM 1411 CG TYR A 88 -14.287 3.071 -3.151 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.681 2.991 -3.297 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -13.452 2.548 -4.147 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -16.231 2.386 -4.435 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -14.002 1.946 -5.280 1.00 1.00 C ATOM 1416 CZ TYR A 88 -15.392 1.865 -5.425 1.00 1.00 C ATOM 1417 OH TYR A 88 -15.931 1.269 -6.546 1.00 1.00 O ATOM 0 H TYR A 88 -12.003 5.898 -2.867 1.00 1.00 H new ATOM 0 HA TYR A 88 -14.858 5.506 -2.268 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -12.641 3.451 -1.817 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -14.201 3.380 -1.023 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -16.329 3.395 -2.533 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -12.379 2.611 -4.038 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -17.303 2.322 -4.548 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -13.355 1.543 -6.045 1.00 1.00 H new ATOM 0 HH TYR A 88 -15.209 0.962 -7.133 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.458 7.248 -0.710 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.119 8.030 0.485 1.00 1.00 C ATOM 1429 C ILE A 89 -14.208 9.062 0.780 1.00 1.00 C ATOM 1430 O ILE A 89 -14.749 9.693 -0.127 1.00 1.00 O ATOM 1431 CB ILE A 89 -11.765 8.748 0.281 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -11.233 9.245 1.639 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -11.930 9.947 -0.676 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -9.783 9.699 1.490 1.00 1.00 C ATOM 0 H ILE A 89 -13.706 7.818 -1.518 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.043 7.348 1.332 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.057 8.043 -0.155 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -11.847 10.070 2.001 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -11.300 8.449 2.380 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -10.968 10.442 -0.809 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -12.293 9.595 -1.641 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -12.646 10.653 -0.255 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -9.411 10.050 2.453 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.173 8.863 1.148 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -9.728 10.509 0.763 1.00 1.00 H new ATOM 1446 N GLU A 90 -14.529 9.238 2.058 1.00 1.00 N ATOM 1447 CA GLU A 90 -15.545 10.199 2.456 1.00 1.00 C ATOM 1448 C GLU A 90 -15.168 11.608 1.996 1.00 1.00 C ATOM 1449 O GLU A 90 -13.999 11.993 2.017 1.00 1.00 O ATOM 1450 CB GLU A 90 -15.712 10.162 3.980 1.00 1.00 C ATOM 1451 CG GLU A 90 -14.399 10.566 4.664 1.00 1.00 C ATOM 1452 CD GLU A 90 -14.524 10.403 6.176 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -15.128 9.431 6.600 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -14.010 11.251 6.888 1.00 1.00 O ATOM 0 H GLU A 90 -14.101 8.729 2.831 1.00 1.00 H new ATOM 0 HA GLU A 90 -16.490 9.932 1.982 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -16.512 10.838 