USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 930 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 34 TYR OH : rot 59:sc= 0.189 USER MOD Set 1.2: A 53 HIS : no HE2:sc= -0.0966 K(o=0.093,f=-0.68) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.137 X(o=0.14,f=-0.0068) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.27 F(o=-3.5!,f=-1.3) USER MOD Single : A 16 TYR OH : rot 110:sc= -0.482 USER MOD Single : A 17 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.11) USER MOD Single : A 25 MET CE :methyl -153:sc= -1.67 (180deg=-3) USER MOD Single : A 32 CYS SG : rot -131:sc= -1.07! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.93 K(o=-1.9,f=-5.8!) 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 USER MOD Single : A 74 ASN : amide:sc= 0.00342 K(o=0.0034,f=-2.2!) USER MOD Single : A 79 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 83 THR OG1 : rot -169:sc= -0.198 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 148:sc= 0.476 (180deg=0.116) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.93 F(o=-2.5!,f=-0.93) 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 ----------------------------------------------------------------- ATOM 20 N ASN A 2 2.382 -3.288 -1.560 1.00 0.00 N ATOM 21 CA ASN A 2 2.511 -4.543 -0.782 1.00 0.00 C ATOM 22 C ASN A 2 1.147 -5.209 -0.512 1.00 0.00 C ATOM 23 O ASN A 2 1.103 -6.408 -0.221 1.00 0.00 O ATOM 24 CB ASN A 2 3.243 -4.309 0.563 1.00 0.00 C ATOM 25 CG ASN A 2 2.389 -3.590 1.608 1.00 0.00 C ATOM 26 OD1 ASN A 2 2.310 -2.364 1.631 1.00 0.00 O ATOM 27 ND2 ASN A 2 1.752 -4.350 2.496 1.00 0.00 N ATOM 0 HA ASN A 2 3.105 -5.217 -1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.562 -5.270 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.145 -3.725 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.179 -3.917 3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.836 -5.366 2.452 1.00 0.00 H new ATOM 34 N SER A 3 0.052 -4.418 -0.549 1.00 0.00 N ATOM 35 CA SER A 3 -1.310 -4.915 -0.259 1.00 0.00 C ATOM 36 C SER A 3 -1.708 -5.984 -1.280 1.00 0.00 C ATOM 37 O SER A 3 -2.217 -7.036 -0.912 1.00 0.00 O ATOM 38 CB SER A 3 -2.335 -3.753 -0.258 1.00 0.00 C ATOM 39 OG SER A 3 -2.389 -3.098 -1.519 1.00 0.00 O ATOM 0 H SER A 3 0.087 -3.425 -0.779 1.00 0.00 H new ATOM 0 HA SER A 3 -1.310 -5.362 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.323 -4.139 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.068 -3.033 0.515 1.00 0.00 H new ATOM 0 HG SER A 3 -3.046 -2.372 -1.483 1.00 0.00 H new ATOM 45 N GLU A 4 -1.407 -5.698 -2.563 1.00 0.00 N ATOM 46 CA GLU A 4 -1.644 -6.608 -3.707 1.00 0.00 C ATOM 47 C GLU A 4 -0.805 -7.903 -3.622 1.00 0.00 C ATOM 48 O GLU A 4 -1.047 -8.860 -4.366 1.00 0.00 O ATOM 49 CB GLU A 4 -1.368 -5.870 -5.049 1.00 0.00 C ATOM 50 CG GLU A 4 0.123 -5.563 -5.370 1.00 0.00 C ATOM 51 CD GLU A 4 0.829 -4.531 -4.452 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.171 -3.592 -3.937 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.054 -4.652 -4.252 1.00 0.00 O ATOM 0 H GLU A 4 -0.984 -4.812 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.692 -6.906 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.776 -6.472 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.918 -4.929 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.681 -6.498 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.184 -5.204 -6.397 1.00 0.00 H new ATOM 60 N ILE A 5 0.212 -7.900 -2.741 1.00 0.00 N ATOM 61 CA ILE A 5 1.046 -9.078 -2.446 1.00 0.00 C ATOM 62 C ILE A 5 0.429 -9.883 -1.288 1.00 0.00 C ATOM 63 O ILE A 5 0.507 -11.116 -1.253 1.00 0.00 O ATOM 64 CB ILE A 5 2.511 -8.641 -2.089 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.109 -7.722 -3.199 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.430 -9.849 -1.804 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.141 -8.307 -4.608 1.00 0.00 C ATOM 0 H ILE A 5 0.480 -7.072 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 5 1.084 -9.710 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 5 2.456 -8.064 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.534 -6.796 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.127 -7.457 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.432 -9.495 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.033 -10.418 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.474 -10.488 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.576 -7.580 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.743 -9.215 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.126 -8.544 -4.927 1.00 0.00 H new ATOM 79 N GLU A 6 -0.195 -9.162 -0.340 1.00 