USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 972 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 33 GLN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0227) USER MOD Single : A 2 ASN : amide:sc= -1.53! K(o=-1.5!,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.946 K(o=-0.95,f=-0.38) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.61 K(o=-2.6,f=-7!) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.378 USER MOD Single : A 17 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.023) USER MOD Single : A 25 MET CE :methyl 179:sc= -1.46 (180deg=-1.48) USER MOD Single : A 32 CYS SG : rot -176:sc= -1.33! USER MOD Single : A 34 TYR OH : rot -104:sc= 0.144 USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.0145 USER MOD Single : A 45 ASN : amide:sc= -1.75 K(o=-1.8,f=-7.2!) USER MOD Single : A 53 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 74 ASN : amide:sc= 0.0609 K(o=0.061,f=-2.6!) USER MOD Single : A 79 HIS : no HE2:sc= -2.85! X(o=-2.8!,f=-2.6) USER MOD Single : A 81 THR OG1 : rot -58:sc= 0.117 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0177 USER MOD Single : A 85 ASN : amide:sc= -0.633 K(o=-0.63,f=-0.0016) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -0.439 (180deg=-1.38) USER MOD Single : A 97 CYS SG : rot 180:sc=-0.00666 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -2.64! K(o=-2.6!,f=-1.2) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -27:sc= 0.0403 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 122 LYS NZ :NH3+ -154:sc= -1.08 (180deg=-2.16!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.964 0.132 -1.373 1.00 0.00 N ATOM 2 CA MET A 1 3.111 -0.676 -2.273 1.00 0.00 C ATOM 3 C MET A 1 3.371 -2.167 -2.009 1.00 0.00 C ATOM 4 O MET A 1 4.385 -2.714 -2.450 1.00 0.00 O ATOM 5 CB MET A 1 3.382 -0.311 -3.765 1.00 0.00 C ATOM 6 CG MET A 1 3.021 1.134 -4.142 1.00 0.00 C ATOM 7 SD MET A 1 1.260 1.487 -3.908 1.00 0.00 S ATOM 8 CE MET A 1 1.142 3.196 -4.444 1.00 0.00 C ATOM 0 H1 MET A 1 3.732 1.139 -1.487 1.00 0.00 H new ATOM 0 H2 MET A 1 3.796 -0.153 -0.387 1.00 0.00 H new ATOM 0 H3 MET A 1 4.964 -0.022 -1.612 1.00 0.00 H new ATOM 0 HA MET A 1 2.062 -0.459 -2.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.438 -0.477 -3.981 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.816 -0.992 -4.401 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.611 1.823 -3.537 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.290 1.313 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.111 3.536 -4.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.787 3.818 -3.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.457 3.273 -5.485 1.00 0.00 H new ATOM 20 N ASN A 2 2.460 -2.805 -1.252 1.00 0.00 N ATOM 21 CA ASN A 2 2.575 -4.227 -0.868 1.00 0.00 C ATOM 22 C ASN A 2 1.193 -4.842 -0.561 1.00 0.00 C ATOM 23 O ASN A 2 1.105 -6.041 -0.278 1.00 0.00 O ATOM 24 CB ASN A 2 3.530 -4.390 0.350 1.00 0.00 C ATOM 25 CG ASN A 2 3.018 -3.716 1.628 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.302 -2.548 1.887 1.00 0.00 O ATOM 27 ND2 ASN A 2 2.258 -4.445 2.436 1.00 0.00 N ATOM 0 H ASN A 2 1.622 -2.351 -0.888 1.00 0.00 H new ATOM 0 HA ASN A 2 2.997 -4.767 -1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.679 -5.452 0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.504 -3.973 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.893 -4.039 3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.039 -5.412 2.195 1.00 0.00 H new ATOM 34 N SER A 3 0.120 -4.025 -0.632 1.00 0.00 N ATOM 35 CA SER A 3 -1.264 -4.501 -0.420 1.00 0.00 C ATOM 36 C SER A 3 -1.640 -5.511 -1.513 1.00 0.00 C ATOM 37 O SER A 3 -2.278 -6.522 -1.236 1.00 0.00 O ATOM 38 CB SER A 3 -2.248 -3.311 -0.406 1.00 0.00 C ATOM 39 OG SER A 3 -2.209 -2.582 -1.622 1.00 0.00 O ATOM 0 H SER A 3 0.187 -3.028 -0.836 1.00 0.00 H new ATOM 0 HA SER A 3 -1.325 -4.998 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.260 -3.678 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.004 -2.647 0.424 1.00 0.00 H new ATOM 0 HG SER A 3 -2.845 -1.838 -1.578 1.00 0.00 H new ATOM 45 N GLU A 4 -1.161 -5.225 -2.741 1.00 0.00 N ATOM 46 CA GLU A 4 -1.295 -6.106 -3.926 1.00 0.00 C ATOM 47 C GLU A 4 -0.724 -7.528 -3.683 1.00 0.00 C ATOM 48 O GLU A 4 -1.152 -8.494 -4.313 1.00 0.00 O ATOM 49 CB GLU A 4 -0.557 -5.462 -5.128 1.00 0.00 C ATOM 50 CG GLU A 4 0.934 -5.167 -4.857 1.00 0.00 C ATOM 51 CD GLU A 4 1.730 -4.773 -6.106 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.000 -5.659 -6.947 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.096 -3.590 -6.252 1.00 0.00 O ATOM 0 H GLU A 4 -0.660 -4.360 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.360 -6.212 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.636 -6.126 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.059 -4.532 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.007 -4.364 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.393 -6.049 -4.410 1.00 0.00 H new ATOM 60 N ILE A 5 0.273 -7.614 -2.786 1.00 0.00 N ATOM 61 CA ILE A 5 0.987 -8.859 -2.448 1.00 0.00 C ATOM 62 C ILE A 5 0.271 -9.573 -1.282 1.00 0.00 C ATOM 63 O ILE A 5 0.328 -10.802 -1.153 1.00 0.00 O ATOM 64 CB ILE A 5 2.474 -8.527 -2.058 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.152 -7.608 -3.127 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.305 -9.801 -1.812 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.215 -8.182 -4.537 1.00 0.00 C ATOM 0 H ILE A 5 0.612 -6.805 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 5 0.990 -9.522 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 5 2.441 -7.978 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.613 -6.661 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.167 -7.385 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.325 -9.524 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.860 -10.374 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.318 -10.407 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.703 -7.467 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.783 -9.112 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.204 -8.378 -4.896 1.00 0.00 H new ATOM 79 N GLU A 6 -0.409 -8.774 -0.441 1.00 0.00 N ATOM 80 CA GLU A 6 -1.265 -9.284 0.642 1.00 0.00 C ATOM 81 C GLU A 6 -2.570 -9.874 0.085 1.00 0.00 C ATOM 82 O GLU A 6 -3.163 -10.720 0.730 1.00 0.00 O ATOM 83 CB GLU A 6 -1.593 -8.160 1.660 1.00 0.00 C ATOM 84 CG GLU A 6 -0.371 -7.601 2.405 1.00 0.00 C ATOM 85 CD GLU A 6 -0.719 -6.444 3.350 1.00 0.00 C ATOM 86 OE1 GLU A 6 -1.243 -6.700 4.454 1.00 0.00 O ATOM 87 OE2 GLU A 6 -0.478 -5.273 2.993 1.00 0.00 O ATOM 0 H GLU A 6 -0.380 -7.756 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.714 -10.075 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.087 -7.343 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.304 -8.545 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.095 -8.402 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.365 -7.259 1.678 1.00 0.00 H new ATOM 94 N LEU A 7 -2.995 -9.437 -1.118 1.00 0.00 N ATOM 95 CA LEU A 7 -4.289 -9.864 -1.707 1.00 0.00 C ATOM 96 C LEU A 7 -4.316 -11.397 -1.991 1.00 0.00 C ATOM 97 O LEU A 7 -5.273 -12.051 -1.567 1.00 0.00 O ATOM 98 CB LEU A 7 -4.654 -9.070 -2.996 1.00 0.00 C ATOM 99 CG LEU A 7 -4.752 -7.526 -2.868 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.148 -6.872 -4.209 1.00 0.00 C ATOM 101 CD2 LEU A 7 -5.700 -7.103 -1.722 1.00 0.00 C ATOM 0 H LEU A 7 -2.465 -8.790 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.047 -9.637 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.909 -9.300 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.611 -9.441 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.759 -7.160 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.207 -5.791 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.399 -7.109 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.118 -7.254 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.741 -6.015 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.699 -7.494 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.329 -7.501 -0.777 1.00 0.00 H new ATOM 113 N PRO A 8 -3.284 -12.008 -2.701 1.00 0.00 N ATOM 114 CA PRO A 8 -3.203 -13.473 -2.851 1.00 0.00 C ATOM 115 C PRO A 8 -3.198 -14.188 -1.498 1.00 0.00 C ATOM 116 O PRO A 8 -4.144 -14.907 -1.179 1.00 0.00 O ATOM 117 CB PRO A 8 -1.890 -13.720 -3.667 1.00 0.00 C ATOM 118 CG PRO A 8 -1.139 -12.430 -3.605 1.00 0.00 C ATOM 119 CD PRO A 8 -2.176 -11.347 -3.446 1.00 0.00 C ATOM 0 HA PRO A 8 -4.074 -13.880 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.308 -14.535 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.113 -13.996 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.440 -12.426 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.552 -12.277 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.780 -10.494 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.513 -10.974 -4.413 1.00 0.00 H new ATOM 127 N VAL A 9 -2.182 -13.874 -0.687 1.00 0.00 N ATOM 128 CA VAL A 9 -1.929 -14.507 0.610 1.00 0.00 C ATOM 129 C VAL A 9 -3.176 -14.530 1.538 1.00 0.00 C ATOM 130 O VAL A 9 -3.534 -15.581 2.066 1.00 0.00 O ATOM 131 CB VAL A 9 -0.732 -13.768 1.302 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.559 -14.226 2.755 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.577 -13.948 0.483 1.00 0.00 C ATOM 0 H VAL A 9 -1.497 -13.155 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.680 -15.553 0.430 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.962 -12.703 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.279 -13.695 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.469 -14.011 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.364 -15.298 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.393 -13.427 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.816 -15.009 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.441 -13.535 -0.516 1.00 0.00 H new ATOM 143 N GLN A 10 -3.830 -13.371 1.678 1.00 0.00 N ATOM 144 CA GLN A 10 -4.999 -13.175 2.575 1.00 0.00 C ATOM 145 C GLN A 10 -6.182 -14.054 2.136 1.00 0.00 C ATOM 146 O GLN A 10 -6.734 -14.807 2.941 1.00 0.00 O ATOM 147 CB GLN A 10 -5.386 -11.660 2.607 1.00 0.00 C ATOM 148 CG GLN A 10 -6.611 -11.248 3.481 1.00 0.00 C ATOM 149 CD GLN A 10 -7.957 -11.267 2.739 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.350 -10.280 2.114 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.677 -12.375 2.812 1.00 0.00 N ATOM 0 H GLN A 10 -3.567 -12.526 1.170 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.731 -13.484 3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.519 -11.099 2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.581 -11.341 1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.673 -11.919 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.441 -10.246 3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.327 -13.177 3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.582 -12.427 2.344 1.00 0.00 H new ATOM 160 N LYS A 11 -6.550 -13.958 0.844 1.00 0.00 N ATOM 161 CA LYS A 11 -7.698 -14.701 0.274 1.00 0.00 C ATOM 162 C LYS A 11 -7.466 -16.220 0.336 1.00 0.00 C ATOM 163 O LYS A 11 -8.389 -16.995 0.600 1.00 0.00 O ATOM 164 CB LYS A 11 -7.944 -14.260 -1.180 1.00 0.00 C ATOM 165 CG LYS A 11 -8.308 -12.767 -1.344 1.00 0.00 C ATOM 166 CD LYS A 11 -9.676 -12.402 -0.729 1.00 0.00 C ATOM 167 CE LYS A 11 -10.028 -10.917 -0.922 1.00 0.00 C ATOM 168 NZ LYS A 11 -11.428 -10.626 -0.538 1.00 0.00 N ATOM 0 H LYS A 11 -6.066 -13.368 0.167 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.580 -14.471 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.049 -14.469 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.748 -14.865 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.534 -12.158 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.316 -12.516 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.452 -13.018 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.666 -12.635 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.353 -10.304 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.873 -10.640 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.625 -9.615 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.074 -11.192 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.570 -10.866 0.464 1.00 0.00 H new ATOM 182 N GLN A 12 -6.210 -16.616 0.113 1.00 0.00 N ATOM 183 CA GLN A 12 -5.774 -18.015 0.189 1.00 0.00 C ATOM 184 C GLN A 12 -5.825 -18.532 1.632 1.00 0.00 C ATOM 185 O GLN A 12 -6.196 -19.676 1.866 1.00 0.00 O ATOM 186 CB GLN A 12 -4.342 -18.148 -0.355 1.00 0.00 C ATOM 187 CG GLN A 12 -4.204 -17.902 -1.867 1.00 0.00 C ATOM 188 CD GLN A 12 -2.759 -17.871 -2.334 1.00 0.00 C ATOM 189 OE1 GLN A 12 -2.423 -17.165 -3.283 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.893 -18.669 -1.702 1.00 0.00 N ATOM 0 H GLN A 12 -5.459 -15.969 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.454 -18.614 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.700 -17.444 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.973 -19.148 -0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.738 -18.684 -2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.682 -16.956 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.206 -19.242 -0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.919 -18.705 -2.004 1.00 0.00 H new ATOM 199 N LEU A 13 -5.458 -17.661 2.581 1.00 0.00 N ATOM 200 CA LEU A 13 -5.364 -18.006 4.008 1.00 0.00 C ATOM 201 C LEU A 13 -6.733 -18.416 4.562 1.00 0.00 C ATOM 202 O LEU A 13 -6.869 -19.480 5.184 1.00 0.00 O ATOM 203 CB LEU A 13 -4.815 -16.802 4.802 1.00 0.00 C ATOM 204 CG LEU A 13 -4.613 -17.042 6.324 1.00 0.00 C ATOM 205 CD1 LEU A 13 -3.501 -18.080 6.587 1.00 0.00 C ATOM 206 CD2 LEU A 13 -4.383 -15.707 7.052 1.00 0.00 C ATOM 0 H LEU A 13 -5.216 -16.691 2.380 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.684 -18.851 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.859 -16.508 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.497 -15.961 4.672 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.525 -17.473 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.385 -18.225 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.770 -19.028 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.562 -17.722 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.243 -15.893 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.495 -15.221 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.248 -15.060 6.907 1.00 0.00 H new ATOM 218 N GLU A 14 -7.738 -17.551 4.304 1.00 0.00 N ATOM 219 CA GLU A 14 -9.152 -17.806 4.668 1.00 0.00 C ATOM 220 C GLU A 14 -9.604 -19.139 4.060 1.00 0.00 C ATOM 221 O GLU A 14 -10.146 -20.006 4.747 1.00 0.00 O ATOM 222 CB GLU A 14 -10.099 -16.664 4.172 1.00 0.00 C ATOM 223 CG GLU A 14 -9.567 -15.225 4.335 1.00 0.00 C ATOM 224 CD GLU A 14 -9.090 -14.875 5.755 1.00 0.00 C ATOM 225 OE1 GLU A 14 -9.926 -14.479 6.589 1.00 0.00 O ATOM 226 OE2 GLU A 14 -7.874 -14.979 6.036 1.00 0.00 O ATOM 0 H GLU A 14 -7.593 -16.656 3.837 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.213 -17.843 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.317 -16.832 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.044 -16.744 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.739 -15.077 