4.283 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -16.004 9.161 4.298 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -13.581 9.950 4.290 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -14.156 11.600 4.421 1.00 1.00 H new ATOM 1461 N GLY A 91 -16.162 12.385 1.578 1.00 1.00 N ATOM 1462 CA GLY A 91 -15.923 13.747 1.113 1.00 1.00 C ATOM 1463 C GLY A 91 -15.259 13.743 -0.256 1.00 1.00 C ATOM 1464 O GLY A 91 -14.145 14.238 -0.417 1.00 1.00 O ATOM 0 H GLY A 91 -17.140 12.095 1.552 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -16.867 14.290 1.062 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -15.290 14.274 1.827 1.00 1.00 H new ATOM 1468 N LYS A 92 -15.949 13.185 -1.246 1.00 1.00 N ATOM 1469 CA LYS A 92 -15.411 13.126 -2.601 1.00 1.00 C ATOM 1470 C LYS A 92 -15.575 14.478 -3.288 1.00 1.00 C ATOM 1471 O LYS A 92 -16.660 14.833 -3.752 1.00 1.00 O ATOM 1472 CB LYS A 92 -16.136 12.049 -3.416 1.00 1.00 C ATOM 1473 CG LYS A 92 -15.807 10.658 -2.847 1.00 1.00 C ATOM 1474 CD LYS A 92 -16.401 9.560 -3.747 1.00 1.00 C ATOM 1475 CE LYS A 92 -17.920 9.485 -3.566 1.00 1.00 C ATOM 1476 NZ LYS A 92 -18.430 8.254 -4.218 1.00 1.00 N ATOM 0 H LYS A 92 -16.875 12.770 -1.137 1.00 1.00 H new ATOM 0 HA LYS A 92 -14.352 12.876 -2.541 1.00 1.00 H new ATOM 0 HB2 LYS A 92 -17.212 12.220 -3.386 1.00 1.00 H new ATOM 0 HB3 LYS A 92 -15.834 12.106 -4.462 1.00 1.00 H new ATOM 0 HG2 LYS A 92 -14.727 10.533 -2.774 1.00 1.00 H new ATOM 0 HG3 LYS A 92 -16.207 10.566 -1.837 1.00 1.00 H new ATOM 0 HD2 LYS A 92 -16.162 9.767 -4.790 1.00 1.00 H new ATOM 0 HD3 LYS A 92 -15.951 8.598 -3.502 1.00 1.00 H new ATOM 0 HE2 LYS A 92 -18.172 9.480 -2.505 1.00 1.00 H new ATOM 0 HE3 LYS A 92 -18.394 10.365 -4.002 1.00 1.00 H new ATOM 0 HZ1 LYS A 92 -19.462 8.199 -4.097 1.00 1.00 H new ATOM 0 HZ2 LYS A 92 -18.201 8.278 -5.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 92 -17.986 7.421 -3.782 1.00 1.00 H new ATOM 1490 N GLU A 93 -14.484 15.234 -3.349 1.00 1.00 N ATOM 1491 CA GLU A 93 -14.491 16.561 -3.981 1.00 1.00 C ATOM 1492 C GLU A 93 -13.643 16.546 -5.243 1.00 1.00 C ATOM 1493 O GLU A 93 -12.555 17.119 -5.283 1.00 1.00 O ATOM 1494 CB GLU A 93 -13.940 17.605 -3.007 1.00 1.00 C ATOM 1495 CG GLU A 93 -14.851 17.695 -1.776 1.00 1.00 C ATOM 1496 CD GLU A 93 -16.226 18.230 -2.166 1.00 1.00 C ATOM 1497 OE1 GLU A 93 -16.321 18.872 -3.201 1.00 1.00 O ATOM 1498 OE2 GLU A 93 -17.168 17.978 -1.433 1.00 1.00 O ATOM 0 H GLU A 93 -13.579 14.955 -2.970 1.00 1.00 H new ATOM 0 HA GLU A 93 -15.517 16.817 -4.244 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -12.928 17.335 -2.704 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -13.878 18.577 -3.497 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -14.954 16.711 -1.319 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -14.399 18.347 -1.029 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.155 15.895 -6.283 1.00 1.00 N ATOM 1506 CA VAL A 94 -13.441 15.811 -7.547 1.00 1.00 C ATOM 1507 C VAL A 94 -12.039 15.239 -7.334 1.00 1.00 C ATOM 1508 O VAL A 94 -11.232 15.210 -8.263 1.00 1.00 O ATOM 1509 CB VAL A 94 -13.345 17.210 -8.200 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -13.138 17.071 -9.717 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -14.644 17.991 -7.940 1.00 1.00 C ATOM 0 H VAL A 94 -15.058 15.421 -6.273 1.00 1.00 H new ATOM 0 HA VAL A 94 -13.993 15.145 -8.211 1.00 1.00 H new ATOM 0 HB VAL A 94 -12.499 17.744 -7.767 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -13.072 18.061 -10.167 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -12.216 16.522 -9.910 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -13.979 16.531 -10.151 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -14.575 18.976 -8.401 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -15.487 17.449 -8.369 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -14.793 18.102 -6.866 1.00 1.00 H new ATOM 1521 N GLU A 95 -11.753 14.786 -6.118 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.445 14.232 -5.814 1.00 1.00 C ATOM 1523 C GLU A 95 -10.226 12.932 -6.584 1.00 1.00 C ATOM 1524 O GLU A 95 -9.182 12.733 -7.206 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.329 13.975 -4.306 1.00 1.00 C ATOM 1526 CG GLU A 95 -10.300 15.307 -3.544 1.00 1.00 C ATOM 1527 CD GLU A 95 -10.277 15.041 -2.041 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -10.983 14.146 -1.608 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -9.554 15.737 -1.346 1.00 1.00 O ATOM 0 H GLU A 95 -12.406 14.792 -5.334 1.00 1.00 H new ATOM 0 HA GLU A 95 -9.680 14.948 -6.116 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.171 13.371 -3.966 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.423 13.407 -4.095 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -9.422 15.884 -3.834 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -11.174 15.904 -3.804 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.213 12.044 -6.537 1.00 1.00 N ATOM 1537 CA ALA A 96 -11.108 10.767 -7.234 1.00 1.00 C ATOM 1538 C ALA A 96 -10.838 10.981 -8.723 1.00 1.00 C ATOM 1539 O ALA A 96 -10.019 10.277 -9.315 1.00 1.00 O ATOM 1540 CB ALA A 96 -12.405 9.978 -7.067 1.00 1.00 C ATOM 0 H ALA A 96 -12.087 12.182 -6.029 1.00 1.00 H new ATOM 0 HA ALA A 96 -10.277 10.210 -6.802 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -12.321 9.025 -7.590 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -12.586 9.796 -6.008 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -13.234 10.549 -7.484 1.00 1.00 H new ATOM 1546 N GLU A 97 -11.525 11.953 -9.315 1.00 1.00 N ATOM 1547 CA GLU A 97 -11.338 12.234 -10.735 1.00 1.00 C ATOM 1548 C GLU A 97 -9.920 12.743 -11.004 1.00 1.00 C ATOM 1549 O GLU A 97 -9.249 12.281 -11.927 1.00 1.00 O ATOM 1550 CB GLU A 97 -12.347 13.292 -11.202 1.00 1.00 C ATOM 1551 CG GLU A 97 -13.778 12.748 -11.108 1.00 1.00 C ATOM 1552 CD GLU A 97 -13.982 11.618 -12.112 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.681 11.825 -13.276 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -14.439 10.562 -11.701 1.00 1.00 O ATOM 0 H GLU A 97 -12.205 12.550 -8.844 1.00 1.00 H new ATOM 0 