0.00 N ATOM 80 CA GLU A 6 -0.903 -9.769 0.803 1.00 0.00 C ATOM 81 C GLU A 6 -2.350 -10.154 0.438 1.00 0.00 C ATOM 82 O GLU A 6 -3.003 -10.840 1.223 1.00 0.00 O ATOM 83 CB GLU A 6 -0.871 -8.830 2.041 1.00 0.00 C ATOM 84 CG GLU A 6 0.537 -8.593 2.614 1.00 0.00 C ATOM 85 CD GLU A 6 0.538 -7.787 3.927 1.00 0.00 C ATOM 86 OE1 GLU A 6 0.455 -6.541 3.872 1.00 0.00 O ATOM 87 OE2 GLU A 6 0.612 -8.393 5.022 1.00 0.00 O ATOM 0 H GLU A 6 -0.223 -8.142 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.377 -10.688 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.306 -7.869 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.503 -9.254 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.017 -9.556 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.138 -8.066 1.873 1.00 0.00 H new ATOM 94 N LEU A 7 -2.854 -9.724 -0.743 1.00 0.00 N ATOM 95 CA LEU A 7 -4.195 -10.143 -1.213 1.00 0.00 C ATOM 96 C LEU A 7 -4.206 -11.668 -1.503 1.00 0.00 C ATOM 97 O LEU A 7 -5.034 -12.367 -0.925 1.00 0.00 O ATOM 98 CB LEU A 7 -4.717 -9.339 -2.443 1.00 0.00 C ATOM 99 CG LEU A 7 -4.921 -7.806 -2.262 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.552 -7.161 -3.515 1.00 0.00 C ATOM 101 CD2 LEU A 7 -5.729 -7.483 -0.990 1.00 0.00 C ATOM 0 H LEU A 7 -2.361 -9.097 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.888 -9.917 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.019 -9.491 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.669 -9.772 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.932 -7.365 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.678 -6.091 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.900 -7.321 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.524 -7.615 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.849 -6.403 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.710 -7.954 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.200 -7.863 -0.116 1.00 0.00 H new ATOM 113 N PRO A 8 -3.275 -12.232 -2.367 1.00 0.00 N ATOM 114 CA PRO A 8 -3.190 -13.690 -2.572 1.00 0.00 C ATOM 115 C PRO A 8 -2.972 -14.461 -1.255 1.00 0.00 C ATOM 116 O PRO A 8 -3.692 -15.415 -0.962 1.00 0.00 O ATOM 117 CB PRO A 8 -1.999 -13.873 -3.560 1.00 0.00 C ATOM 118 CG PRO A 8 -1.262 -12.576 -3.536 1.00 0.00 C ATOM 119 CD PRO A 8 -2.293 -11.524 -3.236 1.00 0.00 C ATOM 0 HA PRO A 8 -4.121 -14.097 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.355 -14.697 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.354 -14.105 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.480 -12.585 -2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.775 -12.385 -4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.854 -10.666 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.761 -11.150 -4.147 1.00 0.00 H new ATOM 127 N VAL A 9 -2.024 -13.968 -0.453 1.00 0.00 N ATOM 128 CA VAL A 9 -1.570 -14.622 0.786 1.00 0.00 C ATOM 129 C VAL A 9 -2.679 -14.712 1.874 1.00 0.00 C ATOM 130 O VAL A 9 -2.886 -15.777 2.470 1.00 0.00 O ATOM 131 CB VAL A 9 -0.284 -13.886 1.317 1.00 0.00 C ATOM 132 CG1 VAL A 9 0.099 -14.339 2.744 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.897 -14.099 0.325 1.00 0.00 C ATOM 0 H VAL A 9 -1.541 -13.091 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.323 -15.657 0.549 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.509 -12.821 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.992 -13.804 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.722 -14.122 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.298 -15.411 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.783 -13.587 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.106 -15.165 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.629 -13.695 -0.651 1.00 0.00 H new ATOM 143 N GLN A 10 -3.406 -13.608 2.105 1.00 0.00 N ATOM 144 CA GLN A 10 -4.445 -13.548 3.172 1.00 0.00 C ATOM 145 C GLN A 10 -5.678 -14.383 2.742 1.00 0.00 C ATOM 146 O GLN A 10 -6.238 -15.131 3.544 1.00 0.00 O ATOM 147 CB GLN A 10 -4.830 -12.063 3.492 1.00 0.00 C ATOM 148 CG GLN A 10 -5.294 -11.767 4.948 1.00 0.00 C ATOM 149 CD GLN A 10 -6.596 -12.463 5.363 1.00 0.00 C ATOM 150 OE1 GLN A 10 -7.684 -11.937 5.151 1.00 0.00 O ATOM 151 NE2 GLN A 10 -6.488 -13.645 5.954 1.00 0.00 N ATOM 0 H GLN A 10 -3.302 -12.742 1.575 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.044 -13.977 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.969 -11.432 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.627 -11.762 2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.503 -12.068 5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.422 -10.691 