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.353 -14.526 4.047 1.00 0.00 H new ATOM 233 N ALA A 15 -9.281 -19.292 2.768 1.00 0.00 N ATOM 234 CA ALA A 15 -9.651 -20.455 1.952 1.00 0.00 C ATOM 235 C ALA A 15 -8.955 -21.754 2.429 1.00 0.00 C ATOM 236 O ALA A 15 -9.505 -22.839 2.292 1.00 0.00 O ATOM 237 CB ALA A 15 -9.315 -20.167 0.481 1.00 0.00 C ATOM 0 H ALA A 15 -8.744 -18.596 2.251 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.723 -20.619 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.588 -21.028 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.872 -19.292 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.246 -19.976 0.382 1.00 0.00 H new ATOM 243 N TYR A 16 -7.759 -21.617 3.026 1.00 0.00 N ATOM 244 CA TYR A 16 -6.923 -22.769 3.442 1.00 0.00 C ATOM 245 C TYR A 16 -7.599 -23.538 4.594 1.00 0.00 C ATOM 246 O TYR A 16 -7.737 -24.767 4.544 1.00 0.00 O ATOM 247 CB TYR A 16 -5.502 -22.292 3.859 1.00 0.00 C ATOM 248 CG TYR A 16 -4.530 -23.423 4.264 1.00 0.00 C ATOM 249 CD1 TYR A 16 -4.192 -24.435 3.363 1.00 0.00 C ATOM 250 CD2 TYR A 16 -3.962 -23.487 5.542 1.00 0.00 C ATOM 251 CE1 TYR A 16 -3.331 -25.459 3.713 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.098 -24.514 5.894 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.787 -25.496 4.977 1.00 0.00 C ATOM 254 OH TYR A 16 -1.928 -26.519 5.325 1.00 0.00 O ATOM 0 H TYR A 16 -7.341 -20.711 3.236 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.820 -23.444 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.064 -21.735 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.598 -21.598 4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.613 -24.418 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.201 -22.723 6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.086 -26.228 2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.670 -24.544 6.885 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.632 -26.397 6.251 1.00 0.00 H new ATOM 264 N ASN A 17 -8.046 -22.783 5.612 1.00 0.00 N ATOM 265 CA ASN A 17 -8.736 -23.346 6.795 1.00 0.00 C ATOM 266 C ASN A 17 -10.244 -23.555 6.518 1.00 0.00 C ATOM 267 O ASN A 17 -10.927 -24.240 7.283 1.00 0.00 O ATOM 268 CB ASN A 17 -8.525 -22.436 8.037 1.00 0.00 C ATOM 269 CG ASN A 17 -9.181 -21.059 7.907 1.00 0.00 C ATOM 270 OD1 ASN A 17 -10.343 -20.872 8.262 1.00 0.00 O ATOM 271 ND2 ASN A 17 -8.443 -20.087 7.400 1.00 0.00 N ATOM 0 H ASN A 17 -7.942 -21.769 5.642 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.298 -24.322 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.926 -22.938 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.456 -22.305 8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.835 -19.151 7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.482 -20.273 7.114 1.00 0.00 H new ATOM 278 N ALA A 18 -10.756 -22.941 5.429 1.00 0.00 N ATOM 279 CA ALA A 18 -12.167 -23.098 4.988 1.00 0.00 C ATOM 280 C ALA A 18 -12.347 -24.306 4.050 1.00 0.00 C ATOM 281 O ALA A 18 -13.463 -24.553 3.576 1.00 0.00 O ATOM 282 CB ALA A 18 -12.661 -21.817 4.290 1.00 0.00 C ATOM 0 H ALA A 18 -10.208 -22.324 4.830 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.764 -23.277 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.696 -21.951 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.599 -20.978 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.039 -21.615 3.418 1.00 0.00 H new ATOM 288 N ARG A 19 -11.235 -25.034 3.776 1.00 0.00 N ATOM 289 CA ARG A 19 -11.206 -26.221 2.882 1.00 0.00 C ATOM 290 C ARG A 19 -11.591 -25.856 1.426 1.00 0.00 C ATOM 291 O ARG A 19 -12.036 -26.705 0.647 1.00 0.00 O ATOM 292 CB ARG A 19 -12.097 -27.370 3.437 1.00 0.00 C ATOM 293 CG ARG A 19 -11.723 -27.864 4.850 1.00 0.00 C ATOM 294 CD ARG A 19 -10.283 -28.397 4.946 1.00 0.00 C ATOM 295 NE ARG A 19 -9.999 -28.941 6.287 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.784 -30.236 6.565 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.826 -31.164 5.611 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.541 -30.604 7.804 1.00 0.00 N ATOM 0 H ARG A 19 -10.323 -24.811 4.174 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.178 -26.583 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.133 -27.032 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.046 -28.214 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.848 -27.045 5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.415 -28.652 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.130 -29.174 4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.581 -27.594 4.721 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.963 -28.281 7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.025 -30.896 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.660 -32.143 5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.517 -29.906 8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.377 -31.587 8.021 1.00 0.00 H new ATOM 312 N ASP A 20 -11.355 -24.592 1.076 1.00 0.00 N ATOM 313 CA ASP A 20 -11.645 -24.021 -0.243 1.00 0.00 C ATOM 314 C ASP A 20 -10.369 -24.049 -1.101 1.00 0.00 C ATOM 315 O ASP A 20 -9.420 -23.332 -0.800 1.00 0.00 O ATOM 316 CB ASP A 20 -12.124 -22.552 -0.075 1.00 0.00 C ATOM 317 CG ASP A 20 -12.789 -21.991 -1.337 1.00 0.00 C ATOM 318 OD1 ASP A 20 -13.996 -22.240 -1.547 1.00 0.00 O ATOM 319 OD2 ASP A 20 -12.119 -21.299 -2.113 1.00 0.00 O ATOM 0 H ASP A 20 -10.945 -23.916 1.720 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.426 -24.604 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.829 -22.498 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.272 -21.926 0.189 1.00 0.00 H new ATOM 324 N ILE A 21 -10.342 -24.893 -2.135 1.00 0.00 N ATOM 325 CA ILE A 21 -9.238 -24.930 -3.119 1.00 0.00 C ATOM 326 C ILE A 21 -9.345 -23.761 -4.111 1.00 0.00 C ATOM 327 O ILE A 21 -8.325 -23.216 -4.537 1.00 0.00 O ATOM 328 CB ILE A 21 -9.222 -26.318 -3.889 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.751 -27.453 -2.937 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.346 -26.287 -5.173 1.00 0.00 C ATOM 331 CD1 ILE A 21 -7.321 -27.285 -2.459 1.00 0.00 C ATOM 0 H ILE A 21 -11.080 -25.572 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.298 -24.826 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.244 -26.514 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.413 -27.490 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.844 -28.410 -3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.374 -27.264 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.731 -25.532 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.318 -26.044 -4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.059 -28.112 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.649 -27.278 -3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.227 -26.344 -1.917 1.00 0.00 H new ATOM 343 N ASP A 22 -10.588 -23.360 -4.418 1.00 0.00 N ATOM 344 CA ASP A 22 -10.891 -22.438 -5.531 1.00 0.00 C ATOM 345 C ASP A 22 -10.157 -21.088 -5.385 1.00 0.00 C ATOM 346 O ASP A 22 -9.498 -20.642 -6.317 1.00 0.00 O ATOM 347 CB ASP A 22 -12.420 -22.221 -5.601 1.00 0.00 C ATOM 348 CG ASP A 22 -12.867 -21.400 -6.823 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.975 -21.972 -7.929 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.105 -20.179 -6.688 1.00 0.00 O ATOM 0 H ASP A 22 -11.414 -23.664 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.535 -22.889 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.916 -23.191 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.749 -21.716 -4.693 1.00 0.00 H new ATOM 355 N ALA A 23 -10.247 -20.481 -4.194 1.00 0.00 N ATOM 356 CA ALA A 23 -9.551 -19.220 -3.848 1.00 0.00 C ATOM 357 C ALA A 23 -8.122 -19.484 -3.373 1.00 0.00 C ATOM 358 O ALA A 23 -7.220 -18.684 -3.658 1.00 0.00 O ATOM 359 CB ALA A 23 -10.341 -18.431 -2.795 1.00 0.00 C ATOM 0 H ALA A 23 -10.811 -20.851 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.492 -18.615 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.810 -17.509 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.329 -18.190 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.446 -19.033 -1.892 1.00 0.00 H new ATOM 365 N PHE A 24 -7.916 -20.610 -2.646 1.00 0.00 N ATOM 366 CA PHE A 24 -6.557 -21.006 -2.198 1.00 0.00 C ATOM 367 C PHE A 24 -5.616 -21.300 -3.391 1.00 0.00 C ATOM 368 O PHE A 24 -4.414 -21.389 -3.206 1.00 0.00 O ATOM 369 CB PHE A 24 -6.602 -22.214 -1.217 1.00 0.00 C ATOM 370 CG PHE A 24 -5.236 -22.612 -0.635 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.528 -21.732 0.179 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.641 -23.834 -0.943 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.282 -22.055 0.672 1.00 0.00 C ATOM 374 CE2 PHE A 24 -3.397 -24.157 -0.440 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.714 -23.268 0.358 1.00 0.00 C ATOM 0 H PHE A 24 -8.658 -21.249 -2.362 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.147 -20.153 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.277 -21.974 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.026 -23.073 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.964 -20.776 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.158 -24.535 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.753 -21.357 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.956 -25.115 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.735 -23.522 0.737 1.00 0.00 H new ATOM 385 N MET A 25 -6.169 -21.457 -4.613 1.00 0.00 N ATOM 386 CA MET A 25 -5.363 -21.678 -5.836 1.00 0.00 C ATOM 387 C MET A 25 -5.587 -20.591 -6.906 1.00 0.00 C ATOM 388 O MET A 25 -4.780 -20.482 -7.842 1.00 0.00 O ATOM 389 CB MET A 25 -5.640 -23.093 -6.405 1.00 0.00 C ATOM 390 CG MET A 25 -5.096 -24.234 -5.522 1.00 0.00 C ATOM 391 SD MET A 25 -3.316 -24.093 -5.187 1.00 0.00 S ATOM 392 CE MET A 25 -2.636 -23.793 -6.827 1.00 0.00 C ATOM 0 H MET A 25 -7.175 -21.435 -4.780 1.00 0.00 H new ATOM 0 HA MET A 25 -4.313 -21.607 -5.551 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.715 -23.222 -6.527 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.195 -23.170 -7.397 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.638 -24.243 -4.576 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.293 -25.188 -6.011 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.555 -23.671 -6.756 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.864 -24.639 -7.476 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.077 -22.887 -7.244 1.00 0.00 H new ATOM 402 N ALA A 26 -6.655 -19.778 -6.758 1.00 0.00 N ATOM 403 CA ALA A 26 -7.018 -18.719 -7.747 1.00 0.00 C ATOM 404 C ALA A 26 -5.913 -17.672 -7.909 1.00 0.00 C ATOM 405 O ALA A 26 -5.659 -17.165 -9.006 1.00 0.00 O ATOM 406 CB ALA A 26 -8.308 -18.010 -7.313 1.00 0.00 C ATOM 0 H ALA A 26 -7.289 -19.829 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.160 -19.218 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.563 -17.240 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.119 -18.735 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.159 -17.550 -6.336 1.00 0.00 H new ATOM 412 N TRP A 27 -5.261 -17.370 -6.791 1.00 0.00 N ATOM 413 CA TRP A 27 -4.309 -16.257 -6.680 1.00 0.00 C ATOM 414 C TRP A 27 -2.850 -16.693 -6.933 1.00 0.00 C ATOM 415 O TRP A 27 -1.912 -15.941 -6.652 1.00 0.00 O ATOM 416 CB TRP A 27 -4.473 -15.642 -5.287 1.00 0.00 C ATOM 417 CG TRP A 27 -5.803 -14.966 -5.053 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.956 -15.534 -4.591 1.00 0.00 C ATOM 419 CD2 TRP A 27 -6.097 -13.580 -5.270 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.942 -14.588 -4.511 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.437 -13.378 -4.915 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.340 -12.485 -5.711 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -8.055 -12.132 -5.014 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -5.948 -11.253 -5.805 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.293 -11.080 -5.447 1.00 0.00 C ATOM 0 H TRP A 27 -5.376 -17.894 -5.923 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.528 -15.520 -7.453 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.342 -16.425 -4.540 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.677 -14.914 -5.129 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.072 -16.575 -4.328 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.899 -14.756 -4.201 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.299 -12.606 -5.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.096 -12.002 -4.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.380 -10.406 -6.160 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.736 -10.098 -5.514 1.00 0.00 H new ATOM 436 N TRP A 28 -2.675 -17.896 -7.488 1.00 0.00 N ATOM 437 CA TRP A 28 -1.360 -18.427 -7.899 1.00 0.00 C ATOM 438 C TRP A 28 -1.184 -18.229 -9.409 1.00 0.00 C ATOM 439 O TRP A 28 -2.173 -18.161 -10.155 1.00 0.00 O ATOM 440 CB TRP A 28 -1.252 -19.933 -7.543 1.00 0.00 C ATOM 441 CG TRP A 28 -1.361 -20.238 -6.062 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.397 -19.932 -5.228 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.408 -20.947 -5.251 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.130 -20.388 -3.972 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.929 -21.009 -3.951 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.834 -21.522 -5.495 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.266 -21.627 -2.902 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.498 -22.138 -4.456 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.948 -22.185 -3.168 1.00 0.00 C ATOM 0 H TRP A 28 -3.446 -18.539 -7.669 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.574 -17.890 -7.368 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.036 -20.475 -8.071 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.299 -20.313 -7.910 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.294 -19.407 -5.520 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.746 -20.277 -3.166 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.271 -21.487 -6.