HA GLU A 97 -11.496 11.307 -11.286 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -12.252 14.189 -10.590 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -12.129 13.583 -12.230 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -13.971 12.386 -10.098 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -14.492 13.549 -11.301 1.00 1.00 H new ATOM 1561 N ILE A 98 -9.469 13.696 -10.196 1.00 1.00 N ATOM 1562 CA ILE A 98 -8.128 14.255 -10.369 1.00 1.00 C ATOM 1563 C ILE A 98 -7.076 13.153 -10.229 1.00 1.00 C ATOM 1564 O ILE A 98 -6.132 13.089 -11.015 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.881 15.351 -9.307 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -8.772 16.568 -9.608 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -6.405 15.794 -9.310 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -8.780 17.512 -8.398 1.00 1.00 C ATOM 0 H ILE A 98 -10.002 14.095 -9.423 1.00 1.00 H new ATOM 0 HA ILE A 98 -8.051 14.692 -11.365 1.00 1.00 H new ATOM 0 HB ILE A 98 -8.123 14.941 -8.327 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -8.403 17.093 -10.489 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -9.787 16.241 -9.834 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -6.255 16.566 -8.555 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.768 14.938 -9.086 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -6.147 16.192 -10.291 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.412 18.374 -8.613 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.170 16.984 -7.527 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -7.764 17.849 -8.193 1.00 1.00 H new ATOM 1580 N ALA A 99 -7.244 12.290 -9.231 1.00 1.00 N ATOM 1581 CA ALA A 99 -6.290 11.212 -9.018 1.00 1.00 C ATOM 1582 C ALA A 99 -6.307 10.232 -10.182 1.00 1.00 C ATOM 1583 O ALA A 99 -5.254 9.859 -10.700 1.00 1.00 O ATOM 1584 CB ALA A 99 -6.623 10.485 -7.715 1.00 1.00 C ATOM 0 H ALA A 99 -8.019 12.316 -8.568 1.00 1.00 H new ATOM 0 HA ALA A 99 -5.290 11.640 -8.951 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.908 9.678 -7.556 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -6.569 11.187 -6.883 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.630 10.071 -7.776 1.00 1.00 H new ATOM 1590 N GLU A 100 -7.510 9.828 -10.573 1.00 1.00 N ATOM 1591 CA GLU A 100 -7.644 8.888 -11.676 1.00 1.00 C ATOM 1592 C GLU A 100 -7.002 9.448 -12.945 1.00 1.00 C ATOM 1593 O GLU A 100 -6.243 8.754 -13.620 1.00 1.00 O ATOM 1594 CB GLU A 100 -9.132 8.592 -11.935 1.00 1.00 C ATOM 1595 CG GLU A 100 -9.284 7.317 -12.779 1.00 1.00 C ATOM 1596 CD GLU A 100 -8.793 7.572 -14.200 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -8.974 8.680 -14.677 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -8.222 6.664 -14.782 1.00 1.00 O ATOM 0 H GLU A 100 -8.389 10.130 -10.152 1.00 1.00 H new ATOM 0 HA GLU A 100 -7.132 7.965 -11.405 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -9.656 8.473 -10.987 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -9.593 9.435 -12.451 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -8.715 