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.567 -14.053 6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.326 -14.147 6.248 1.00 0.00 H new ATOM 160 N LYS A 11 -6.060 -14.275 1.453 1.00 0.00 N ATOM 161 CA LYS A 11 -7.196 -15.036 0.884 1.00 0.00 C ATOM 162 C LYS A 11 -6.897 -16.551 0.851 1.00 0.00 C ATOM 163 O LYS A 11 -7.830 -17.363 0.878 1.00 0.00 O ATOM 164 CB LYS A 11 -7.561 -14.524 -0.527 1.00 0.00 C ATOM 165 CG LYS A 11 -8.002 -13.044 -0.588 1.00 0.00 C ATOM 166 CD LYS A 11 -9.302 -12.742 0.186 1.00 0.00 C ATOM 167 CE LYS A 11 -9.705 -11.258 0.073 1.00 0.00 C ATOM 168 NZ LYS A 11 -10.971 -10.968 0.781 1.00 0.00 N ATOM 0 H LYS A 11 -5.596 -13.664 0.781 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.054 -14.875 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.699 -14.658 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.364 -15.144 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.201 -12.421 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.138 -12.759 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.108 -13.368 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.169 -13.003 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.910 -10.635 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.809 -10.990 -0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.203 -9.959 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.736 -11.542 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.865 -11.198 1.790 1.00 0.00 H new ATOM 182 N GLN A 12 -5.591 -16.921 0.784 1.00 0.00 N ATOM 183 CA GLN A 12 -5.160 -18.330 0.932 1.00 0.00 C ATOM 184 C GLN A 12 -5.562 -18.865 2.310 1.00 0.00 C ATOM 185 O GLN A 12 -6.056 -19.978 2.413 1.00 0.00 O ATOM 186 CB GLN A 12 -3.630 -18.521 0.802 1.00 0.00 C ATOM 187 CG GLN A 12 -3.058 -18.475 -0.612 1.00 0.00 C ATOM 188 CD GLN A 12 -1.585 -18.873 -0.604 1.00 0.00 C ATOM 189 OE1 GLN A 12 -0.704 -17.917 -0.350 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -1.257 -20.038 -0.759 1.00 0.00 N flip ATOM 0 H GLN A 12 -4.825 -16.265 0.629 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.652 -18.871 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.138 -17.750 1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.367 -19.481 1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.619 -19.148 -1.260 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.168 -17.471 -1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.965 -20.746 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.274 -20.304 -0.694 1.00 0.00 H new ATOM 199 N LEU A 13 -5.290 -18.068 3.368 1.00 0.00 N ATOM 200 CA LEU A 13 -5.621 -18.442 4.759 1.00 0.00 C ATOM 201 C LEU A 13 -7.111 -18.702 4.878 1.00 0.00 C ATOM 202 O LEU A 13 -7.528 -19.750 5.391 1.00 0.00 O ATOM 203 CB LEU A 13 -5.179 -17.329 5.754 1.00 0.00 C ATOM 204 CG LEU A 13 -5.439 -17.561 7.295 1.00 0.00 C ATOM 205 CD1 LEU A 13 -6.904 -17.350 7.757 1.00 0.00 C ATOM 206 CD2 LEU A 13 -4.901 -18.927 7.757 1.00 0.00 C ATOM 0 H LEU A 13 -4.840 -17.157 3.282 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.079 -19.352 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.110 -17.165 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.682 -16.406 5.466 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.875 -16.770 7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.977 -17.533 8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.209 -16.326 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.557 -18.042 7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.097 -19.054 8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.398 -19.721 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.827 -18.975 7.577 1.00 0.00 H new ATOM 218 N GLU A 14 -7.895 -17.716 4.406 1.00 0.00 N ATOM 219 CA GLU A 14 -9.364 -17.765 4.468 1.00 0.00 C ATOM 220 C GLU A 14 -9.882 -19.054 3.794 1.00 0.00 C ATOM 221 O GLU A 14 -10.875 -19.645 4.215 1.00 0.00 O ATOM 222 CB GLU A 14 -9.979 -16.525 3.762 1.00 0.00 C ATOM 223 CG GLU A 14 -9.538 -15.162 4.333 1.00 0.00 C ATOM 224 CD GLU A 14 -10.014 -14.913 5.776 1.00 0.00 C ATOM 225 OE1 GLU A 14 -11.222 -14.640 5.975 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.198 -15.014 6.716 1.00 0.00 O ATOM 0 H GLU A 14 -7.529 -16.868 3.973 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.664 -17.761 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.716 -16.561 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.065 -16.593 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.450 -15.100 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.920 -14.368 3.691 1.00 0.00 H new ATOM 233 N ALA A 15 -9.157 -19.455 