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.695 -21.665 -1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.460 -22.593 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.495 -22.671 -2.374 1.00 0.00 H new ATOM 460 N ALA A 29 0.075 -18.109 -9.846 1.00 0.00 N ATOM 461 CA ALA A 29 0.416 -18.010 -11.277 1.00 0.00 C ATOM 462 C ALA A 29 0.380 -19.396 -11.928 1.00 0.00 C ATOM 463 O ALA A 29 0.572 -20.406 -11.251 1.00 0.00 O ATOM 464 CB ALA A 29 1.795 -17.363 -11.463 1.00 0.00 C ATOM 0 H ALA A 29 0.884 -18.078 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.325 -17.377 -11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.027 -17.300 -12.526 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.788 -16.361 -11.033 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.551 -17.968 -10.962 1.00 0.00 H new ATOM 470 N ASP A 30 0.144 -19.427 -13.245 1.00 0.00 N ATOM 471 CA ASP A 30 0.139 -20.677 -14.036 1.00 0.00 C ATOM 472 C ASP A 30 1.527 -21.360 -14.011 1.00 0.00 C ATOM 473 O ASP A 30 1.624 -22.586 -14.037 1.00 0.00 O ATOM 474 CB ASP A 30 -0.299 -20.367 -15.489 1.00 0.00 C ATOM 475 CG ASP A 30 -0.275 -21.588 -16.430 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.192 -22.439 -16.344 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.667 -21.709 -17.245 1.00 0.00 O ATOM 0 H ASP A 30 -0.049 -18.592 -13.797 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.572 -21.372 -13.590 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.308 -19.955 -15.472 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.354 -19.595 -15.897 1.00 0.00 H new ATOM 482 N ASP A 31 2.585 -20.537 -13.930 1.00 0.00 N ATOM 483 CA ASP A 31 3.990 -21.000 -13.900 1.00 0.00 C ATOM 484 C ASP A 31 4.542 -21.023 -12.462 1.00 0.00 C ATOM 485 O ASP A 31 5.767 -21.080 -12.269 1.00 0.00 O ATOM 486 CB ASP A 31 4.863 -20.069 -14.786 1.00 0.00 C ATOM 487 CG ASP A 31 4.401 -20.011 -16.253 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.783 -20.901 -17.042 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.652 -19.078 -16.620 1.00 0.00 O ATOM 0 H ASP A 31 2.493 -19.522 -13.883 1.00 0.00 H new ATOM 0 HA ASP A 31 4.023 -22.018 -14.289 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.847 -19.062 -14.368 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.897 -20.412 -14.752 1.00 0.00 H new ATOM 494 N CYS A 32 3.632 -21.003 -11.457 1.00 0.00 N ATOM 495 CA CYS A 32 4.026 -20.909 -10.036 1.00 0.00 C ATOM 496 C CYS A 32 4.815 -22.141 -9.589 1.00 0.00 C ATOM 497 O CYS A 32 4.301 -23.258 -9.616 1.00 0.00 O ATOM 498 CB CYS A 32 2.808 -20.731 -9.112 1.00 0.00 C ATOM 499 SG CYS A 32 3.250 -20.532 -7.369 1.00 0.00 S ATOM 0 H CYS A 32 2.624 -21.051 -11.607 1.00 0.00 H new ATOM 0 HA CYS A 32 4.661 -20.027 -9.955 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.240 -19.859 -9.437 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.153 -21.596 -9.216 1.00 0.00 H new ATOM 0 HG CYS A 32 2.168 -20.478 -6.650 1.00 0.00 H new ATOM 505 N GLN A 33 6.069 -21.923 -9.183 1.00 0.00 N ATOM 506 CA GLN A 33 6.915 -22.978 -8.609 1.00 0.00 C ATOM 507 C GLN A 33 6.500 -23.222 -7.149 1.00 0.00 C ATOM 508 O GLN A 33 5.942 -22.327 -6.509 1.00 0.00 O ATOM 509 CB GLN A 33 8.405 -22.568 -8.698 1.00 0.00 C ATOM 510 CG GLN A 33 8.884 -22.197 -10.115 1.00 0.00 C ATOM 511 CD GLN A 33 8.833 -23.345 -11.122 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.767 -24.145 -11.220 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.755 -23.417 -11.893 1.00 0.00 N ATOM 0 H GLN A 33 6.527 -21.014 -9.242 1.00 0.00 H new ATOM 0 HA GLN A 33 6.784 -23.902 -9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.575 -21.718 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.017 -23.389 -8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.272 -21.376 -10.488 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.908 -21.829 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.003 -22.737 -11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.679 -24.152 -12.596 1.00 0.00 H new ATOM 522 N TYR A 34 6.747 -24.431 -6.639 1.00 0.00 N ATOM 523 CA TYR A 34 6.429 -24.801 -5.256 1.00 0.00 C ATOM 524 C TYR A 34 7.579 -25.643 -4.702 1.00 0.00 C ATOM 525 O TYR A 34 7.783 -26.790 -5.125 1.00 0.00 O ATOM 526 CB TYR A 34 5.087 -25.575 -5.205 1.00 0.00 C ATOM 527 CG TYR A 34 4.548 -25.834 -3.790 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.863 -24.834 -3.094 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.725 -27.067 -3.150 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.373 -25.052 -1.821 1.00 0.00 C ATOM 531 CE2 TYR A 34 4.235 -27.288 -1.875 1.00 0.00 C ATOM 532 CZ TYR A 34 3.563 -26.276 -1.212 1.00 0.00 C ATOM 533 OH TYR A 34 3.072 -26.492 0.062 1.00 0.00 O ATOM 0 H TYR A 34 7.175 -25.185 -7.176 1.00 0.00 H new ATOM 0 HA TYR A 34 6.314 -23.908 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.339 -25.016 -5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.216 -26.532 -5.711 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.714 -23.872 -3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.253 -27.859 -3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.842 -24.267 -1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.376 -28.247 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 34 3.809 -26.454 0.707 1.00 0.00 H new ATOM 543 N TYR A 35 8.323 -25.057 -3.755 1.00 0.00 N ATOM 544 CA TYR A 35 9.484 -25.686 -3.127 1.00 0.00 C ATOM 545 C TYR A 35 9.209 -25.966 -1.644 1.00 0.00 C ATOM 546 O TYR A 35 8.603 -25.152 -0.941 1.00 0.00 O ATOM 547 CB TYR A 35 10.751 -24.801 -3.260 1.00 0.00 C ATOM 548 CG TYR A 35 11.258 -24.619 -4.702 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.816 -23.573 -5.514 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.188 -25.503 -5.246 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.291 -23.422 -6.802 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.659 -25.354 -6.527 1.00 0.00 C ATOM 553 CZ TYR A 35 12.209 -24.316 -7.302 1.00 0.00 C ATOM 554 OH TYR A 35 12.679 -24.177 -8.583 1.00 0.00 O ATOM 0 H TYR A 35 8.130 -24.120 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 35 9.664 -26.627 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.538 -23.819 -2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.549 -25.240 -2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.091 -22.871 -5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.547 -26.325 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.943 -22.604 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.382 -26.052 -6.923 1.00 0.00 H new ATOM 0 HH TYR A 35 13.321 -24.892 -8.775 1.00 0.00 H new ATOM 564 N ALA A 36 9.645 -27.144 -1.209 1.00 0.00 N ATOM 565 CA ALA A 36 9.751 -27.500 0.206 1.00 0.00 C ATOM 566 C ALA A 36 11.163 -27.156 0.688 1.00 0.00 C ATOM 567 O ALA A 36 12.094 -27.111 -0.120 1.00 0.00 O ATOM 568 CB ALA A 36 9.447 -28.994 0.395 1.00 0.00 C ATOM 0 H ALA A 36 9.940 -27.891 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 36 9.026 -26.939 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.528 -29.251 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.436 -29.207 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.161 -29.586 -0.178 1.00 0.00 H new ATOM 574 N PHE A 37 11.295 -26.919 1.996 1.00 0.00 N ATOM 575 CA PHE A 37 12.577 -26.590 2.658 1.00 0.00 C ATOM 576 C PHE A 37 13.720 -27.595 2.285 1.00 0.00 C ATOM 577 O PHE A 37 13.496 -28.811 2.313 1.00 0.00 O ATOM 578 CB PHE A 37 12.366 -26.545 4.200 1.00 0.00 C ATOM 579 CG PHE A 37 11.705 -27.799 4.798 1.00 0.00 C ATOM 580 CD1 PHE A 37 10.313 -27.939 4.809 1.00 0.00 C ATOM 581 CD2 PHE A 37 12.468 -28.839 5.332 1.00 0.00 C ATOM 582 CE1 PHE A 37 9.713 -29.066 5.330 1.00 0.00 C ATOM 583 CE2 PHE A 37 11.862 -29.969 5.856 1.00 0.00 C ATOM 584 CZ PHE A 37 10.486 -30.082 5.852 1.00 0.00 C ATOM 0 H PHE A 37 10.506 -26.949 2.642 1.00 0.00 H new ATOM 0 HA PHE A 37 12.896 -25.611 2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.333 -26.397 4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.753 -25.677 4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.697 -27.150 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.545 -28.761 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.637 -29.153 5.329 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.467 -30.763 6.268 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.015 -30.965 6.257 1.00 0.00 H new ATOM 594 N PRO A 38 14.946 -27.119 1.857 1.00 0.00 N ATOM 595 CA PRO A 38 15.261 -25.687 1.614 1.00 0.00 C ATOM 596 C PRO A 38 14.744 -25.200 0.231 1.00 0.00 C ATOM 597 O PRO A 38 14.278 -24.065 0.096 1.00 0.00 O ATOM 598 CB PRO A 38 16.807 -25.661 1.693 1.00 0.00 C ATOM 599 CG PRO A 38 17.232 -27.009 1.178 1.00 0.00 C ATOM 600 CD PRO A 38 16.138 -27.985 1.598 1.00 0.00 C ATOM 0 HA PRO A 38 14.781 -25.017 2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.222 -24.856 1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.150 -25.500 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.346 -26.994 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.196 -27.300 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.936 -28.716 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.424 -28.544 2.489 1.00 0.00 H new ATOM 608 N ALA A 39 14.820 -26.098 -0.768 1.00 0.00 N ATOM 609 CA ALA A 39 14.345 -25.871 -2.134 1.00 0.00 C ATOM 610 C ALA A 39 14.139 -27.243 -2.792 1.00 0.00 C ATOM 611 O ALA A 39 15.095 -27.850 -3.283 1.00 0.00 O ATOM 612 CB ALA A 39 15.333 -24.996 -2.933 1.00 0.00 C ATOM 0 H ALA A 39 15.225 -27.025 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 39 13.402 -25.325 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.952 -24.846 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.445 -24.030 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.302 -25.493 -2.981 1.00 0.00 H new ATOM 618 N THR A 40 12.897 -27.750 -2.737 1.00 0.00 N ATOM 619 CA THR A 40 12.523 -29.066 -3.286 1.00 0.00 C ATOM 620 C THR A 40 11.281 -28.893 -4.161 1.00 0.00 C ATOM 621 O THR A 40 10.188 -28.739 -3.630 1.00 0.00 O ATOM 622 CB THR A 40 12.216 -30.083 -2.132 1.00 0.00 C ATOM 623 OG1 THR A 40 13.232 -29.986 -1.120 1.00 0.00 O ATOM 624 CG2 THR A 40 12.122 -31.533 -2.645 1.00 0.00 C ATOM 0 H THR A 40 12.116 -27.255 -2.307 1.00 0.00 H new ATOM 0 HA THR A 40 13.352 -29.459 -3.875 1.00 0.00 H new ATOM 0 HB THR A 40 11.245 -29.823 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.112 -29.155 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.908 -32.201 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.323 -31.607 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.068 -31.818 -3.105 1.00 0.00 H new ATOM 632 N LEU A 41 11.446 -28.879 -5.489 1.00 0.00 N ATOM 633 CA LEU A 41 10.328 -28.615 -6.403 1.00 0.00 C ATOM 634 C LEU A 41 9.381 -29.828 -6.459 1.00 0.00 C ATOM 635 O LEU A 41 9.682 -30.824 -7.123 1.00 0.00 O ATOM 636 CB LEU A 41 10.858 -28.265 -7.820 1.00 0.00 C ATOM 637 CG LEU A 41 9.801 -27.673 -8.802 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.253 -26.326 -8.287 1.00 0.00 C ATOM 639 CD2 LEU A 41 10.376 -27.536 -10.227 1.00 0.00 C ATOM 0 H LEU A 41 12.339 -29.047 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 41 9.766 -27.760 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.674 -27.550 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.278 -29.167 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 41 8.966 -28.372 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.518 -25.938 -8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.781 -26.473 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.072 -25.614 -8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.615 -27.121 -10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.241 -26.873 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.678 -28.517 -10.593 1.00 0.00 H new ATOM 651 N LEU A 42 8.250 -29.742 -5.731 1.00 0.00 N ATOM 652 CA LEU A 42 7.189 -30.772 -5.789 1.00 0.00 C ATOM 653 C LEU A 42 6.287 -30.490 -6.991 1.00 0.00 C ATOM 654 O LEU A 42 5.759 -31.414 -7.624 1.00 0.00 O ATOM 655 CB LEU A 42 6.309 -30.814 -4.497 1.00 0.00 C ATOM 656 CG LEU A 42 7.030 -30.966 -3.119 1.00 0.00 C ATOM 657 CD1 LEU A 42 8.237 -31.923 -3.188 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.407 -29.597 -2.537 1.00 0.00 C ATOM 0 H LEU A 42 8.046 -28.971 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 42 7.683 -31.740 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.719 -29.898 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.607 -31.641 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 42 6.320 -31.428 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.702 -31.993 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.900 -32.911 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.963 -31.542 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.907 -29.734 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.077 -29.081 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.505 -29.002 -2.394 1.00 0.00 H new ATOM 670 N ALA A 43 6.111 -29.185 -7.270 1.00 0.00 N ATOM 671 CA ALA A 43 5.172 -28.701 -8.284 1.00 0.00 C ATOM 672 C ALA A 43 5.712 -27.430 -8.968 1.00 0.00 C ATOM 673 O ALA A 43 5.889 -26.407 -8.318 1.00 0.00 O ATOM 674 CB ALA A 43 3.833 -28.445 -7.596 1.00 0.00 C ATOM 0 H ALA A 43 6.620 -28.440 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 43 5.043 -29.445 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.111 -28.083 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.468 -29.372 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.963 -27.697 -6.814 1.00 0.00 H new ATOM 680 N GLY A 44 5.966 -27.511 -10.288 1.00 0.00 N ATOM 681 CA GLY A 44 6.575 -26.413 -11.057 1.00 0.00 C ATOM 682 C GLY A 44 5.590 -25.716 -11.980 1.00 0.00 C ATOM 683 O GLY A 44 5.922 -25.425 -13.136 1.00 0.00 O ATOM 0 H GLY A 44 5.755 -28.337 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.996 -25.683 -10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.402 -26.806 -11.648 1.00 0.00 H new ATOM 687 N ASN A 45 4.407 -25.399 -11.424 1.00 0.00 N ATOM 688 CA ASN A 45 3.207 -24.869 -12.144 1.00 0.00 C ATOM 689 C ASN A 45 1.958 -25.062 -11.260 1.00 0.00 C ATOM 690 O ASN A 45 1.914 -25.998 -10.451 1.00 0.00 O ATOM 691 CB ASN A 45 2.949 -25.528 -13.536 1.00 0.00 C ATOM 692 CG ASN A 45 2.720 -27.036 -13.477 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.605 -27.496 -13.261 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.769 -27.814 -13.680 1.00 0.00 N ATOM 0 H ASN A 45 4.241 -25.504 -10.423 1.00 0.00 H new ATOM 0 HA ASN A 45 3.409 -23.815 -12.334 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.079 -25.057 -13.994 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.800 -25.325 -14.186 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.663 -28.828 -13.659 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.684 -27.400 -13.857 1.00 0.00 H new ATOM 701 N ALA A 46 0.927 -24.217 -11.476 1.00 0.00 N ATOM 702 CA ALA A 46 -0.307 -24.196 -10.644 1.00 0.00 C ATOM 703 C ALA A 46 -1.111 -25.507 -10.724 1.00 0.00 C ATOM 704 O ALA A 46 -1.838 -25.831 -9.779 1.00 0.00 O ATOM 705 CB ALA A 46 -1.204 -23.012 -11.038 1.00 0.00 C ATOM 0 H ALA A 46 0.921 -23.529 -12.229 1.00 0.00 H new ATOM 0 HA ALA A 46 0.023 -24.083 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.101 -23.013 -10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.661 -22.079 -10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.487 -23.103 -12.087 1.00 0.00 H new ATOM 711 N ALA A 47 -0.978 -26.248 -11.847 1.00 0.00 N ATOM 712 CA ALA A 47 -1.726 -27.508 -12.071 1.00 0.00 C ATOM 713 C ALA A 47 -1.359 -28.559 -11.017 1.00 0.00 C ATOM 714 O ALA A 47 -2.235 -29.113 -10.351 1.00 0.00 O ATOM 715 CB ALA A 47 -1.462 -28.066 -13.479 1.00 0.00 C ATOM 0 H ALA A 47 -0.357 -25.995 -12.616 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.788 -27.278 -11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.023 -28.990 -13.615 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.778 -27.336 -14.225 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.397 -28.268 -13.597 1.00 0.00 H new ATOM 721 N GLU A 48 -0.046 -28.785 -10.851 1.00 0.00 N ATOM 722 CA GLU A 48 0.479 -29.787 -9.907 1.00 0.00 C ATOM 723 C GLU A 48 0.220 -29.363 -8.445 1.00 0.00 C ATOM 724 O GLU A 48 -0.012 -30.213 -7.576 1.00 0.00 O ATOM 725 CB GLU A 48 1.993 -30.003 -10.120 1.00 0.00 C ATOM 726 CG GLU A 48 2.424 -30.351 -11.547 1.00 0.00 C ATOM 727 CD GLU A 48 3.912 -30.758 -11.622 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.225 -31.957 -11.425 1.00 0.00 O ATOM 729 OE2 GLU A 48 4.775 -29.882 -11.845 1.00 0.00 O ATOM 0 H GLU A 48 0.678 -28.282 -11.364 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.045 -30.723 -10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.516 -29.097 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.323 -30.802 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.806 -31.167 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.250 -29.493 -12.197 1.00 0.00 H new ATOM 736 N ILE A 49 0.255 -28.041 -8.196 1.00 0.00 N ATOM 737 CA ILE A 49 0.031 -27.472 -6.857 1.00 0.00 C ATOM 738 C ILE A 49 -1.444 -27.655 -6.438 1.00 0.00 C ATOM 739 O ILE A 49 -1.725 -28.044 -5.299 1.00 0.00 O ATOM 740 CB ILE A 49 0.406 -25.939 -6.799 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.847 -25.678 -7.323 1.00 0.00 C ATOM 742 CG2 ILE A 49 0.256 -25.385 -5.368 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.251 -24.220 -7.418 1.00 0.00 C ATOM 0 H ILE A 49 0.439 -27.341 -8.915 1.00 0.00 H new ATOM 0 HA ILE A 49 0.681 -28.007 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.292 -25.416 -7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.552 -26.191 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.943 -26.129 -8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.521 -24.328 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.776 -25.504 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.917 -25.931 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.272 -24.149 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.577 -23.699 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.195 -23.762 -6.431 1.00 0.00 H new ATOM 755 N ARG A 50 -2.379 -27.398 -7.387 1.00 0.00 N ATOM 756 CA ARG A 50 -3.825 -27.395 -7.093 1.00 0.00 C ATOM 757 C ARG A 50 -4.320 -28.816 -6.808 1.00 0.00 C ATOM 758 O ARG A 50 -4.994 -29.041 -5.807 1.00 0.00 O ATOM 759 CB ARG A 50 -4.655 -26.699 -8.230 1.00 0.00 C ATOM 760 CG ARG A 50 -4.871 -27.506 -9.532 1.00 0.00 C ATOM 761 CD ARG A 50 -5.630 -26.721 -10.623 1.00 0.00 C ATOM 762 NE ARG A 50 -6.073 -27.592 -11.738 1.00 0.00 N ATOM 763 CZ ARG A 50 -6.535 -27.159 -12.928 1.00 0.00 C ATOM 764 NH1 ARG A 50 -6.478 -25.877 -13.261 1.00 0.00 N ATOM 765 NH2 ARG A 50 -7.033 -28.025 -13.802 1.00 0.00 N ATOM 0 H ARG A 50 -2.152 -27.191 -8.360 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.982 -26.801 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.633 -26.439 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.158 -25.764 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.902 -27.814 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.424 -28.416 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.498 -26.233 -10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.987 -25.933 -11.014 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.024 -28.600 -11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.079 -25.199 -12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.833 -25.569 -14.166 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.066 -29.018 -13.573 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.383 -27.697 -14.702 1.00 0.00 H new ATOM 779 N VAL A 51 -3.897 -29.780 -7.649 1.00 0.00 N ATOM 780 CA VAL A 51 -4.381 -31.170 -7.580 1.00 0.00 C ATOM 781 C VAL A 51 -3.882 -31.890 -6.312 1.00 0.00 C ATOM 782 O VAL A 51 -4.608 -32.703 -5.724 1.00 0.00 O ATOM 783 CB VAL A 51 -3.989 -31.980 -8.869 1.00 0.00 C ATOM 784 CG1 VAL A 51 -4.658 -31.375 -10.125 1.00 0.00 C ATOM 785 CG2 VAL A 51 -2.453 -32.078 -9.056 1.00 0.00 C ATOM 0 H VAL A 51 -3.215 -29.617 -8.390 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.469 -31.123 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.361 -32.996 -8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.372 -31.953 -11.004 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.741 -31.403 -10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.333 -30.342 -10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.232 -32.646 -9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.033 -31.076 -9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.013 -32.580 -8.195 1.00 0.00 H new ATOM 795 N ARG A 52 -2.649 -31.558 -5.894 1.00 0.00 N ATOM 796 CA ARG A 52 -2.035 -32.106 -4.676 1.00 0.00 C ATOM 797 C ARG A 52 -2.717 -31.521 -3.421 1.00 0.00 C ATOM 798 O ARG A 52 -2.965 -32.237 -2.443 1.00 0.00 O ATOM 799 CB ARG A 52 -0.518 -31.805 -4.667 1.00 0.00 C ATOM 800 CG ARG A 52 0.216 -32.330 -3.416 1.00 0.00 C ATOM 801 CD ARG A 52 1.739 -32.136 -3.462 1.00 0.00 C ATOM 802 NE ARG A 52 2.378 -32.743 -2.276 1.00 0.00 N ATOM 803 CZ ARG A 52 3.593 -33.308 -2.246 1.00 0.00 C ATOM 804 NH1 ARG A 52 4.356 -33.351 -3.332 1.00 0.00 N ATOM 805 NH2 ARG A 52 4.030 -33.858 -1.125 1.00 0.00 N ATOM 0 H ARG A 52 -2.050 -30.901 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.174 -33.187 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.065 -32.247 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.371 -30.727 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.179 -31.823 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.002 -33.391 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.141 -32.587 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.974 -31.073 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 52 1.848 -32.731 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.020 -32.950 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.278 -33.785 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.443 -33.850 -0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.954 -34.290 -1.095 1.00 0.00 H new ATOM 819 N HIS A 53 -3.029 -30.208 -3.477 1.00 0.00 N ATOM 820 CA HIS A 53 -3.714 -29.495 -2.378 1.00 0.00 C ATOM 821 C HIS A 53 -5.133 -30.034 -2.154 1.00 0.00 C ATOM 822 O HIS A 53 -5.593 -30.064 -1.020 1.00 0.00 O ATOM 823 CB HIS A 53 -3.732 -27.954 -2.611 1.00 0.00 C ATOM 824 CG HIS A 53 -2.493 -27.243 -2.129 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.835 -26.276 -2.857 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.823 -27.344 -0.956 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.817 -25.813 -2.152 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.788 -26.446 -0.997 1.00 0.00 N ATOM 0 H HIS A 53 -2.815 -29.616 -4.280 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.140 -29.683 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.858 -27.760 -3.676 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.600 -27.531 -2.105 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.060 -28.009 -0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.126 -25.046 -2.469 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.106 -26.293 -0.254 1.00 0.00 H new ATOM 837 N ILE A 54 -5.814 -30.473 -3.234 1.00 0.00 N ATOM 838 CA ILE A 54 -7.155 -31.090 -3.133 1.00 0.00 C ATOM 839 C ILE A 54 -7.103 -32.332 -2.213 1.00 0.00 C ATOM 840 O ILE A 54 -7.910 -32.460 -1.288 1.00 0.00 O ATOM 841 CB ILE A 54 -7.714 -31.473 -4.555 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.879 -30.196 -5.434 1.00 0.00 C ATOM 843 CG2 ILE A 54 -9.053 -32.245 -4.465 1.00 0.00 C ATOM 844 CD1 ILE A 54 -8.247 -30.451 -6.883 1.00 0.00 C ATOM 0 H ILE A 54 -5.457 -30.412 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.835 -30.359 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.988 -32.138 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.646 -29.564 -4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.946 -29.633 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.401 -32.488 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.905 -33.165 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.797 -31.626 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.338 -29.500 -7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.471 -31.053 -7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.197 -30.983 -6.929 1.00 0.00 H new ATOM 856 N GLU A 55 -6.094 -33.190 -2.446 1.00 0.00 N ATOM 857 CA GLU A 55 -5.870 -34.419 -1.655 1.00 0.00 C ATOM 858 C GLU A 55 -5.458 -34.090 -0.201 1.00 0.00 C ATOM 859 O GLU A 55 -5.819 -34.811 0.734 1.00 0.00 O ATOM 860 CB GLU A 55 -4.803 -35.301 -2.353 1.00 0.00 C ATOM 861 CG GLU A 55 -5.179 -35.691 -3.793 1.00 0.00 C ATOM 862 CD GLU A 55 -4.144 -36.598 -4.467 1.00 0.00 C ATOM 863 OE1 GLU A 55 -3.134 -36.078 -4.974 1.00 0.00 O ATOM 864 OE2 GLU A 55 -4.328 -37.837 -4.481 1.00 0.00 O ATOM 0 H GLU A 55 -5.408 -33.053 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.807 -34.973 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.853 -34.767 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.652 -36.207 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.144 -36.197 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.300 -34.785 -4.387 1.00 0.00 H new ATOM 871 N ARG A 56 -4.722 -32.980 -0.031 1.00 0.00 N ATOM 872 CA ARG A 56 -4.329 -32.464 1.301 1.00 0.00 C ATOM 873 C ARG A 56 -5.564 -31.976 2.091 1.00 0.00 C ATOM 874 O ARG A 56 -5.637 -32.150 3.308 1.00 0.00 O ATOM 875 CB ARG A 56 -3.272 -31.330 1.141 1.00 0.00 C ATOM 876 CG ARG A 56 -2.813 -30.634 2.453 1.00 0.00 C ATOM 877 CD ARG A 56 -2.297 -31.614 3.535 1.00 0.00 C ATOM 878 NE ARG A 56 -1.214 -32.484 3.047 1.00 0.00 N ATOM 879 CZ ARG A 56 -0.413 -33.241 3.815 1.00 0.00 C ATOM 880 NH1 ARG A 56 -0.538 -33.250 5.136 1.00 0.00 N ATOM 881 NH2 ARG A 56 0.475 -34.028 3.237 1.00 0.00 N ATOM 0 H ARG A 56 -4.381 -32.413 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.878 -33.275 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.394 -31.747 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.681 -30.571 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.024 -29.920 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.647 -30.064 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.941 -31.045 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.124 -32.232 3.883 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.059 -32.515 2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.252 -32.676 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.079 -33.831 5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.546 -34.056 2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.090 -34.608 3.807 1.00 0.00 H new ATOM 895 N PHE A 57 -6.544 -31.405 1.381 1.00 0.00 N ATOM 896 CA PHE A 57 -7.779 -30.859 1.994 1.00 0.00 C ATOM 897 C PHE A 57 -8.795 -31.973 2.343 1.00 0.00 C ATOM 898 O PHE A 57 -9.862 -31.686 2.892 1.00 0.00 O ATOM 899 CB PHE A 57 -8.411 -29.784 1.054 1.00 0.00 C ATOM 900 CG PHE A 57 -7.731 -28.403 1.073 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.352 -28.259 1.234 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.487 -27.247 0.929 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.766 -27.013 1.250 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.899 -25.998 0.948 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.544 -25.882 1.108 1.00 0.00 C ATOM 0 H PHE A 57 -6.512 -31.304 0.366 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.507 -30.382 2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.393 -30.164 0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.458 -29.657 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.735 -29.138 1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.556 -27.327 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.697 -26.921 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.508 -25.113 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.084 -24.905 1.123 1.00 0.00 H new ATOM 915 N LYS A 58 -8.464 -33.239 2.011 1.00 0.00 N ATOM 916 CA LYS A 58 -9.249 -34.415 2.443 1.00 0.00 C ATOM 917 C LYS A 58 -8.822 -34.869 3.855 1.00 0.00 C ATOM 918 O LYS A 58 -9.571 -35.590 4.523 1.00 0.00 O ATOM 919 CB LYS A 58 -9.090 -35.583 1.433 1.00 0.00 C ATOM 920 CG LYS A 58 -9.320 -35.184 -0.039 1.00 0.00 C ATOM 921 CD LYS A 58 -10.682 -34.487 -0.279 1.00 0.00 C ATOM 922 CE LYS A 58 -10.798 -33.918 -1.698 1.00 0.00 C ATOM 923 NZ LYS A 58 -12.071 -33.199 -1.906 1.00 0.00 N ATOM 0 H LYS A 58 -7.652 -33.474 1.441 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.299 -34.125 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.088 -36.000 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.792 -36.374 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.518 -34.518 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.261 -36.075 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.488 -35.200 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.809 -33.682 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.965 -33.241 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.718 -34.730 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.107 -32.831 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.867 -33.851 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.137 -32.408 -1.234 1.00 0.00 H new ATOM 937 N GLU A 59 -7.606 -34.449 4.279 1.00 0.00 N ATOM 938 CA GLU A 59 -7.059 -34.743 5.619 1.00 0.00 C ATOM 939 C GLU A 59 -7.976 -34.133 6.705 1.00 0.00 C ATOM 940 O GLU A 59 -8.073 -32.912 6.787 1.00 0.00 O ATOM 941 CB GLU A 59 -5.620 -34.171 5.724 1.00 0.00 C ATOM 942 CG GLU A 59 -4.909 -34.385 7.078 1.00 0.00 C ATOM 943 CD GLU A 59 -3.450 -33.889 7.062 1.00 0.00 C ATOM 944 OE1 GLU A 59 -2.559 -34.658 6.638 1.00 0.00 O ATOM 945 OE2 GLU A 59 -3.186 -32.731 7.449 1.00 0.00 O ATOM 0 H GLU A 59 -6.977 -33.895 3.697 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.019 -35.821 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.012 -34.623 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.659 -33.101 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.459 -33.862 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.926 -35.445 7.331 1.00 0.00 H new ATOM 952 N PRO A 60 -8.662 -34.974 7.547 1.00 0.00 N ATOM 953 CA PRO A 60 -9.731 -34.503 8.477 1.00 0.00 C ATOM 954 C PRO A 60 -9.233 -33.484 9.523 1.00 0.00 C ATOM 955 O PRO A 60 -9.966 -32.572 9.920 1.00 0.00 O ATOM 956 CB PRO A 60 -10.219 -35.816 9.152 1.00 0.00 C ATOM 957 CG PRO A 60 -9.069 -36.765 9.009 1.00 0.00 C ATOM 958 CD PRO A 60 -8.443 -36.442 7.673 1.00 0.00 C ATOM 0 HA PRO A 60 -10.516 -33.962 7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.470 -35.653 10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.115 -36.203 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.352 -36.637 9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.408 -37.800 9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.383 -36.695 7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.918 -36.992 6.861 1.00 0.00 H new ATOM 966 N ASP A 61 -7.969 -33.636 9.930 1.00 0.00 N ATOM 967 CA ASP A 61 -7.355 -32.816 10.989 1.00 0.00 C ATOM 968 C ASP A 61 -6.615 -31.591 10.436 1.00 0.00 C ATOM 969 O ASP A 61 -6.091 -30.806 11.231 1.00 0.00 O ATOM 970 CB ASP A 61 -6.401 -33.694 11.831 1.00 0.00 C ATOM 971 CG ASP A 61 -7.158 -34.709 12.700 1.00 0.00 C ATOM 972 OD1 ASP A 61 -7.525 -35.799 12.196 1.00 0.00 O ATOM 973 OD2 ASP A 61 -7.408 -34.408 13.886 1.00 0.00 O ATOM 0 H ASP A 61 -7.337 -34.333 9.535 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.158 -32.432 11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.719 -34.225 11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.792 -33.055 12.470 1.00 0.00 H new ATOM 978 N LEU A 62 -6.594 -31.408 9.096 1.00 0.00 N ATOM 979 CA LEU A 62 -5.927 -30.249 8.462 1.00 0.00 C ATOM 980 C LEU A 62 -6.587 -28.917 8.888 1.00 0.00 C ATOM 981 O LEU A 62 -7.777 -28.696 8.644 1.00 0.00 O ATOM 982 CB LEU A 62 -5.961 -30.349 6.916 1.00 0.00 C ATOM 983 CG LEU A 62 -5.237 -29.181 6.161 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.702 -29.261 6.334 1.00 0.00 C ATOM 985 CD2 LEU A 62 -5.646 -29.119 4.674 1.00 0.00 C ATOM 0 H LEU A 62 -7.031 -32.048 8.433 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.891 -30.265 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.504 -31.293 6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.001 -30.382 6.592 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.565 -28.247 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.232 -28.437 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.451 -29.195 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.340 -30.208 5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.122 -28.296 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.383 -30.057 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.722 -28.960 4.599 1.00 0.00 H new ATOM 997 N TYR A 63 -5.806 -28.046 9.537 1.00 0.00 N ATOM 998 CA TYR A 63 -6.244 -26.694 9.898 1.00 0.00 C ATOM 999 C TYR A 63 -5.025 -25.772 9.937 1.00 0.00 C ATOM 1000 O TYR A 63 -4.039 -26.086 10.596 1.00 0.00 O ATOM 1001 CB TYR A 63 -6.973 -26.717 11.267 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.583 -25.369 11.694 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.803 -24.933 11.166 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.942 -24.537 12.621 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.355 -23.724 11.547 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.495 -23.331 13.001 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.698 -22.930 12.464 1.00 0.00 C ATOM 1008 OH TYR A 63 -9.250 -21.728 12.851 1.00 0.00 O ATOM 0 H TYR A 63 -4.852 -28.259 9.827 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.947 -26.319 9.154 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.766 -27.463 11.228 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.268 -27.040 12.033 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.322 -25.551 10.449 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.998 -24.845 13.046 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.297 -23.402 11.128 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.986 -22.704 13.717 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.662 -21.293 13.503 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.097 -24.645 9.220 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.030 -23.648 9.230 1.00 0.00 C ATOM 1020 C GLY A 64 -4.398 -22.461 10.094 1.00 0.00 C ATOM 1021 O GLY A 64 -5.232 -21.641 9.694 1.00 0.00 O ATOM 0 H GLY A 64 -5.889 -24.403 8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.110 -24.100 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.832 -23.313 8.212 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.804 -22.390 11.295 1.00 0.00 N ATOM 1026 CA GLU A 65 -3.994 -21.270 12.217 1.00 0.00 C ATOM 1027 C GLU A 65 -2.827 -20.290 12.078 1.00 0.00 C ATOM 1028 O GLU A 65 -1.741 -20.533 12.612 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.106 -21.791 13.680 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.178 -20.679 14.756 1.00 0.00 C ATOM 1031 CD GLU A 65 -4.380 -21.201 16.191 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -3.405 -21.670 16.813 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -5.519 -21.131 16.707 1.00 0.00 O ATOM 0 H GLU A 65 -3.177 -23.112 11.651 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.920 -20.751 11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.995 -22.416 13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.247 -22.428 13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.259 -20.094 14.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.996 -20.002 14.509 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.051 -19.183 11.347 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.056 -18.111 11.226 1.00 0.00 C ATOM 1042 C LEU A 66 -2.106 -17.244 12.474 1.00 0.00 C ATOM 1043 O LEU A 66 -3.176 -16.795 12.898 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.254 -17.277 9.934 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.208 -16.113 9.683 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.850 -16.001 8.189 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.715 -14.744 10.206 1.00 0.00 C ATOM 0 H LEU A 66 -3.914 -19.011 10.832 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.065 -18.557 11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.223 -17.955 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.253 -16.841 9.958 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.312 -16.375 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.131 -15.194 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.414 -16.940 7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.751 -15.789 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.963 -13.979 10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.642 -14.480 9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.897 -14.809 11.279 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.932 -17.025 13.050 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.763 -16.298 14.308 1.00 0.00 C ATOM 1061 C LEU A 67 0.039 -15.002 14.078 1.00 0.00 C ATOM 1062 O LEU A 67 -0.160 -14.012 14.785 1.00 0.00 O ATOM 1063 CB LEU A 67 -0.075 -17.252 15.317 1.00 0.00 C ATOM 1064 CG LEU A 67 1.304 -17.867 14.850 1.00 0.00 C ATOM 1065 CD1 LEU A 67 2.498 -17.185 15.530 1.00 0.00 C ATOM 1066 CD2 LEU A 67 1.349 -19.399 15.015 1.00 0.00 C ATOM 0 H LEU A 67 -0.052 -17.352 12.651 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.726 -15.990 14.714 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.087 -16.710 16.249 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.760 -18.070 15.540 1.00 0.00 H new ATOM 0 HG LEU A 67 1.386 -17.665 13.782 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.425 -17.639 15.179 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.499 -16.123 15.284 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.420 -17.307 16.610 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.317 -19.773 14.680 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.204 -19.656 16.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.558 -19.853 14.417 1.00 0.00 H new ATOM 1078 N THR A 68 0.936 -15.026 13.070 1.00 0.00 N ATOM 1079 CA THR A 68 1.803 -13.886 12.710 1.00 0.00 C ATOM 1080 C THR A 68 2.121 -13.936 11.208 1.00 0.00 C ATOM 1081 O THR A 68 2.254 -15.020 10.640 1.00 0.00 O ATOM 1082 CB THR A 68 3.143 -13.909 13.535 1.00 0.00 C ATOM 1083 OG1 THR A 68 2.838 -13.852 14.934 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.105 -12.750 13.179 1.00 0.00 C ATOM 0 H THR A 68 1.079 -15.845 12.479 1.00 0.00 H new ATOM 0 HA THR A 68 1.272 -12.964 12.946 1.00 0.00 H new ATOM 0 HB THR A 68 3.654 -14.837 13.279 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.670 -13.868 15.451 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.008 -12.827 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.370 -12.809 12.123 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.615 -11.797 13.378 1.00 0.00 H new ATOM 1092 N ARG A 69 2.203 -12.756 10.574 1.00 0.00 N ATOM 1093 CA ARG A 69 2.678 -12.608 9.191 1.00 0.00 C ATOM 1094 C ARG A 69 3.485 -11.301 9.066 1.00 0.00 C ATOM 1095 O ARG A 69 3.109 -10.270 9.646 1.00 0.00 O ATOM 1096 CB ARG A 69 1.496 -12.649 8.187 1.00 0.00 C ATOM 1097 CG ARG A 69 0.465 -11.516 8.356 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.685 -11.598 7.342 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.574 -10.421 7.439 1.00 0.00 N ATOM 1100 CZ ARG A 69 -1.521 -9.338 6.644 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -0.615 -9.239 5.675 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -2.380 -8.351 6.819 1.00 0.00 N ATOM 0 H ARG A 69 1.940 -11.872 11.010 1.00 0.00 H new ATOM 0 HA ARG A 69 3.330 -13.446 8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.897 -12.609 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.984 -13.606 8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.056 -11.552 9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.968 -10.555 8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.278 -11.667 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.261 -12.507 7.516 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.286 -10.431 8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.055 -9.993 5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.591 -8.409 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.082 -8.411 7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.341 -7.529 6.217 1.00 0.00 H new ATOM 1116 N VAL A 70 4.625 -11.369 8.359 1.00 0.00 N ATOM 1117 CA VAL A 70 5.468 -10.202 8.048 1.00 0.00 C ATOM 1118 C VAL A 70 5.663 -10.130 6.521 1.00 0.00 C ATOM 1119 O VAL A 70 5.960 -11.138 5.888 1.00 0.00 O ATOM 1120 CB VAL A 70 6.857 -10.232 8.826 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.632 -10.381 10.352 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.815 -11.336 8.317 1.00 0.00 C ATOM 0 H VAL A 70 4.991 -12.244 7.984 1.00 0.00 H new ATOM 0 HA VAL A 70 4.964 -9.299 8.392 1.00 0.00 H new ATOM 0 HB VAL A 70 7.339 -9.276 8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.595 -10.399 10.862 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.044 -9.539 10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.098 -11.310 10.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.743 -11.304 8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.345 -12.312 8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.032 -11.171 7.262 1.00 0.00 H new ATOM 1132 N ILE A 71 5.444 -8.955 5.925 1.00 0.00 N ATOM 1133 CA ILE A 71 5.557 -8.759 4.464 1.00 0.00 C ATOM 1134 C ILE A 71 6.596 -7.663 4.151 1.00 0.00 C ATOM 1135 O ILE A 71 6.630 -6.614 4.806 1.00 0.00 O ATOM 1136 CB ILE A 71 4.163 -8.444 3.788 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.342 -8.136 2.265 1.00 0.00 C ATOM 1138 CG2 ILE A 71 3.406 -7.310 4.520 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.059 -7.894 1.515 1.00 0.00 C ATOM 0 H ILE A 71 5.184 -8.110 6.434 1.00 0.00 H new ATOM 0 HA ILE A 71 5.901 -9.699 4.032 1.00 0.00 H new ATOM 0 HB ILE A 71 3.544 -9.336 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.980 -7.258 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.867 -8.970 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.454 -7.127 4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.224 -7.603 5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.006 -6.400 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.283 -7.689 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.425 -8.778 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.539 -7.040 1.949 1.00 0.00 H new ATOM 1151 N VAL A 72 7.438 -7.940 3.141 1.00 0.00 N ATOM 1152 CA VAL A 72 8.552 -7.084 2.726 1.00 0.00 C ATOM 1153 C VAL A 72 8.688 -7.137 1.178 1.00 0.00 C ATOM 1154 O VAL A 72 9.043 -8.174 0.599 1.00 0.00 O ATOM 1155 CB VAL A 72 9.883 -7.511 3.472 1.00 0.00 C ATOM 1156 CG1 VAL A 72 10.144 -9.040 3.377 1.00 0.00 C ATOM 1157 CG2 VAL A 72 11.100 -6.699 2.974 1.00 0.00 C ATOM 0 H VAL A 72 7.357 -8.788 2.579 1.00 0.00 H new ATOM 0 HA VAL A 72 8.357 -6.049 3.007 1.00 0.00 H new ATOM 0 HB VAL A 72 9.740 -7.278 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.067 -9.285 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.313 -9.580 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.235 -9.329 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.994 -7.019 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.236 -6.866 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.929 -5.638 3.157 1.00 0.00 H new ATOM 1167 N GLY A 73 8.347 -6.009 0.523 1.00 0.00 N ATOM 1168 CA GLY A 73 8.361 -5.902 -0.939 1.00 0.00 C ATOM 1169 C GLY A 73 7.254 -6.730 -1.589 1.00 0.00 C ATOM 1170 O GLY A 73 6.066 -6.518 -1.301 1.00 0.00 O ATOM 0 H GLY A 73 8.056 -5.153 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.247 -4.857 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.329 -6.232 -1.316 1.00 0.00 H new ATOM 1174 N ASN A 74 7.646 -7.699 -2.439 1.00 0.00 N ATOM 1175 CA ASN A 74 6.702 -8.615 -3.117 1.00 0.00 C ATOM 1176 C ASN A 74 6.800 -10.040 -2.538 1.00 0.00 C ATOM 1177 O ASN A 74 6.346 -11.009 -3.151 1.00 0.00 O ATOM 1178 CB ASN A 74 6.928 -8.611 -4.664 1.00 0.00 C ATOM 1179 CG ASN A 74 8.224 -9.284 -5.141 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.250 -9.270 -4.457 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.181 -9.879 -6.328 1.00 0.00 N ATOM 0 H ASN A 74 8.623 -7.870 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 74 5.691 -8.253 -2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.083 -9.110 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.925 -7.578 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.012 -10.341 -6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.317 -9.874 -6.870 1.00 0.00 H new ATOM 1188 N VAL A 75 7.353 -10.141 -1.319 1.00 0.00 N ATOM 1189 CA VAL A 75 7.625 -11.424 -0.636 1.00 0.00 C ATOM 1190 C VAL A 75 6.999 -11.393 0.771 1.00 0.00 C ATOM 1191 O VAL A 75 7.152 -10.403 1.489 1.00 0.00 O ATOM 1192 CB VAL A 75 9.178 -11.680 -0.536 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.499 -13.037 0.143 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.847 -11.586 -1.932 1.00 0.00 C ATOM 0 H VAL A 75 7.629 -9.327 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 75 7.183 -12.237 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 75 9.595 -10.896 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.579 -13.173 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.087 -13.046 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.057 -13.847 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.918 -11.766 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.412 -12.333 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.683 -10.592 -2.348 1.00 0.00 H new ATOM 1204 N VAL A 76 6.289 -12.473 1.157 1.00 0.00 N ATOM 1205 CA VAL A 76 5.606 -12.567 2.465 1.00 0.00 C ATOM 1206 C VAL A 76 6.110 -13.799 3.243 1.00 0.00 C ATOM 1207 O VAL A 76 6.324 -14.846 2.651 1.00 0.00 O ATOM 1208 CB VAL A 76 4.039 -12.681 2.316 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.340 -12.514 3.684 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.479 -11.673 1.290 1.00 0.00 C ATOM 0 H VAL A 76 6.173 -13.302 0.574 1.00 0.00 H new ATOM 0 HA VAL A 76 5.838 -11.649 3.004 1.00 0.00 H new ATOM 0 HB VAL A 76 3.826 -13.681 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.261 -12.597 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.684 -13.292 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.581 -11.535 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.397 -11.788 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.717 -10.658 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.927 -11.860 0.314 1.00 0.00 H new ATOM 1220 N ILE A 77 6.317 -13.632 4.557 1.00 0.00 N ATOM 1221 CA ILE A 77 6.530 -14.719 5.523 1.00 0.00 C ATOM 1222 C ILE A 77 5.238 -14.881 6.336 1.00 0.00 C ATOM 1223 O ILE A 77 4.874 -13.979 7.099 1.00 0.00 O ATOM 1224 CB ILE A 77 7.729 -14.374 6.497 1.00 0.00 C ATOM 1225 