6.503 -12.329 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -10.328 7.005 -12.797 1.00 1.00 H new ATOM 1605 N ALA A 101 -7.315 10.701 -13.259 1.00 1.00 N ATOM 1606 CA ALA A 101 -6.765 11.334 -14.450 1.00 1.00 C ATOM 1607 C ALA A 101 -5.268 11.583 -14.288 1.00 1.00 C ATOM 1608 O ALA A 101 -4.487 11.358 -15.212 1.00 1.00 O ATOM 1609 CB ALA A 101 -7.481 12.660 -14.715 1.00 1.00 C ATOM 0 H ALA A 101 -7.940 11.292 -12.711 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.917 10.663 -15.296 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -7.064 13.127 -15.607 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.545 12.475 -14.866 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.345 13.324 -13.861 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.872 12.047 -13.106 1.00 1.00 N ATOM 1616 CA ARG A 102 -3.465 12.326 -12.830 1.00 1.00 C ATOM 1617 C ARG A 102 -2.646 11.038 -12.879 1.00 1.00 C ATOM 1618 O ARG A 102 -1.535 11.016 -13.409 1.00 1.00 O ATOM 1619 CB ARG A 102 -3.314 12.988 -11.450 1.00 1.00 C ATOM 1620 CG ARG A 102 -1.844 13.359 -11.193 1.00 1.00 C ATOM 1621 CD ARG A 102 -1.720 14.066 -9.838 1.00 1.00 C ATOM 1622 NE ARG A 102 -0.323 14.406 -9.570 1.00 1.00 N ATOM 1623 CZ ARG A 102 0.242 15.476 -10.119 1.00 1.00 C ATOM 1624 NH1 ARG A 102 -0.452 16.241 -10.916 1.00 1.00 N ATOM 1625 NH2 ARG A 102 1.488 15.761 -9.861 1.00 1.00 N ATOM 0 H ARG A 102 -5.502 12.237 -12.327 1.00 1.00 H new ATOM 0 HA ARG A 102 -3.093 13.009 -13.594 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.936 13.882 -11.398 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -3.666 12.309 -10.673 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -1.225 12.462 -11.204 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -1.478 14.009 -11.988 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -2.329 14.970 -9.835 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -2.103 13.421 -9.047 1.00 1.00 H new ATOM 0 HE ARG A 102 0.227 13.811 -8.951 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -1.427 16.017 -11.117 1.00 1.00 H new ATOM 0 HH12 ARG A 102 -0.020 17.063 -11.338 1.00 1.00 H new ATOM 0 HH21 ARG A 102 2.030 15.162 -9.237 1.00 1.00 H new ATOM 0 HH22 ARG A 102 1.921 16.583 -10.283 1.00 1.00 H new ATOM 1639 N ALA A 103 -3.189 9.960 -12.324 1.00 1.00 N ATOM 1640 CA ALA A 103 -2.486 8.683 -12.311 1.00 1.00 C ATOM 1641 C ALA A 103 -2.390 8.093 -13.718 1.00 1.00 C ATOM 1642 O ALA A 103 -1.345 7.579 -14.117 1.00 1.00 O ATOM 1643 CB ALA A 103 -3.217 7.702 -11.392 1.00 1.00 C ATOM 0 H ALA A 103 -4.107 9.944 -11.880 1.00 1.00 H new ATOM 0 HA ALA A 103 -1.475 8.853 -11.941 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -2.689 6.748 -11.384 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -3.250 8.107 -10.380 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -4.233 7.551 -11.756 1.00 1.00 H new ATOM 1649 N LYS A 104 -3.493 8.174 -14.457 1.00 1.00 N ATOM 1650 CA LYS A 104 -3.540 7.646 -15.817 1.00 1.00 C ATOM 1651 C LYS A 104 -2.627 8.446 -16.735 1.00 1.00 C ATOM 1652 O LYS A 