2.745 1.00 0.00 N ATOM 234 CA ALA A 15 -9.427 -20.651 1.949 1.00 0.00 C ATOM 235 C ALA A 15 -8.861 -21.937 2.591 1.00 0.00 C ATOM 236 O ALA A 15 -9.398 -23.019 2.370 1.00 0.00 O ATOM 237 CB ALA A 15 -8.820 -20.444 0.563 1.00 0.00 C ATOM 0 H ALA A 15 -8.341 -18.938 2.418 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.507 -20.789 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.008 -21.324 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.273 -19.570 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.745 -20.289 0.656 1.00 0.00 H new ATOM 243 N TYR A 16 -7.778 -21.812 3.389 1.00 0.00 N ATOM 244 CA TYR A 16 -7.031 -22.978 3.921 1.00 0.00 C ATOM 245 C TYR A 16 -7.867 -23.705 4.992 1.00 0.00 C ATOM 246 O TYR A 16 -7.985 -24.936 4.982 1.00 0.00 O ATOM 247 CB TYR A 16 -5.663 -22.509 4.494 1.00 0.00 C ATOM 248 CG TYR A 16 -4.700 -23.636 4.919 1.00 0.00 C ATOM 249 CD1 TYR A 16 -4.427 -24.719 4.077 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.055 -23.609 6.155 1.00 0.00 C ATOM 251 CE1 TYR A 16 -3.555 -25.725 4.456 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.182 -24.611 6.537 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.938 -25.669 5.684 1.00 0.00 C ATOM 254 OH TYR A 16 -2.071 -26.675 6.060 1.00 0.00 O ATOM 0 H TYR A 16 -7.399 -20.911 3.681 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.840 -23.684 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.166 -21.894 3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.850 -21.870 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.907 -24.771 3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.242 -22.786 6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.360 -26.552 3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.693 -24.566 7.499 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.154 -26.329 6.071 1.00 0.00 H new ATOM 264 N ASN A 17 -8.485 -22.907 5.883 1.00 0.00 N ATOM 265 CA ASN A 17 -9.350 -23.428 6.962 1.00 0.00 C ATOM 266 C ASN A 17 -10.758 -23.784 6.422 1.00 0.00 C ATOM 267 O ASN A 17 -11.423 -24.679 6.951 1.00 0.00 O ATOM 268 CB ASN A 17 -9.437 -22.407 8.134 1.00 0.00 C ATOM 269 CG ASN A 17 -10.092 -21.070 7.758 1.00 0.00 C ATOM 270 OD1 ASN A 17 -11.315 -20.933 7.793 1.00 0.00 O ATOM 271 ND2 ASN A 17 -9.291 -20.067 7.420 1.00 0.00 N ATOM 0 H ASN A 17 -8.401 -21.890 5.877 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.903 -24.345 7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.000 -22.857 8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.431 -22.214 8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.686 -19.157 7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.281 -20.206 7.399 1.00 0.00 H new ATOM 278 N ALA A 18 -11.189 -23.078 5.355 1.00 0.00 N ATOM 279 CA ALA A 18 -12.532 -23.255 4.739 1.00 0.00 C ATOM 280 C ALA A 18 -12.501 -24.228 3.536 1.00 0.00 C ATOM 281 O ALA A 18 -13.513 -24.391 2.842 1.00 0.00 O ATOM 282 CB ALA A 18 -13.094 -21.889 4.319 1.00 0.00 C ATOM 0 H ALA A 18 -10.620 -22.369 4.893 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.186 -23.701 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.077 -22.023 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.181 -21.246 5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.423 -21.427 3.595 1.00 0.00 H new ATOM 288 N ARG A 19 -11.322 -24.840 3.293 1.00 0.00 N ATOM 289 CA ARG A 19 -11.105 -25.901 2.274 1.00 0.00 C ATOM 290 C ARG A 19 -11.310 -25.422 0.809 1.00 0.00 C ATOM 291 O ARG A 19 -11.360 -26.254 -0.108 1.00 0.00 O ATOM 292 CB ARG A 19 -11.976 -27.163 2.570 1.00 0.00 C ATOM 293 CG ARG A 19 -11.671 -27.883 3.902 1.00 0.00 C ATOM 294 CD ARG A 19 -10.236 -28.437 3.989 1.00 0.00 C ATOM 295 NE ARG A 19 -10.093 -29.394 5.098 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.826 -29.083 6.372 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.495 -27.839 6.723 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.861 -30.032 7.291 1.00 0.00 N ATOM 0 H ARG A 19 -10.473 -24.608 3.809 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.052 -26.170 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.025 -26.867 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.844 -27.874 1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.834 -27.189 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.377 -28.703 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.976 -28.925 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.535 -27.614 4.125 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.208 -30.383 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.442 -27.106 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.295 -27.621 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.090 -30.990 7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.659 -29.806 8.265 1.00 0.00 H new ATOM 312 N ASP A 20 -11.382 -24.098 0.584 1.00 0.00 N ATOM 313 CA ASP A 20 -11.584 -23.534 -0.763 1.00 0.00 C ATOM 314 C ASP A 20 -10.285 -23.574 -1.596 1.00 0.00 C ATOM 315 O ASP A 20 -9.442 -22.683 -1.508 1.00 0.00 O ATOM 316 CB ASP A 20 -12.131 -22.081 -0.685 1.00 0.00 C ATOM 317 CG ASP A 20 -13.567 -22.008 -0.145 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.513 -22.271 -0.922 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.759 -21.682 1.046 1.00 0.00 O ATOM 0 H ASP A 20 -11.303 -23.396 1.320 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.325 -24.156 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.478 -21.487 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.099 -21.633 -1.678 1.00 0.00 H new ATOM 324 N ILE A 21 -10.141 -24.629 -2.404 1.00 0.00 N ATOM 325 CA ILE A 21 -9.102 -24.708 -3.453 1.00 0.00 C ATOM 326 C ILE A 21 -9.340 -23.623 -4.529 1.00 0.00 C ATOM 327 O ILE A 21 -8.395 -23.186 -5.200 1.00 0.00 O ATOM 328 CB ILE A 21 -9.063 -26.153 -4.092 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.593 -27.197 -3.038 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.169 -26.216 -5.363 1.00 0.00 C ATOM 331 CD1 ILE A 21 -7.144 -27.031 -2.612 1.00 0.00 C ATOM 0 H ILE A 21 -10.737 -25.455 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.130 -24.522 -2.997 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.078 -26.395 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.231 -27.123 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.729 -28.198 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.176 -27.230 -5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.555 -25.527 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.148 -25.936 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.891 -27.795 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.495 -27.136 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.005 -26.043 -2.172 1.00 0.00 H new ATOM 343 N ASP A 22 -10.617 -23.193 -4.664 1.00 0.00 N ATOM 344 CA ASP A 22 -11.031 -22.107 -5.577 1.00 0.00 C ATOM 345 C ASP A 22 -10.153 -20.851 -5.385 1.00 0.00 C ATOM 346 O ASP A 22 -9.578 -20.354 -6.347 1.00 0.00 O ATOM 347 CB ASP A 22 -12.524 -21.738 -5.330 1.00 0.00 C ATOM 348 CG ASP A 22 -13.508 -22.883 -5.643 1.00 0.00 C ATOM 349 OD1 ASP A 22 -13.521 -23.887 -4.893 1.00 0.00 O ATOM 350 OD2 ASP A 22 -14.279 -22.785 -6.632 1.00 0.00 O ATOM 0 H ASP A 22 -11.393 -23.595 -4.137 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.906 -22.465 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.647 -21.440 -4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.781 -20.873 -5.942 1.00 0.00 H new ATOM 355 N ALA A 23 -10.000 -20.402 -4.125 1.00 0.00 N ATOM 356 CA ALA A 23 -9.151 -19.238 -3.776 1.00 0.00 C ATOM 357 C ALA A 23 -7.679 -19.656 -3.651 1.00 0.00 C ATOM 358 O ALA A 23 -6.771 -18.931 -4.082 1.00 0.00 O ATOM 359 CB ALA A 23 -9.646 -18.576 -2.483 1.00 0.00 C ATOM 0 H ALA A 23 -10.458 -20.831 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.225 -18.506 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.010 -17.724 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.673 -18.236 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.608 -19.298 -1.667 1.00 0.00 H new ATOM 365 N PHE A 24 -7.453 -20.861 -3.095 1.00 0.00 N ATOM 366 CA PHE A 24 -6.094 -21.398 -2.845 1.00 0.00 C ATOM 367 C PHE A 24 -5.340 -21.688 -4.175 1.00 0.00 C ATOM 368 O PHE A 24 -4.175 -22.087 -4.155 1.00 0.00 O ATOM 369 CB PHE A 24 -6.156 -22.664 -1.929 1.00 0.00 C ATOM 370 CG PHE A 24 -4.972 -22.795 -0.962 1.00 0.00 C ATOM 371 CD1 PHE A 24 -3.785 -23.421 -1.340 1.00 0.00 C ATOM 372 CD2 PHE A 24 -5.044 -22.262 0.327 1.00 0.00 C ATOM 373 CE1 PHE A 24 -2.717 -23.511 -0.463 1.00 0.00 C ATOM 374 CE2 PHE A 24 -3.973 -22.351 1.196 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.811 -22.974 0.802 1.00 0.00 C ATOM 0 H PHE A 24 -8.201 -21.491 -2.806 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.525 -20.633 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.081 -22.638 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.198 -23.553 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.697 -23.842 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.951 -21.773 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.807 -24.004 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.048 -21.930 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.975 -23.042 