CG1 ILE A 77 9.103 -14.459 5.773 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.724 -15.248 7.791 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.641 -15.869 5.639 1.00 0.00 C ATOM 0 H ILE A 77 6.342 -12.709 4.990 1.00 0.00 H new ATOM 0 HA ILE A 77 6.778 -15.640 4.996 1.00 0.00 H new ATOM 0 HB ILE A 77 7.577 -13.341 6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.006 -14.022 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.828 -13.855 6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.568 -14.969 8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.794 -15.086 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.807 -16.300 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.601 -15.845 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.772 -16.304 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.938 -16.474 5.067 1.00 0.00 H new ATOM 1239 N ASP A 78 4.537 -15.993 6.159 1.00 0.00 N ATOM 1240 CA ASP A 78 3.346 -16.326 6.954 1.00 0.00 C ATOM 1241 C ASP A 78 3.707 -17.430 7.931 1.00 0.00 C ATOM 1242 O ASP A 78 4.079 -18.519 7.517 1.00 0.00 O ATOM 1243 CB ASP A 78 2.182 -16.759 6.032 1.00 0.00 C ATOM 1244 CG ASP A 78 1.768 -15.619 5.097 1.00 0.00 C ATOM 1245 OD1 ASP A 78 1.048 -14.694 5.554 1.00 0.00 O ATOM 1246 OD2 ASP A 78 2.208 -15.606 3.927 1.00 0.00 O ATOM 0 H ASP A 78 4.773 -16.697 5.459 1.00 0.00 H new ATOM 0 HA ASP A 78 3.014 -15.448 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.483 -17.626 5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.329 -17.065 6.637 1.00 0.00 H new ATOM 1251 N HIS A 79 3.638 -17.123 9.228 1.00 0.00 N ATOM 1252 CA HIS A 79 3.893 -18.097 10.291 1.00 0.00 C ATOM 1253 C HIS A 79 2.544 -18.598 10.824 1.00 0.00 C ATOM 1254 O HIS A 79 1.803 -17.861 11.489 1.00 0.00 O ATOM 1255 CB HIS A 79 4.752 -17.467 11.417 1.00 0.00 C ATOM 1256 CG HIS A 79 5.021 -18.374 12.604 1.00 0.00 C ATOM 1257 ND1 HIS A 79 4.828 -19.749 12.602 1.00 0.00 N ATOM 1258 CD2 HIS A 79 5.447 -18.072 13.851 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.113 -20.235 13.795 1.00 0.00 C ATOM 1260 NE2 HIS A 79 5.491 -19.243 14.572 1.00 0.00 N ATOM 0 H HIS A 79 3.404 -16.191 9.571 1.00 0.00 H new ATOM 0 HA HIS A 79 4.459 -18.941 9.897 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.707 -17.156 10.993 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.252 -16.566 11.773 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.514 -20.298 11.802 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.706 -17.089 14.215 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.047 -21.273 14.085 1.00 0.00 H new ATOM 1269 N GLU A 80 2.249 -19.861 10.498 1.00 0.00 N ATOM 1270 CA GLU A 80 1.004 -20.557 10.862 1.00 0.00 C ATOM 1271 C GLU A 80 1.315 -21.912 11.535 1.00 0.00 C ATOM 1272 O GLU A 80 2.260 -22.610 11.153 1.00 0.00 O ATOM 1273 CB GLU A 80 0.054 -20.739 9.604 1.00 0.00 C ATOM 1274 CG GLU A 80 0.710 -20.603 8.202 1.00 0.00 C ATOM 1275 CD GLU A 80 1.825 -21.629 7.913 1.00 0.00 C ATOM 1276 OE1 GLU A 80 1.510 -22.818 7.708 1.00 0.00 O ATOM 1277 OE2 GLU A 80 3.018 -21.250 7.894 1.00 0.00 O ATOM 0 H GLU A 80 2.886 -20.446 9.958 1.00 0.00 H new ATOM 0 HA GLU A 80 0.469 -19.938 11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.409 -21.724 9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.748 -20.005 9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.064 -20.704 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.124 -19.599 8.105 1.00 0.00 H new ATOM 1284 N THR A 81 0.530 -22.233 12.576 1.00 0.00 N ATOM 1285 CA THR A 81 0.514 -23.550 13.206 1.00 0.00 C ATOM 1286 C THR A 81 -0.466 -24.464 12.442 1.00 0.00 C ATOM 1287 O THR A 81 -1.693 -24.285 12.515 1.00 0.00 O ATOM 1288 CB THR A 81 0.091 -23.462 14.708 1.00 0.00 C ATOM 1289 OG1 THR A 81 0.901 -22.494 15.390 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.231 -24.814 15.412 1.00 0.00 C ATOM 0 H THR A 81 -0.118 -21.572 13.005 1.00 0.00 H new ATOM 0 HA THR A 81 1.522 -23.962 13.167 1.00 0.00 H new ATOM 0 HB THR A 81 -0.957 -23.163 14.737 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.845 -22.746 15.315 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.072 -24.715 16.454 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.405 -25.549 14.918 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.269 -25.143 15.366 1.00 0.00 H new ATOM 1298 N VAL A 82 0.087 -25.407 11.676 1.00 0.00 N ATOM 1299 CA VAL A 82 -0.685 -26.404 10.925 1.00 0.00 C ATOM 1300 C VAL A 82 -1.073 -27.582 11.837 1.00 0.00 C ATOM 1301 O VAL A 82 -0.229 -28.421 12.172 1.00 0.00 O ATOM 1302 CB VAL A 82 0.123 -26.942 9.690 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.655 -28.047 8.931 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.521 -25.789 8.751 1.00 0.00 C ATOM 0 H VAL A 82 1.096 -25.502 11.557 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.588 -25.913 10.561 1.00 0.00 H new ATOM 0 HB VAL A 82 1.037 -27.399 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.062 -28.393 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.849 -28.883 9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.602 -27.644 8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.079 -26.186 7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.377 -25.287 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.143 -25.076 9.293 1.00 0.00 H new ATOM 1314 N THR A 83 -2.346 -27.614 12.250 1.00 0.00 N ATOM 1315 CA THR A 83 -2.928 -28.755 12.955 1.00 0.00 C ATOM 1316 C THR A 83 -3.036 -29.969 12.015 1.00 0.00 C ATOM 1317 O THR A 83 -3.538 -29.842 10.893 1.00 0.00 O ATOM 1318 CB THR A 83 -4.336 -28.395 13.531 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.255 -27.175 14.291 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.904 -29.513 14.425 1.00 0.00 C ATOM 0 H THR A 83 -3.000 -26.846 12.103 1.00 0.00 H new ATOM 0 HA THR A 83 -2.271 -29.010 13.786 1.00 0.00 H new ATOM 0 HB THR A 83 -5.010 -28.270 12.683 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.140 -26.953 14.648 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.883 -29.216 14.801 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.001 -30.430 13.843 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.230 -29.686 15.264 1.00 0.00 H new ATOM 1328 N ARG A 84 -2.505 -31.118 12.465 1.00 0.00 N ATOM 1329 CA ARG A 84 -2.612 -32.411 11.750 1.00 0.00 C ATOM 1330 C ARG A 84 -2.881 -33.530 12.771 1.00 0.00 C ATOM 1331 O ARG A 84 -3.167 -33.249 13.942 1.00 0.00 O ATOM 1332 CB ARG A 84 -1.313 -32.706 10.942 1.00 0.00 C ATOM 1333 CG ARG A 84 -0.953 -31.651 9.872 1.00 0.00 C ATOM 1334 CD ARG A 84 0.198 -32.091 8.962 1.00 0.00 C ATOM 1335 NE ARG A 84 -0.142 -33.336 8.246 1.00 0.00 N ATOM 1336 CZ ARG A 84 0.677 -34.370 8.042 1.00 0.00 C ATOM 1337 NH1 ARG A 84 1.927 -34.346 8.477 1.00 0.00 N ATOM 1338 NH2 ARG A 84 0.221 -35.424 7.400 1.00 0.00 N ATOM 0 H ARG A 84 -1.985 -31.181 13.340 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.438 -32.361 11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.481 -32.791 11.641 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.420 -33.675 10.454 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.833 -31.445 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.682 -30.718 10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.420 -31.302 8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.099 -32.243 9.556 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.088 -33.413 7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.278 -33.529 8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.540 -35.145 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.743 -35.441 7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.832 -36.224 7.234 1.00 0.00 H new ATOM 1352 N ASN A 85 -2.807 -34.805 12.324 1.00 0.00 N ATOM 1353 CA ASN A 85 -3.020 -35.977 13.201 1.00 0.00 C ATOM 1354 C ASN A 85 -1.762 -36.858 13.243 1.00 0.00 C ATOM 1355 O ASN A 85 -1.499 -37.620 12.307 1.00 0.00 O ATOM 1356 CB ASN A 85 -4.232 -36.816 12.723 1.00 0.00 C ATOM 1357 CG ASN A 85 -4.699 -37.860 13.747 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -5.060 -38.984 13.396 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -4.751 -37.477 15.018 1.00 0.00 N ATOM 0 H ASN A 85 -2.600 -35.048 11.355 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.228 -35.607 14.205 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.061 -36.145 12.497 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.969 -37.322 11.794 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.096 -38.120 15.731 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.446 -36.540 15.281 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.975 -36.723 14.315 1.00 0.00 N ATOM 1367 CA PHE A 86 0.215 -37.555 14.566 1.00 0.00 C ATOM 1368 C PHE A 86 -0.130 -38.659 15.584 1.00 0.00 C ATOM 1369 O PHE A 86 -0.887 -38.397 16.517 1.00 0.00 O ATOM 1370 CB PHE A 86 1.382 -36.677 15.099 1.00 0.00 C ATOM 1371 CG PHE A 86 2.028 -35.713 14.099 1.00 0.00 C ATOM 1372 CD1 PHE A 86 1.619 -35.634 12.761 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.045 -34.857 14.519 1.00 0.00 C ATOM 1374 CE1 PHE A 86 2.211 -34.744 11.889 1.00 0.00 C ATOM 1375 CE2 PHE A 86 3.629 -33.967 13.641 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.213 -33.907 12.334 1.00 0.00 C ATOM 0 H PHE A 86 -1.144 -36.028 15.042 1.00 0.00 H new ATOM 0 HA PHE A 86 0.530 -38.018 13.631 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.012 -36.095 15.943 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.158 -37.339 15.484 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.829 -36.279 12.407 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.380 -34.891 15.545 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.890 -34.703 10.859 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.418 -33.314 13.984 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.671 -33.204 11.654 1.00 0.00 H new ATOM 1386 N PRO A 87 0.419 -39.909 15.429 1.00 0.00 N ATOM 1387 CA PRO A 87 0.203 -41.013 16.399 1.00 0.00 C ATOM 1388 C PRO A 87 0.679 -40.688 17.846 1.00 0.00 C ATOM 1389 O PRO A 87 0.176 -41.282 18.801 1.00 0.00 O ATOM 1390 CB PRO A 87 0.996 -42.208 15.785 1.00 0.00 C ATOM 1391 CG PRO A 87 1.954 -41.582 14.817 1.00 0.00 C ATOM 1392 CD PRO A 87 1.233 -40.372 14.269 1.00 0.00 C ATOM 0 HA PRO A 87 -0.859 -41.219 16.529 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.524 -42.769 16.556 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.328 -42.908 15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.882 -41.296 15.311 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.218 -42.277 14.020 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.931 -39.604 13.934 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.607 -40.629 13.414 1.00 0.00 H new ATOM 1400 N GLU A 88 1.623 -39.727 17.998 1.00 0.00 N ATOM 1401 CA GLU A 88 2.203 -39.353 19.322 1.00 0.00 C ATOM 1402 C GLU A 88 1.370 -38.288 20.066 1.00 0.00 C ATOM 1403 O GLU A 88 1.697 -37.946 21.209 1.00 0.00 O ATOM 1404 CB GLU A 88 3.693 -38.882 19.197 1.00 0.00 C ATOM 1405 CG GLU A 88 3.967 -37.756 18.153 1.00 0.00 C ATOM 1406 CD GLU A 88 4.445 -38.288 16.786 1.00 0.00 C ATOM 1407 OE1 GLU A 88 3.645 -38.895 16.060 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.635 -38.133 16.446 1.00 0.00 O ATOM 0 H GLU A 88 2.004 -39.191 17.218 1.00 0.00 H new ATOM 0 HA GLU A 88 2.176 -40.265 19.919 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.027 -38.533 20.174 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.306 -39.746 18.940 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.056 -37.175 18.010 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.719 -37.076 18.553 1.00 0.00 H new ATOM 1415 N GLY A 89 0.315 -37.757 19.426 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.602 -36.818 20.096 1.00 0.00 C ATOM 1417 C GLY A 89 -1.432 -36.032 19.099 1.00 0.00 C ATOM 1418 O GLY A 89 -2.000 -36.622 18.186 1.00 0.00 O ATOM 0 H GLY A 89 0.077 -37.959 18.455 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.263 -37.370 20.764 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.028 -36.128 20.714 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.538 -34.700 19.305 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.169 -33.780 18.357 1.00 0.00 C ATOM 1424 C LYS A 90 -1.586 -33.898 16.928 1.00 0.00 C ATOM 1425 O LYS A 90 -2.101 -34.662 16.114 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.044 -32.321 18.874 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.730 -31.274 17.979 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.243 -31.511 17.845 1.00 0.00 C ATOM 1429 CE LYS A 90 -4.956 -31.385 19.200 1.00 0.00 C ATOM 1430 NZ LYS A 90 -5.126 -29.966 19.608 1.00 0.00 N ATOM 0 H LYS A 90 -1.183 -34.239 20.143 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.221 -34.058 18.289 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.472 -32.264 19.875 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.987 -32.069 18.965 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.557 -30.280 18.391 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.274 -31.293 16.989 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.664 -30.791 17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.421 -32.503 17.430 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.933 -31.865 19.142 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.384 -31.916 19.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.305 -29.918 20.