104 -1.898 7.878 -17.549 1.00 1.00 O ATOM 1653 CB LYS A 104 -4.984 7.690 -16.324 1.00 1.00 C ATOM 1654 CG LYS A 104 -5.092 6.991 -17.687 1.00 1.00 C ATOM 1655 CD LYS A 104 -6.573 6.814 -18.067 1.00 1.00 C ATOM 1656 CE LYS A 104 -7.268 8.180 -18.117 1.00 1.00 C ATOM 1657 NZ LYS A 104 -6.356 9.173 -18.750 1.00 1.00 N ATOM 0 H LYS A 104 -4.364 8.599 -14.138 1.00 1.00 H new ATOM 0 HA LYS A 104 -3.190 6.614 -15.814 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -5.644 7.204 -15.605 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -5.315 8.725 -16.411 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -4.579 7.578 -18.449 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -4.599 6.020 -17.648 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -6.652 6.321 -19.036 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -7.069 6.171 -17.340 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -8.196 8.108 -18.684 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -7.534 8.503 -17.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -6.918 9.925 -19.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -5.738 9.588 -18.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -5.774 8.700 -19.471 1.00 1.00 H new ATOM 1671 N LEU A 105 -2.676 9.767 -16.598 1.00 1.00 N ATOM 1672 CA LEU A 105 -1.845 10.634 -17.424 1.00 1.00 C ATOM 1673 C LEU A 105 -0.372 10.447 -17.071 1.00 1.00 C ATOM 1674 O LEU A 105 0.123 11.003 -16.090 1.00 1.00 O ATOM 1675 CB LEU A 105 -2.261 12.105 -17.225 1.00 1.00 C ATOM 1676 CG LEU A 105 -1.453 13.031 -18.161 1.00 1.00 C ATOM 1677 CD1 LEU A 105 -1.780 12.713 -19.635 1.00 1.00 C ATOM 1678 CD2 LEU A 105 -1.785 14.501 -17.855 1.00 1.00 C ATOM 0 H LEU A 105 -3.274 10.255 -15.932 1.00 1.00 H new ATOM 0 HA LEU A 105 -1.986 10.366 -18.471 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -3.327 12.217 -17.425 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -2.099 12.397 -16.187 1.00 1.00 H new ATOM 0 HG LEU A 105 -0.389 12.863 -17.993 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -1.205 13.372 -20.286 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -1.522 11.676 -19.849 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -2.844 12.866 -19.813 1.00 1.00 H new ATOM 0 HD21 LEU A 105 -1.212 15.149 -18.518 1.00 1.00 H new ATOM 0 HD22 LEU A 105 -2.850 14.673 -18.010 1.00 1.00 H new ATOM 0 HD23 LEU A 105 -1.528 14.724 -16.819 1.00 1.00 H new ATOM 1690 N GLU A 106 0.330 9.657 -17.876 1.00 1.00 N ATOM 1691 CA GLU A 106 1.745 9.397 -17.652 1.00 1.00 C ATOM 1692 C GLU A 106 2.584 10.628 -17.983 1.00 1.00 C ATOM 1693 O GLU A 106 3.548 10.941 -17.284 1.00 1.00 O ATOM 1694 CB GLU A 106 2.203 8.214 -18.516 1.00 1.00 C ATOM 1695 CG GLU A 106 3.604 7.761 -18.080 1.00 1.00 C ATOM 1696 CD GLU A 106 3.530 7.056 -16.727 1.00 1.00 C ATOM 1697 OE1 GLU A 106 2.427 6.848 -16.242 1.00 1.00 O ATOM 1698 OE2 GLU A 106 4.578 6.737 -16.193 1.00 1.00 O ATOM 0 H GLU A 106 -0.060 9.185 -18.692 1.00 1.00 H new ATOM 0 HA GLU A 106 1.885 9.155 -16.598 1.00 1.00 H new ATOM 0 HB2 GLU A 106 1.498 7.388 -18.421 1.00 1.00 H new ATOM 0 HB3 GLU A 106 2.215 8.503 -19.567 1.00 1.00 H new ATOM 0 HG2 GLU A 106 4.026 7.088 -18.827 1.00 1.00 H new ATOM 0 HG3 GLU A 106 4.269 8.622 -18.014 1.00 1.00 H new ATOM 1705 N HIS A 107 2.222 11.327 -19.054 1.00 1.00 N ATOM 1706 CA HIS A 107 2.947 12.519 -19.474 1.00 1.00 C ATOM 1707 C HIS A 107 2.117 13.303 -20.482 1.00 1.00 C ATOM 1708 O HIS A 107 1.141 12.796 -21.035 1.00 1.00 O ATOM 1709 CB HIS A 107 4.294 12.126 -20.094 1.00 1.00 C ATOM 1710 CG HIS A 107 5.074 13.363 -20.459 1.00 1.00 C ATOM 1711 ND1 HIS A 107 5.019 13.920 -21.727 1.00 1.00 N ATOM 1712 CD2 HIS A 107 5.940 14.153 -19.741 1.00 1.00 C ATOM 1713 CE1 HIS A 107 5.828 14.995 -21.733 1.00 1.00 C ATOM 1714 NE2 HIS A 107 6.414 15.183 -20.550 1.00 1.00 N ATOM 0 H HIS A 107 1.428 11.087 -19.648 1.00 1.00 H new ATOM 0 HA HIS A 107 3.131 13.146 -18.602 1.00 1.00 H new ATOM 0 HB2 HIS A 107 4.865 11.521 -19.390 1.00 1.00 H new ATOM 0 HB3 HIS A 107 4.131 11.514 -20.981 1.00 1.00 H new ATOM 0 HD2 HIS A 107 6.211 13.999 -18.707 1.00 1.00 H new ATOM 0 HE1 HIS A 107 5.984 15.630 -22.593 1.00 1.00 H new ATOM 0 HE2 HIS A 107 7.068 15.922 -20.293 1.00 1.00 H new ATOM 1723 N HIS A 108 2.501 14.553 -20.718 1.00 1.00 N ATOM 1724 CA HIS A 108 1.782 15.410 -21.664 1.00 1.00 C ATOM 1725 C HIS A 108 2.738 16.424 -22.281 1.00 1.00 C ATOM 1726 O HIS A 108 3.363 17.212 -21.571 1.00 1.00 O ATOM 1727 CB HIS A 108 0.645 16.141 -20.943 1.00 1.00 C ATOM 1728 CG HIS A 108 1.199 16.895 -19.766 1.00 1.00 C ATOM 1729 ND1 HIS A 108 1.402 16.294 -18.533 1.00 1.00 N ATOM 1730 CD2 HIS A 108 1.597 18.200 -19.616 1.00 1.00 C ATOM 1731 CE1 HIS A 108 1.902 17.228 -17.703 1.00 1.00 C ATOM 1732 NE2 HIS A 108 2.040 18.409 -18.313 1.00 1.00 N ATOM 0 H HIS A 108 3.303 14.997 -20.271 1.00 1.00 H new ATOM 0 HA HIS A 108 1.364 14.789 -22.456 1.00 1.00 H new ATOM 0 HB2 HIS A 108 0.149 16.829 -21.628 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -0.107 15.426 -20.609 1.00 1.00 H new ATOM 0 HD2 HIS A 108 1.570 18.951 -20.392 1.00 1.00 H new ATOM 0 HE1 HIS A 108 2.160 17.045 -16.670 1.00 1.00 H new ATOM 0 HE2 HIS A 108 2.394 19.277 -17.910 1.00 1.00 H new ATOM 1741 N HIS A 109 2.852 16.403 -23.605 1.00 1.00 N ATOM 1742 CA HIS A 109 3.739 17.324 -24.307 1.00 1.00 C ATOM 1743 C HIS A 109 3.228 18.753 -24.191 1.00 1.00 C ATOM 1744 O HIS A 109 4.006 19.689 -24.001 1.00 1.00 O ATOM 1745 CB HIS A 109 3.844 16.931 -25.783 1.00 1.00 C ATOM 1746 CG HIS A 109 4.545 15.604 -25.901 1.00 1.00 C ATOM 1747 ND1 HIS A 109 3.859 14.400 -25.859 1.00 1.00 N ATOM 1748 CD2 HIS A 109 5.869 15.276 -26.053 1.00 1.00 C ATOM 1749 CE1 HIS A 109 4.765 13.413 -25.985 1.00 1.00 C ATOM 1750 NE2 HIS A 109 6.006 13.893 -26.106 1.00 1.00 N ATOM 0 H HIS A 109 2.343 15.760 -24.212 1.00 1.00 H new ATOM 0 HA HIS A 109 4.726 17.267 -23.848 1.00 1.00 H new ATOM 0 HB2 HIS A 109 2.850 16.870 -26.226 1.00 1.00 H new ATOM 0 HB3 HIS A 109 4.392 17.694 -26.335 1.00 1.00 H new ATOM 0 HD2 HIS A 109 6.681 15.984 -26.121 1.00 1.00 H new ATOM 0 HE1 HIS A 109 4.519 12.361 -25.988 1.00 1.00 H new ATOM 0 