1.483 1.00 0.00 H new ATOM 385 N MET A 25 -6.038 -21.556 -5.330 1.00 0.00 N ATOM 386 CA MET A 25 -5.400 -21.618 -6.663 1.00 0.00 C ATOM 387 C MET A 25 -5.610 -20.320 -7.485 1.00 0.00 C ATOM 388 O MET A 25 -4.738 -19.956 -8.288 1.00 0.00 O ATOM 389 CB MET A 25 -5.907 -22.855 -7.456 1.00 0.00 C ATOM 390 CG MET A 25 -5.205 -23.104 -8.814 1.00 0.00 C ATOM 391 SD MET A 25 -3.698 -24.120 -8.729 1.00 0.00 S ATOM 392 CE MET A 25 -2.595 -23.275 -7.600 1.00 0.00 C ATOM 0 H MET A 25 -7.046 -21.406 -5.362 1.00 0.00 H new ATOM 0 HA MET A 25 -4.328 -21.718 -6.496 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.782 -23.741 -6.833 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.976 -22.738 -7.634 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.913 -23.587 -9.488 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.951 -22.141 -9.256 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.562 -23.520 -7.849 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.743 -22.198 -7.684 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.807 -23.592 -6.579 1.00 0.00 H new ATOM 402 N ALA A 26 -6.751 -19.618 -7.274 1.00 0.00 N ATOM 403 CA ALA A 26 -7.124 -18.408 -8.076 1.00 0.00 C ATOM 404 C ALA A 26 -6.075 -17.293 -7.970 1.00 0.00 C ATOM 405 O ALA A 26 -5.827 -16.559 -8.926 1.00 0.00 O ATOM 406 CB ALA A 26 -8.489 -17.857 -7.634 1.00 0.00 C ATOM 0 H ALA A 26 -7.434 -19.863 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.176 -18.732 -9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.738 -16.979 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.253 -18.621 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.446 -17.579 -6.581 1.00 0.00 H new ATOM 412 N TRP A 27 -5.474 -17.186 -6.786 1.00 0.00 N ATOM 413 CA TRP A 27 -4.522 -16.122 -6.448 1.00 0.00 C ATOM 414 C TRP A 27 -3.068 -16.481 -6.813 1.00 0.00 C ATOM 415 O TRP A 27 -2.150 -15.713 -6.523 1.00 0.00 O ATOM 416 CB TRP A 27 -4.658 -15.832 -4.945 1.00 0.00 C ATOM 417 CG TRP A 27 -5.976 -15.197 -4.560 1.00 0.00 C ATOM 418 CD1 TRP A 27 -7.061 -15.813 -4.016 1.00 0.00 C ATOM 419 CD2 TRP A 27 -6.332 -13.812 -4.703 1.00 0.00 C ATOM 420 NE1 TRP A 27 -8.063 -14.910 -3.807 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.646 -13.670 -4.225 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.664 -12.681 -5.190 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -8.308 -12.441 -4.217 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -6.317 -11.465 -5.179 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.629 -11.353 -4.699 1.00 0.00 C ATOM 0 H TRP A 27 -5.635 -17.843 -6.023 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.759 -15.236 -7.037 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.540 -16.764 -4.393 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.845 -15.174 -4.637 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.121 -16.866 -3.783 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.976 -15.122 -3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.655 -12.759 -5.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.318 -12.351 -3.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.809 -10.586 -5.546 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -8.115 -10.389 -4.709 1.00 0.00 H new ATOM 436 N TRP A 28 -2.873 -17.642 -7.448 1.00 0.00 N ATOM 437 CA TRP A 28 -1.547 -18.120 -7.891 1.00 0.00 C ATOM 438 C TRP A 28 -1.395 -17.911 -9.404 1.00 0.00 C ATOM 439 O TRP A 28 -2.390 -17.793 -10.125 1.00 0.00 O ATOM 440 CB TRP A 28 -1.376 -19.626 -7.563 1.00 0.00 C ATOM 441 CG TRP A 28 -1.419 -19.987 -6.088 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.405 -19.701 -5.182 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.439 -20.746 -5.372 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.090 -20.234 -3.959 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.889 -20.883 -4.053 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.775 -21.321 -5.723 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.170 -21.577 -3.088 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.490 -22.005 -4.762 1.00 0.00 C ATOM 449 CH2 TRP A 28 1.015 -22.132 -3.459 1.00 0.00 C ATOM 0 H TRP A 28 -3.632 -18.285 -7.673 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.782 -17.551 -7.363 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.159 -20.182 -8.078 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.424 -19.963 -7.973 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.300 -19.138 -5.399 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.659 -20.159 -3.116 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.153 -21.234 -6.