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.261 -29.434 19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.931 -29.552 19.096 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.501 -33.152 16.645 1.00 0.00 N ATOM 1445 CA GLY A 91 0.079 -33.091 15.304 1.00 0.00 C ATOM 1446 C GLY A 91 0.195 -31.679 14.750 1.00 0.00 C ATOM 1447 O GLY A 91 0.223 -31.492 13.531 1.00 0.00 O ATOM 0 H GLY A 91 -0.012 -32.583 17.336 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.069 -33.546 15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.531 -33.688 14.627 1.00 0.00 H new ATOM 1451 N GLU A 92 0.305 -30.680 15.640 1.00 0.00 N ATOM 1452 CA GLU A 92 0.406 -29.267 15.229 1.00 0.00 C ATOM 1453 C GLU A 92 1.877 -28.885 15.027 1.00 0.00 C ATOM 1454 O GLU A 92 2.664 -28.906 15.970 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.236 -28.326 16.279 1.00 0.00 C ATOM 1456 CG GLU A 92 -1.767 -28.364 16.354 1.00 0.00 C ATOM 1457 CD GLU A 92 -2.365 -27.446 17.432 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -2.191 -26.216 17.332 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -3.013 -27.947 18.383 1.00 0.00 O ATOM 0 H GLU A 92 0.326 -30.823 16.650 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.136 -29.152 14.291 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.164 -28.579 17.261 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.074 -27.304 16.062 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.175 -28.081 15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.085 -29.388 16.547 1.00 0.00 H new ATOM 1466 N VAL A 93 2.236 -28.555 13.779 1.00 0.00 N ATOM 1467 CA VAL A 93 3.599 -28.151 13.409 1.00 0.00 C ATOM 1468 C VAL A 93 3.622 -26.652 13.087 1.00 0.00 C ATOM 1469 O VAL A 93 2.777 -26.155 12.337 1.00 0.00 O ATOM 1470 CB VAL A 93 4.139 -29.003 12.193 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.374 -30.464 12.615 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.187 -28.945 10.968 1.00 0.00 C ATOM 0 H VAL A 93 1.585 -28.561 12.994 1.00 0.00 H new ATOM 0 HA VAL A 93 4.262 -28.340 14.253 1.00 0.00 H new ATOM 0 HB VAL A 93 5.089 -28.562 11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.746 -31.033 11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.107 -30.496 13.421 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.436 -30.898 12.960 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.600 -29.545 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.209 -29.337 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.082 -27.912 10.637 1.00 0.00 H new ATOM 1482 N ASP A 94 4.570 -25.927 13.691 1.00 0.00 N ATOM 1483 CA ASP A 94 4.744 -24.487 13.454 1.00 0.00 C ATOM 1484 C ASP A 94 5.626 -24.277 12.216 1.00 0.00 C ATOM 1485 O ASP A 94 6.829 -24.532 12.243 1.00 0.00 O ATOM 1486 CB ASP A 94 5.325 -23.803 14.717 1.00 0.00 C ATOM 1487 CG ASP A 94 4.267 -23.638 15.825 1.00 0.00 C ATOM 1488 OD1 ASP A 94 3.804 -24.657 16.387 1.00 0.00 O ATOM 1489 OD2 ASP A 94 3.871 -22.490 16.124 1.00 0.00 O ATOM 0 H ASP A 94 5.237 -26.319 14.356 1.00 0.00 H new ATOM 0 HA ASP A 94 3.779 -24.021 13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.159 -24.393 15.097 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.723 -22.825 14.448 1.00 0.00 H new ATOM 1494 N VAL A 95 4.992 -23.808 11.132 1.00 0.00 N ATOM 1495 CA VAL A 95 5.586 -23.686 9.790 1.00 0.00 C ATOM 1496 C VAL A 95 5.707 -22.186 9.427 1.00 0.00 C ATOM 1497 O VAL A 95 5.101 -21.323 10.083 1.00 0.00 O ATOM 1498 CB VAL A 95 4.671 -24.448 8.742 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.272 -24.507 7.319 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.313 -25.865 9.243 1.00 0.00 C ATOM 0 H VAL A 95 4.022 -23.493 11.164 1.00 0.00 H new ATOM 0 HA VAL A 95 6.580 -24.133 9.772 1.00 0.00 H new ATOM 0 HB VAL A 95 3.758 -23.857 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.591 -25.043 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.420 -23.494 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.230 -25.026 7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.685 -26.364 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.227 -26.440 9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.774 -25.792 10.187 1.00 0.00 H new ATOM 1510 N ALA A 96 6.540 -21.886 8.423 1.00 0.00 N ATOM 1511 CA ALA A 96 6.691 -20.555 7.841 1.00 0.00 C ATOM 1512 C ALA A 96 6.580 -20.688 6.316 1.00 0.00 C ATOM 1513 O ALA A 96 7.523 -21.149 5.662 1.00 0.00 O ATOM 1514 CB ALA A 96 8.043 -19.940 8.257 1.00 0.00 C ATOM 0 H ALA A 96 7.141 -22.583 7.984 1.00 0.00 H new ATOM 0 HA ALA A 96 5.910 -19.887 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.142 -18.948 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.088 -19.861 9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.855 -20.576 7.906 1.00 0.00 H new ATOM 1520 N CYS A 97 5.420 -20.320 5.762 1.00 0.00 N ATOM 1521 CA CYS A 97 5.166 -20.377 4.321 1.00 0.00 C ATOM 1522 C CYS A 97 5.505 -19.016 3.710 1.00 0.00 C ATOM 1523 O CYS A 97 4.808 -18.023 3.929 1.00 0.00 O ATOM 1524 CB CYS A 97 3.694 -20.759 4.061 1.00 0.00 C ATOM 1525 SG CYS A 97 3.258 -22.414 4.644 1.00 0.00 S ATOM 0 H CYS A 97 4.629 -19.973 6.304 1.00 0.00 H new ATOM 0 HA CYS A 97 5.791 -21.139 3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.047 -20.030 4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.495 -20.696 2.991 1.00 0.00 H new ATOM 0 HG CYS A 97 2.006 -22.649 4.387 1.00 0.00 H new ATOM 1531 N ILE A 98 6.620 -18.994 2.970 1.00 0.00 N ATOM 1532 CA ILE A 98 7.178 -17.785 2.357 1.00 0.00 C ATOM 1533 C ILE A 98 6.849 -17.753 0.849 1.00 0.00 C ATOM 1534 O ILE A 98 7.343 -18.568 0.068 1.00 0.00 O ATOM 1535 CB ILE A 98 8.735 -17.665 2.623 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.364 -16.467 1.825 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.488 -18.995 2.366 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.864 -16.281 2.016 1.00 0.00 C ATOM 0 H ILE A 98 7.169 -19.832 2.778 1.00 0.00 H new ATOM 0 HA ILE A 98 6.714 -16.916 2.823 1.00 0.00 H new ATOM 0 HB ILE A 98 8.857 -17.449 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.164 -16.613 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.859 -15.548 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.551 -18.855 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.095 -19.769 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.349 -19.297 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.203 -15.430 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.077 -16.099 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.387 -17.180 1.690 1.00 0.00 H new ATOM 1550 N TYR A 99 5.977 -16.809 0.461 1.00 0.00 N ATOM 1551 CA TYR A 99 5.513 -16.649 -0.927 1.00 0.00 C ATOM 1552 C TYR A 99 6.265 -15.505 -1.619 1.00 0.00 C ATOM 1553 O TYR A 99 6.751 -14.582 -0.967 1.00 0.00 O ATOM 1554 CB TYR A 99 3.988 -16.366 -0.969 1.00 0.00 C ATOM 1555 CG TYR A 99 3.141 -17.395 -0.210 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.906 -18.663 -0.736 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.562 -17.088 1.019 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.137 -19.593 -0.062 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.793 -18.013 1.700 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.576 -19.262 1.154 1.00 0.00 C ATOM 1561 OH TYR A 99 0.799 -20.182 1.826 1.00 0.00 O ATOM 0 H TYR A 99 5.571 -16.131 1.106 1.00 0.00 H new ATOM 0 HA TYR A 99 5.715 -17.581 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.801 -15.377 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.662 -16.339 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.334 -18.926 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.717 -16.109 1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.976 -20.574 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.363 -17.759 2.657 1.00 0.00 H new ATOM 0 HH TYR A 99 0.482 -19.790 2.666 1.00 0.00 H new ATOM 1571 N GLU A 100 6.353 -15.599 -2.946 1.00 0.00 N ATOM 1572 CA GLU A 100 6.865 -14.555 -3.835 1.00 0.00 C ATOM 1573 C GLU A 100 5.800 -14.300 -4.906 1.00 0.00 C ATOM 1574 O GLU A 100 5.461 -15.202 -5.675 1.00 0.00 O ATOM 1575 CB GLU A 100 8.197 -15.011 -4.475 1.00 0.00 C ATOM 1576 CG GLU A 100 8.795 -14.025 -5.495 1.00 0.00 C ATOM 1577 CD GLU A 100 10.110 -14.534 -6.123 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.061 -15.310 -7.100 1.00 0.00 O ATOM 1579 OE2 GLU A 100 11.199 -14.169 -5.628 1.00 0.00 O ATOM 0 H GLU A 100 6.059 -16.435 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 100 7.066 -13.637 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.926 -15.178 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.037 -15.970 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.067 -13.842 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.979 -13.069 -5.004 1.00 0.00 H new ATOM 1586 N VAL A 101 5.271 -13.077 -4.931 1.00 0.00 N ATOM 1587 CA VAL A 101 4.140 -12.682 -5.782 1.00 0.00 C ATOM 1588 C VAL A 101 4.621 -11.745 -6.908 1.00 0.00 C ATOM 1589 O VAL A 101 5.240 -10.712 -6.647 1.00 0.00 O ATOM 1590 CB VAL A 101 3.031 -11.979 -4.920 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.838 -11.490 -5.788 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.549 -12.916 -3.778 1.00 0.00 C ATOM 0 H VAL A 101 5.621 -12.315 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 101 3.713 -13.577 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 101 3.479 -11.092 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.096 -11.010 -5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.196 -10.775 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.384 -12.341 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.781 -12.411 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.136 -13.829 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.391 -13.166 -3.133 1.00 0.00 H new ATOM 1602 N GLU A 102 4.335 -12.132 -8.157 1.00 0.00 N ATOM 1603 CA GLU A 102 4.622 -11.329 -9.352 1.00 0.00 C ATOM 1604 C GLU A 102 3.364 -11.274 -10.248 1.00 0.00 C ATOM 1605 O GLU A 102 2.716 -12.304 -10.468 1.00 0.00 O ATOM 1606 CB GLU A 102 5.825 -11.936 -10.117 1.00 0.00 C ATOM 1607 CG GLU A 102 6.282 -11.151 -11.364 1.00 0.00 C ATOM 1608 CD GLU A 102 6.737 -9.715 -11.054 1.00 0.00 C ATOM 1609 OE1 GLU A 102 7.924 -9.522 -10.716 1.00 0.00 O ATOM 1610 OE2 GLU A 102 5.909 -8.773 -11.135 1.00 0.00 O ATOM 0 H GLU A 102 3.891 -13.025 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 102 4.884 -10.312 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.668 -12.016 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.565 -12.950 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.102 -11.688 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.463 -11.117 -12.082 1.00 0.00 H new ATOM 1617 N ASN A 103 3.043 -10.064 -10.758 1.00 0.00 N ATOM 1618 CA ASN A 103 1.836 -9.785 -11.587 1.00 0.00 C ATOM 1619 C ASN A 103 0.513 -10.041 -10.815 1.00 0.00 C ATOM 1620 O ASN A 103 -0.523 -10.351 -11.420 1.00 0.00 O ATOM 1621 CB ASN A 103 1.859 -10.591 -12.927 1.00 0.00 C ATOM 1622 CG ASN A 103 3.010 -10.199 -13.861 1.00 0.00 C ATOM 1623 OD1 ASN A 103 2.899 -9.252 -14.639 1.00 0.00 O ATOM 1624 ND2 ASN A 103 4.113 -10.931 -13.803 1.00 0.00 N ATOM 0 H ASN A 103 3.621 -9.237 -10.606 1.00 0.00 H new ATOM 0 HA ASN A 103 1.870 -8.722 -11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.933 -11.655 -12.700 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.913 -10.441 -13.447 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.901 -10.716 -14.414 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.174 -11.710 -13.147 1.00 0.00 H new ATOM 1631 N GLY A 104 0.556 -9.848 -9.477 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.618 -10.053 -8.602 1.00 0.00 C ATOM 1633 C GLY A 104 -0.960 -11.528 -8.359 1.00 0.00 C ATOM 1634 O GLY A 104 -1.999 -11.851 -7.764 1.00 0.00 O ATOM 0 H GLY A 104 1.395 -9.549 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.433 -9.570 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.481 -9.558 -9.047 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.075 -12.418 -8.823 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.194 -13.879 -8.683 1.00 0.00 C ATOM 1640 C ARG A 105 1.101 -14.405 -8.067 1.00 0.00 C ATOM 1641 O ARG A 105 2.152 -13.831 -8.302 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.419 -14.542 -10.074 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.758 -14.198 -10.760 1.00 0.00 C ATOM 1644 CD ARG A 105 -2.972 -14.714 -9.977 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.238 -14.254 -10.560 1.00 0.00 N ATOM 1646 CZ ARG A 105 -4.945 -13.197 -10.133 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.534 -12.470 -9.093 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.051 -12.856 -10.764 1.00 0.00 N ATOM 0 H ARG A 105 0.769 -12.136 -9.321 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.046 -14.120 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.396 -14.246 -10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.357 -15.624 -9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.836 -13.117 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.769 -14.625 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.956 -15.804 -9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.906 -14.378 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.609 -14.779 -11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.670 -12.715 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.084 -11.669 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.364 -13.395 -11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.594 -12.053 -10.445 1.00 0.00 H new ATOM 1662 N ILE A 106 1.034 -15.479 -7.276 1.00 0.00 N ATOM 1663 CA ILE A 106 2.239 -16.078 -6.677 1.00 0.00 C ATOM 1664 C ILE A 106 3.089 -16.737 -7.773 1.00 0.00 C ATOM 1665 O ILE A 106 2.649 -17.689 -8.407 1.00 0.00 O ATOM 1666 CB ILE A 106 1.885 -17.118 -5.555 1.00 0.00 C ATOM 1667 CG1 ILE A 106 1.049 -16.432 -4.433 1.00 0.00 C ATOM 1668 CG2 ILE A 106 3.165 -17.779 -4.973 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.698 -17.335 -3.273 1.00 0.00 C ATOM 0 H ILE A 106 0.164 -15.953 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 106 2.810 -15.279 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 106 1.284 -17.911 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.606 -15.575 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.127 -16.046 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.886 -18.494 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.701 -18.297 -5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.808 -17.011 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.117 -16.776 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.111 -18.180 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.613 -17.701 -2.807 1.00 0.00 H new ATOM 1681 N ALA A 107 4.283 -16.177 -8.007 1.00 0.00 N ATOM 1682 CA ALA A 107 5.239 -16.679 -9.009 1.00 0.00 C ATOM 1683 C ALA A 107 5.987 -17.914 -8.489 1.00 0.00 C ATOM 1684 O ALA A 107 6.299 -18.831 -9.255 1.00 0.00 O ATOM 1685 CB ALA A 107 6.235 -15.568 -9.381 1.00 0.00 C ATOM 0 H ALA A 107 4.618 -15.356 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 107 4.683 -16.975 -9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.940 -15.944 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.693 -14.717 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.779 -15.254 -8.490 1.00 0.00 H new ATOM 1691 N LYS A 108 6.294 -17.907 -7.180 1.00 0.00 N ATOM 1692 CA LYS A 108 7.021 -18.997 -6.494 1.00 0.00 C ATOM 1693 C LYS A 108 6.572 -19.041 -5.034 1.00 0.00 C ATOM 1694 O LYS A 108 6.536 -18.011 -4.377 1.00 0.00 O ATOM 1695 CB LYS A 108 8.564 -18.783 -6.540 1.00 0.00 C ATOM 1696 CG LYS A 108 9.207 -18.867 -7.944 1.00 0.00 C ATOM 1697 CD LYS A 108 10.723 -18.595 -7.939 1.00 0.00 C ATOM 1698 CE LYS A 108 11.522 -19.693 -7.217 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.982 -19.446 -7.262 1.00 0.00 N ATOM 0 H LYS A 108 6.043 -17.137 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 108 6.795 -19.933 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.790 -17.806 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.036 -19.527 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.024 -19.858 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.719 -18.149 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.076 -18.511 -8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.914 -17.636 -7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.197 -19.752 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.305 -20.658 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.479 -20.211 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.299 -19.415 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.195 -18.538 -6.802 1.00 0.00 H new ATOM 1713 N ALA A 109 6.251 -20.231 -4.532 1.00 0.00 N ATOM 1714 CA ALA A 109 5.814 -20.431 -3.144 1.00 0.00 C ATOM 1715 C ALA A 109 6.713 -21.464 -2.486 1.00 0.00 C ATOM 1716 O ALA A 109 6.971 -22.524 -3.052 1.00 0.00 O ATOM 1717 CB ALA A 109 4.359 -20.894 -3.111 1.00 0.00 C ATOM 0 H ALA A 109 6.286 -21.092 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 109 5.885 -19.490 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.047 -21.039 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.726 -20.140 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.264 -21.834 -3.654 1.00 0.00 H new ATOM 1723 N TRP A 110 7.179 -21.144 -1.285 1.00 0.00 N ATOM 1724 CA TRP A 110 8.124 -21.966 -0.526 1.00 0.00 C ATOM 1725 C TRP A 110 7.563 -22.121 0.892 1.00 0.00 C ATOM 1726 O TRP A 110 6.805 -21.261 1.347 1.00 0.00 O ATOM 1727 CB TRP A 110 9.534 -21.289 -0.500 1.00 0.00 C ATOM 1728 CG TRP A 110 9.968 -20.647 -1.810 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.089 -21.258 -3.018 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.329 -19.272 -2.031 1.00 0.00 C ATOM 1731 NE1 TRP A 110 10.498 -20.369 -3.967 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.659 -19.141 -3.388 1.00 0.00 C ATOM 1733 CE3 TRP A 110 10.414 -18.145 -1.216 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.061 -17.935 -3.948 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 10.811 -16.942 -1.770 1.00 0.00 C ATOM 1736 CH2 TRP A 110 11.132 -16.847 -3.126 1.00 0.00 C ATOM 0 H TRP A 110 6.907 -20.290 -0.798 1.00 0.00 H new ATOM 0 HA TRP A 110 8.244 -22.945 -0.990 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.539 -20.527 0.279 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.274 -22.038 -0.218 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.889 -22.303 -3.201 1.00 0.00 H new ATOM 0 HE1 TRP A 110 10.658 -20.585 -4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 110 10.173 -18.210 -0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.309 -17.861 -4.