HE2 HIS A 109 6.869 13.360 -26.214 1.00 1.00 H new ATOM 1759 N HIS A 110 1.915 18.919 -24.309 1.00 1.00 N ATOM 1760 CA HIS A 110 1.309 20.247 -24.218 1.00 1.00 C ATOM 1761 C HIS A 110 -0.161 20.138 -23.830 1.00 1.00 C ATOM 1762 O HIS A 110 -1.022 20.772 -24.440 1.00 1.00 O ATOM 1763 CB HIS A 110 1.435 20.968 -25.563 1.00 1.00 C ATOM 1764 CG HIS A 110 0.943 22.382 -25.423 1.00 1.00 C ATOM 1765 ND1 HIS A 110 1.707 23.375 -24.827 1.00 1.00 N ATOM 1766 CD2 HIS A 110 -0.231 22.986 -25.794 1.00 1.00 C ATOM 1767 CE1 HIS A 110 0.989 24.513 -24.858 1.00 1.00 C ATOM 1768 NE2 HIS A 110 -0.202 24.330 -25.437 1.00 1.00 N ATOM 0 H HIS A 110 1.253 18.159 -24.467 1.00 1.00 H new ATOM 0 HA HIS A 110 1.833 20.816 -23.450 1.00 1.00 H new ATOM 0 HB2 HIS A 110 2.474 20.964 -25.894 1.00 1.00 H new ATOM 0 HB3 HIS A 110 0.856 20.444 -26.324 1.00 1.00 H new ATOM 0 HD2 HIS A 110 -1.054 22.492 -26.289 1.00 1.00 H new ATOM 0 HE1 HIS A 110 1.333 25.458 -24.464 1.00 1.00 H new ATOM 0 HE2 HIS A 110 -0.932 25.026 -25.585 1.00 1.00 H new ATOM 1777 N HIS A 111 -0.439 19.329 -22.813 1.00 1.00 N ATOM 1778 CA HIS A 111 -1.810 19.137 -22.345 1.00 1.00 C ATOM 1779 C HIS A 111 -2.738 18.809 -23.512 1.00 1.00 C ATOM 1780 O HIS A 111 -2.302 18.708 -24.658 1.00 1.00 O ATOM 1781 CB HIS A 111 -2.305 20.403 -21.638 1.00 1.00 C ATOM 1782 CG HIS A 111 -1.523 20.612 -20.370 1.00 1.00 C ATOM 1783 ND1 HIS A 111 -0.326 21.312 -20.345 1.00 1.00 N ATOM 1784 CD2 HIS A 111 -1.753 20.218 -19.074 1.00 1.00 C ATOM 1785 CE1 HIS A 111 0.114 21.318 -19.073 1.00 1.00 C ATOM 1786 NE2 HIS A 111 -0.719 20.665 -18.258 1.00 1.00 N ATOM 0 H HIS A 111 0.262 18.797 -22.298 1.00 1.00 H new ATOM 0 HA HIS A 111 -1.818 18.302 -21.644 1.00 1.00 H new ATOM 0 HB2 HIS A 111 -2.191 21.266 -22.294 1.00 1.00 H new ATOM 0 HB3 HIS A 111 -3.367 20.313 -21.411 1.00 1.00 H new ATOM 0 HD2 HIS A 111 -2.607 19.648 -18.740 1.00 1.00 H new ATOM 0 HE1 HIS A 111 1.029 21.793 -18.751 1.00 1.00 H new ATOM 0 HE2 HIS A 111 -0.618 20.524 -17.253 1.00 1.00 H new ATOM 1795 N HIS A 112 -4.022 18.642 -23.207 1.00 1.00 N ATOM 1796 CA HIS A 112 -5.001 18.324 -24.239 1.00 1.00 C ATOM 1797 C HIS A 112 -6.417 18.427 -23.682 1.00 1.00 C ATOM 1798 O HIS A 112 -6.959 17.402 -23.303 1.00 1.00 O ATOM 1799 CB HIS A 112 -4.758 16.909 -24.769 1.00 1.00 C ATOM 1800 CG HIS A 112 -5.714 16.624 -25.893 1.00 1.00 C ATOM 1801 ND1 HIS A 112 -6.921 15.974 -25.690 1.00 1.00 N ATOM 1802 CD2 HIS A 112 -5.654 16.892 -27.239 1.00 1.00 C ATOM 1803 CE1 HIS A 112 -7.535 15.875 -26.884 1.00 1.00 C ATOM 1804 NE2 HIS A 112 -6.806 16.419 -27.862 1.00 1.00 N ATOM 1805 OXT HIS A 112 -6.935 19.530 -23.639 1.00 1.00 O ATOM 0 H HIS A 112 -4.405 18.721 -22.265 1.00 1.00 H new ATOM 0 HA HIS A 112 -4.891 19.040 -25.054 1.00 1.00 H new ATOM 0 HB2 HIS A 112 -3.730 16.811 -25.118 1.00 1.00 H new ATOM 0 HB3 HIS A 112 -4.893 16.181 -23.969 1.00 1.00 H new ATOM 0 HD1 HIS A 112 -7.279 15.633 -24.798 1.00 1.00 H new ATOM 0 HD2 HIS A 112 -4.838 17.393 -27.738 1.00 1.00 H new ATOM 0 HE1 HIS A 112 -8.499 15.412 -27.033 1.00 1.00 H new TER 1814 HIS A 112