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 10.874 -16.063 -1.145 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.442 -15.895 -3.532 1.00 0.00 H new ATOM 1747 N PHE A 111 7.896 -23.219 1.581 1.00 0.00 N ATOM 1748 CA PHE A 111 7.500 -23.403 2.988 1.00 0.00 C ATOM 1749 C PHE A 111 8.606 -24.134 3.758 1.00 0.00 C ATOM 1750 O PHE A 111 9.317 -24.980 3.197 1.00 0.00 O ATOM 1751 CB PHE A 111 6.129 -24.135 3.115 1.00 0.00 C ATOM 1752 CG PHE A 111 6.169 -25.648 2.896 1.00 0.00 C ATOM 1753 CD1 PHE A 111 6.183 -26.198 1.615 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.177 -26.522 3.987 1.00 0.00 C ATOM 1755 CE1 PHE A 111 6.222 -27.569 1.435 1.00 0.00 C ATOM 1756 CE2 PHE A 111 6.218 -27.884 3.808 1.00 0.00 C ATOM 1757 CZ PHE A 111 6.230 -28.413 2.532 1.00 0.00 C ATOM 0 H PHE A 111 8.436 -23.992 1.192 1.00 0.00 H new ATOM 0 HA PHE A 111 7.367 -22.417 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.723 -23.939 4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.436 -23.699 2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.163 -25.547 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.150 -26.120 4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.246 -27.981 0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.241 -28.541 4.665 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.246 -29.484 2.391 1.00 0.00 H new ATOM 1767 N LYS A 112 8.739 -23.790 5.044 1.00 0.00 N ATOM 1768 CA LYS A 112 9.689 -24.418 5.965 1.00 0.00 C ATOM 1769 C LYS A 112 8.946 -24.849 7.233 1.00 0.00 C ATOM 1770 O LYS A 112 8.437 -23.999 7.960 1.00 0.00 O ATOM 1771 CB LYS A 112 10.826 -23.426 6.339 1.00 0.00 C ATOM 1772 CG LYS A 112 11.910 -24.031 7.264 1.00 0.00 C ATOM 1773 CD LYS A 112 12.850 -22.975 7.893 1.00 0.00 C ATOM 1774 CE LYS A 112 12.130 -22.053 8.897 1.00 0.00 C ATOM 1775 NZ LYS A 112 13.076 -21.133 9.584 1.00 0.00 N ATOM 0 H LYS A 112 8.180 -23.056 5.479 1.00 0.00 H new ATOM 0 HA LYS A 112 10.134 -25.286 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.300 -23.071 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.389 -22.556 6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.423 -24.592 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.507 -24.742 6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.672 -23.482 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.289 -22.369 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.372 -21.470 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.611 -22.660 9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.552 -20.530 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.785 -21.689 10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.553 -20.536 8.879 1.00 0.00 H new ATOM 1789 N ILE A 113 8.923 -26.158 7.523 1.00 0.00 N ATOM 1790 CA ILE A 113 8.291 -26.683 8.742 1.00 0.00 C ATOM 1791 C ILE A 113 9.322 -26.642 9.867 1.00 0.00 C ATOM 1792 O ILE A 113 10.478 -27.031 9.670 1.00 0.00 O ATOM 1793 CB ILE A 113 7.755 -28.156 8.546 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.558 -28.176 7.544 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.341 -28.816 9.899 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.094 -29.568 7.133 1.00 0.00 C ATOM 0 H ILE A 113 9.337 -26.875 6.927 1.00 0.00 H new ATOM 0 HA ILE A 113 7.427 -26.065 8.986 1.00 0.00 H new ATOM 0 HB ILE A 113 8.575 -28.744 8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.718 -27.646 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.842 -27.624 6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.979 -29.827 9.715 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.204 -28.855 10.564 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.551 -28.227 10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.260 -29.483 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.916 -30.098 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.774 -30.120 8.016 1.00 0.00 H new ATOM 1808 N GLY A 114 8.900 -26.124 11.027 1.00 0.00 N ATOM 1809 CA GLY A 114 9.756 -26.078 12.214 1.00 0.00 C ATOM 1810 C GLY A 114 10.104 -27.474 12.724 1.00 0.00 C ATOM 1811 O GLY A 114 11.152 -28.029 12.376 1.00 0.00 O ATOM 0 H GLY A 114 7.969 -25.731 11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.674 -25.539 11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.252 -25.519 13.003 1.00 0.00 H new ATOM 1815 N GLU A 115 9.196 -28.055 13.509 1.00 0.00 N ATOM 1816 CA GLU A 115 9.324 -29.431 14.020 1.00 0.00 C ATOM 1817 C GLU A 115 7.926 -29.970 14.405 1.00 0.00 C ATOM 1818 O GLU A 115 6.968 -29.183 14.496 1.00 0.00 O ATOM 1819 CB GLU A 115 10.295 -29.486 15.253 1.00 0.00 C ATOM 1820 CG GLU A 115 9.712 -28.954 16.588 1.00 0.00 C ATOM 1821 CD GLU A 115 9.619 -27.416 16.658 1.00 0.00 C ATOM 1822 OE1 GLU A 115 8.700 -26.826 16.050 1.00 0.00 O ATOM 1823 OE2 GLU A 115 10.476 -26.784 17.319 1.00 0.00 O ATOM 0 H GLU A 115 8.343 -27.585 13.813 1.00 0.00 H new ATOM 0 HA GLU A 115 9.748 -30.059 13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.609 -30.519 15.400 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.190 -28.912 15.014 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.717 -29.376 16.733 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.332 -29.309 17.411 1.00 0.00 H new ATOM 1830 N PRO A 116 7.781 -31.315 14.631 1.00 0.00 N ATOM 1831 CA PRO A 116 6.558 -31.895 15.244 1.00 0.00 C ATOM 1832 C PRO A 116 6.349 -31.457 16.717 1.00 0.00 C ATOM 1833 O PRO A 116 7.125 -31.832 17.611 1.00 0.00 O ATOM 1834 CB PRO A 116 6.798 -33.422 15.118 1.00 0.00 C ATOM 1835 CG PRO A 116 8.281 -33.570 15.058 1.00 0.00 C ATOM 1836 CD PRO A 116 8.752 -32.388 14.252 1.00 0.00 C ATOM 0 HA PRO A 116 5.646 -31.558 14.751 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.381 -33.960 15.969 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.324 -33.825 14.223 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.720 -33.569 16.056 1.00 0.00 H new ATOM 0 HG3 PRO A 116 8.566 -34.510 14.586 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.777 -32.112 14.501 1.00 0.00 H new ATOM 0 HD3 PRO A 116 8.729 -32.594 13.182 1.00 0.00 H new ATOM 1844 N ARG A 117 5.313 -30.623 16.947 1.00 0.00 N ATOM 1845 CA ARG A 117 4.879 -30.203 18.295 1.00 0.00 C ATOM 1846 C ARG A 117 3.526 -30.849 18.644 1.00 0.00 C ATOM 1847 O ARG A 117 2.702 -31.130 17.762 1.00 0.00 O ATOM 1848 CB ARG A 117 4.767 -28.655 18.392 1.00 0.00 C ATOM 1849 CG ARG A 117 6.103 -27.901 18.224 1.00 0.00 C ATOM 1850 CD ARG A 117 5.935 -26.375 18.326 1.00 0.00 C ATOM 1851 NE ARG A 117 7.222 -25.668 18.219 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.387 -24.339 18.163 1.00 0.00 C ATOM 1853 NH1 ARG A 117 6.349 -23.509 18.247 1.00 0.00 N ATOM 1854 NH2 ARG A 117 8.609 -23.851 18.015 1.00 0.00 N ATOM 0 H ARG A 117 4.751 -30.220 16.197 1.00 0.00 H new ATOM 0 HA ARG A 117 5.632 -30.537 19.009 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.070 -28.306 17.630 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.338 -28.395 19.360 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.805 -28.238 18.987 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.539 -28.152 17.257 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.266 -26.031 17.537 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.463 -26.125 19.276 1.00 0.00 H new ATOM 0 HE ARG A 117 8.065 -26.242 18.184 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.406 -23.881 18.356 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.497 -22.501 18.202 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.406 -24.484 17.946 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.753 -22.842 17.970 1.00 0.00 H new ATOM 1868 N ILE A 118 3.322 -31.088 19.946 1.00 0.00 N ATOM 1869 CA ILE A 118 2.080 -31.649 20.506 1.00 0.00 C ATOM 1870 C ILE A 118 1.565 -30.678 21.589 1.00 0.00 C ATOM 1871 O ILE A 118 2.353 -29.911 22.151 1.00 0.00 O ATOM 1872 CB ILE A 118 2.345 -33.095 21.107 1.00 0.00 C ATOM 1873 CG1 ILE A 118 2.910 -34.065 20.016 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.079 -33.693 21.759 1.00 0.00 C ATOM 1875 CD1 ILE A 118 1.991 -34.274 18.823 1.00 0.00 C ATOM 0 H ILE A 118 4.028 -30.894 20.656 1.00 0.00 H new ATOM 0 HA ILE A 118 1.327 -31.760 19.726 1.00 0.00 H new ATOM 0 HB ILE A 118 3.095 -32.980 21.890 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.864 -33.676 19.660 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.112 -35.032 20.477 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.307 -34.682 22.156 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.746 -33.044 22.569 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.289 -33.775 21.012 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.461 -34.959 18.117 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.045 -34.695 19.162 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.808 -33.318 18.333 1.00 0.00 H new ATOM 1887 N VAL A 119 0.250 -30.688 21.866 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.351 -29.802 22.898 1.00 0.00 C ATOM 1889 C VAL A 119 0.067 -30.268 24.307 1.00 0.00 C ATOM 1890 O VAL A 119 0.541 -29.463 25.112 1.00 0.00 O ATOM 1891 CB VAL A 119 -1.920 -29.722 22.791 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -2.516 -28.718 23.815 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -2.359 -29.374 21.349 1.00 0.00 C ATOM 0 H VAL A 119 -0.422 -31.295 21.396 1.00 0.00 H new ATOM 0 HA VAL A 119 0.030 -28.797 22.718 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.315 -30.708 23.037 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.601 -28.691 23.710 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.257 -29.033 24.826 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.109 -27.724 23.629 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.447 -29.325 21.302 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.939 -28.409 21.064 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.001 -30.142 20.664 1.00 0.00 H new ATOM 1903 N SER A 120 -0.049 -31.588 24.555 1.00 0.00 N ATOM 1904 CA SER A 120 0.295 -32.206 25.859 1.00 0.00 C ATOM 1905 C SER A 120 1.822 -32.156 26.135 1.00 0.00 C ATOM 1906 O SER A 120 2.261 -32.367 27.272 1.00 0.00 O ATOM 1907 CB SER A 120 -0.236 -33.661 25.904 1.00 0.00 C ATOM 1908 OG SER A 120 -0.078 -34.255 27.186 1.00 0.00 O ATOM 0 H SER A 120 -0.383 -32.257 23.861 1.00 0.00 H new ATOM 0 HA SER A 120 -0.186 -31.630 26.649 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.291 -33.669 25.630 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.290 -34.260 25.161 1.00 0.00 H new ATOM 0 HG SER A 120 0.682 -33.842 27.646 1.00 0.00 H new ATOM 1914 N GLN A 121 2.612 -31.901 25.067 1.00 0.00 N ATOM 1915 CA GLN A 121 4.059 -31.610 25.162 1.00 0.00 C ATOM 1916 C GLN A 121 4.298 -30.359 26.033 1.00 0.00 C ATOM 1917 O GLN A 121 5.214 -30.321 26.863 1.00 0.00 O ATOM 1918 CB GLN A 121 4.606 -31.414 23.727 1.00 0.00 C ATOM 1919 CG GLN A 121 6.088 -31.024 23.593 1.00 0.00 C ATOM 1920 CD GLN A 121 6.498 -30.794 22.126 1.00 0.00 C ATOM 1921 OE1 GLN A 121 6.406 -29.676 21.610 1.00 0.00 O ATOM 1922 NE2 GLN A 121 6.931 -31.849 21.441 1.00 0.00 N ATOM 0 H GLN A 121 2.260 -31.892 24.110 1.00 0.00 H new ATOM 0 HA GLN A 121 4.584 -32.438 25.639 1.00 0.00 H new ATOM 0 HB2 GLN A 121 4.448 -32.340 23.175 1.00 0.00 H new ATOM 0 HB3 GLN A 121 4.008 -30.645 23.238 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.277 -30.117 24.168 1.00 0.00 H new ATOM 0 HG3 GLN A 121 6.709 -31.810 24.023 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.996 -32.760 21.895 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.198 -31.747 20.462 1.00 0.00 H new ATOM 1931 N LYS A 122 3.444 -29.337 25.835 1.00 0.00 N ATOM 1932 CA LYS A 122 3.421 -28.132 26.681 1.00 0.00 C ATOM 1933 C LYS A 122 2.268 -28.275 27.694 1.00 0.00 C ATOM 1934 O LYS A 122 1.162 -27.765 27.483 1.00 0.00 O ATOM 1935 CB LYS A 122 3.278 -26.821 25.839 1.00 0.00 C ATOM 1936 CG LYS A 122 4.454 -26.504 24.870 1.00 0.00 C ATOM 1937 CD LYS A 122 4.478 -27.363 23.569 1.00 0.00 C ATOM 1938 CE LYS A 122 3.470 -26.910 22.483 1.00 0.00 C ATOM 1939 NZ LYS A 122 2.045 -27.055 22.893 1.00 0.00 N ATOM 0 H LYS A 122 2.753 -29.325 25.085 1.00 0.00 H new ATOM 0 HA LYS A 122 4.372 -28.047 27.207 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.359 -26.885 25.256 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.162 -25.982 26.525 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.404 -25.451 24.593 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.394 -26.649 25.402 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.483 -27.335 23.148 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.270 -28.401 23.830 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.663 -25.867 22.233 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.639 -27.492 21.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.450 -27.169 22.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.943 -27.891 23.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.746 -26.207 23.415 1.00 0.00 H new ATOM 1953 N SER A 123 2.545 -29.041 28.763 1.00 0.00 N ATOM 1954 CA SER A 123 1.580 -29.339 29.824 1.00 0.00 C ATOM 1955 C SER A 123 1.319 -28.065 30.670 1.00 0.00 C ATOM 1956 O SER A 123 0.213 -27.483 30.570 1.00 0.00 O ATOM 1957 CB SER A 123 2.118 -30.504 30.693 1.00 0.00 C ATOM 1958 OG SER A 123 1.197 -30.871 31.701 1.00 0.00 O ATOM 1959 OXT SER A 123 2.240 -27.617 31.387 1.00 0.00 O ATOM 0 H SER A 123 3.457 -29.473 28.912 1.00 0.00 H new ATOM 0 HA SER A 123 0.629 -29.649 29.391 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.326 -31.366 30.059 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.062 -30.210 31.152 1.00 0.00 H new ATOM 0 HG SER A 123 1.567 -31.609 32.229 1.00 0.00 H new TER 1965 SER A 123