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.539 -21.673 -2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.438 -22.451 -5.025 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.596 -22.680 -2.732 1.00 0.00 H new ATOM 460 N ALA A 29 -0.142 -17.846 -9.862 1.00 0.00 N ATOM 461 CA ALA A 29 0.209 -17.837 -11.294 1.00 0.00 C ATOM 462 C ALA A 29 0.208 -19.275 -11.828 1.00 0.00 C ATOM 463 O ALA A 29 0.519 -20.197 -11.078 1.00 0.00 O ATOM 464 CB ALA A 29 1.589 -17.184 -11.495 1.00 0.00 C ATOM 0 H ALA A 29 0.670 -17.797 -9.246 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.528 -17.254 -11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.840 -17.182 -12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.563 -16.159 -11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.342 -17.749 -10.945 1.00 0.00 H new ATOM 470 N ASP A 30 -0.131 -19.471 -13.118 1.00 0.00 N ATOM 471 CA ASP A 30 -0.117 -20.819 -13.753 1.00 0.00 C ATOM 472 C ASP A 30 1.328 -21.373 -13.851 1.00 0.00 C ATOM 473 O ASP A 30 1.549 -22.586 -13.885 1.00 0.00 O ATOM 474 CB ASP A 30 -0.787 -20.772 -15.150 1.00 0.00 C ATOM 475 CG ASP A 30 -0.870 -22.156 -15.837 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.588 -23.045 -15.320 1.00 0.00 O ATOM 477 OD2 ASP A 30 -0.227 -22.362 -16.895 1.00 0.00 O ATOM 0 H ASP A 30 -0.418 -18.720 -13.745 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.692 -21.496 -13.122 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.793 -20.363 -15.049 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.228 -20.089 -15.790 1.00 0.00 H new ATOM 482 N ASP A 31 2.291 -20.449 -13.854 1.00 0.00 N ATOM 483 CA ASP A 31 3.738 -20.730 -13.934 1.00 0.00 C ATOM 484 C ASP A 31 4.355 -20.992 -12.523 1.00 0.00 C ATOM 485 O ASP A 31 5.541 -21.338 -12.413 1.00 0.00 O ATOM 486 CB ASP A 31 4.401 -19.507 -14.634 1.00 0.00 C ATOM 487 CG ASP A 31 5.922 -19.628 -14.831 1.00 0.00 C ATOM 488 OD1 ASP A 31 6.365 -20.447 -15.668 1.00 0.00 O ATOM 489 OD2 ASP A 31 6.684 -18.899 -14.157 1.00 0.00 O ATOM 0 H ASP A 31 2.086 -19.451 -13.799 1.00 0.00 H new ATOM 0 HA ASP A 31 3.918 -21.640 -14.506 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.932 -19.364 -15.608 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.194 -18.613 -14.046 1.00 0.00 H new ATOM 494 N CYS A 32 3.519 -20.881 -11.457 1.00 0.00 N ATOM 495 CA CYS A 32 3.991 -20.821 -10.052 1.00 0.00 C ATOM 496 C CYS A 32 4.791 -22.056 -9.605 1.00 0.00 C ATOM 497 O CYS A 32 4.368 -23.184 -9.801 1.00 0.00 O ATOM 498 CB CYS A 32 2.823 -20.633 -9.072 1.00 0.00 C ATOM 499 SG CYS A 32 3.353 -20.437 -7.354 1.00 0.00 S ATOM 0 H CYS A 32 2.504 -20.831 -11.549 1.00 0.00 H new ATOM 0 HA CYS A 32 4.658 -19.959 -10.030 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.246 -19.757 -9.369 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.156 -21.492 -9.143 1.00 0.00 H new ATOM 0 HG CYS A 32 2.661 -21.232 -6.593 1.00 0.00 H new ATOM 505 N GLN A 33 5.936 -21.806 -8.959 1.00 0.00 N ATOM 506 CA GLN A 33 6.792 -22.859 -8.387 1.00 0.00 C ATOM 507 C GLN A 33 6.343 -23.178 -6.950 1.00 0.00 C ATOM 508 O GLN A 33 5.740 -22.333 -6.293 1.00 0.00 O ATOM 509 CB GLN A 33 8.263 -22.389 -8.409 1.00 0.00 C ATOM 510 CG GLN A 33 8.782 -22.020 -9.811 1.00 0.00 C ATOM 511 CD GLN A 33 8.814 -23.188 -10.791 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.778 -23.951 -10.830 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.783 -23.314 -11.618 1.00 0.00 N ATOM 0 H GLN A 33 6.299 -20.864 -8.816 1.00 0.00 H new ATOM 0 HA GLN A 33 6.703 -23.768 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.367 -21.523 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.892 -23.178 -7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.153 -21.231 -10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.788 -21.610 -9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.999 -22.664 -11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.775 -24.061 -12.313 1.00 0.00 H new ATOM 522 N TYR A 34 6.632 -24.404 -6.485 1.00 0.00 N ATOM 523 CA TYR A 34 6.286 -24.855 -5.125 1.00 0.00 C ATOM 524 C TYR A 34 7.389 -25.793 -4.614 1.00 0.00 C ATOM 525 O TYR A 34 7.545 -26.913 -5.119 1.00 0.00 O ATOM 526 CB TYR A 34 4.909 -25.571 -5.141 1.00 0.00 C ATOM 527 CG TYR A 34 4.307 -25.885 -3.758 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.538 -24.935 -3.080 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.485 -27.133 -3.142 1.00 0.00 C ATOM 530 CE1 TYR A 34 2.972 -25.211 -1.849 1.00 0.00 C ATOM 531 CE2 TYR A 34 3.922 -27.409 -1.906 1.00 0.00 C ATOM 532 CZ TYR A 34 3.165 -26.445 -1.265 1.00 0.00 C ATOM 533 OH TYR A 34 2.589 -26.724 -0.039 1.00 0.00 O ATOM 0 H TYR A 34 7.112 -25.112 -7.041 1.00 0.00 H new ATOM 0 HA TYR A 34 6.212 -23.999 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.203 -24.950 -5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.011 -26.505 -5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.383 -23.964 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.071 -27.892 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.380 -24.461 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.074 -28.374 -1.445 1.00 0.00 H new ATOM 0 HH TYR A 34 1.616 -26.624 -0.104 1.00 0.00 H new ATOM 543 N TYR A 35 8.161 -25.315 -3.627 1.00 0.00 N ATOM 544 CA TYR A 35 9.240 -26.082 -2.982 1.00 0.00 C ATOM 545 C TYR A 35 8.869 -26.424 -1.533 1.00 0.00 C ATOM 546 O TYR A 35 8.061 -25.734 -0.893 1.00 0.00 O ATOM 547 CB TYR A 35 10.573 -25.289 -2.990 1.00 0.00 C ATOM 548 CG TYR A 35 11.123 -24.940 -4.388 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.541 -23.936 -5.168 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.233 -25.601 -4.919 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.041 -23.612 -6.410 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.730 -25.279 -6.166 1.00 0.00 C ATOM 553 CZ TYR A 35 12.133 -24.284 -6.907 1.00 0.00 C ATOM 554 OH TYR A 35 12.631 -23.961 -8.150 1.00 0.00 O ATOM 0 H TYR A 35 8.053 -24.374 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 35 9.371 -27.002 -3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.430 -24.363 -2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.325 -25.869 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.681 -23.403 -4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.712 -26.379 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.576 -22.831 -6.993 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.586 -25.807 -6.560 1.00 0.00 H new ATOM 0 HH TYR A 35 13.404 -24.529 -8.350 1.00 0.00 H new ATOM 564 N ALA A 36 9.482 -27.503 -1.039 1.00 0.00 N ATOM 565 CA ALA A 36 9.398 -27.937 0.364 1.00 0.00 C ATOM 566 C ALA A 36 10.781 -27.816 1.015 1.00 0.00 C ATOM 567 O ALA A 36 11.786 -27.769 0.302 1.00 0.00 O ATOM 568 CB ALA A 36 8.884 -29.384 0.429 1.00 0.00 C ATOM 0 H ALA A 36 10.063 -28.114 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 36 8.699 -27.302 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.823 -29.702 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.895 -29.440 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.569 -30.038 -0.111 1.00 0.00 H new ATOM 574 N PHE A 37 10.815 -27.757 2.360 1.00 0.00 N ATOM 575 CA PHE A 37 12.068 -27.707 3.157 1.00 0.00 C ATOM 576 C PHE A 37 13.037 -28.861 2.755 1.00 0.00 C ATOM 577 O PHE A 37 12.611 -30.018 2.745 1.00 0.00 O ATOM 578 CB PHE A 37 11.718 -27.794 4.671 1.00 0.00 C ATOM 579 CG PHE A 37 12.927 -27.821 5.617 1.00 0.00 C ATOM 580 CD1 PHE A 37 13.656 -26.661 5.874 1.00 0.00 C ATOM 581 CD2 PHE A 37 13.336 -29.004 6.244 1.00 0.00 C ATOM 582 CE1 PHE A 37 14.748 -26.679 6.721 1.00 0.00 C ATOM 583 CE2 PHE A 37 14.429 -29.019 7.090 1.00 0.00 C ATOM 584 CZ PHE A 37 15.133 -27.856 7.330 1.00 0.00 C ATOM 0 H PHE A 37 9.971 -27.742 2.933 1.00 0.00 H new ATOM 0 HA PHE A 37 12.576 -26.764 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.090 -26.942 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.124 -28.692 4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 37 13.363 -25.734 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.790 -29.918 6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 37 15.301 -25.770 6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 37 14.732 -29.941 7.563 1.00 0.00 H new ATOM 0 HZ PHE A 37 15.985 -27.867 7.994 1.00 0.00 H new ATOM 594 N PRO A 38 14.351 -28.590 2.405 1.00 0.00 N ATOM 595 CA PRO A 38 14.971 -27.231 2.337 1.00 0.00 C ATOM 596 C PRO A 38 14.571 -26.424 1.067 1.00 0.00 C ATOM 597 O PRO A 38 14.185 -25.253 1.162 1.00 0.00 O ATOM 598 CB PRO A 38 16.491 -27.551 2.351 1.00 0.00 C ATOM 599 CG PRO A 38 16.603 -28.896 1.696 1.00 0.00 C ATOM 600 CD PRO A 38 15.349 -29.653 2.095 1.00 0.00 C ATOM 0 HA PRO A 38 14.641 -26.590 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.059 -26.797 1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.882 -27.572 3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.674 -28.799 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.499 -29.420 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.002 -30.299 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.530 -30.292 2.960 1.00 0.00 H new ATOM 608 N ALA A 39 14.657 -27.082 -0.103 1.00 0.00 N ATOM 609 CA ALA A 39 14.330 -26.505 -1.412 1.00 0.00 C ATOM 610 C ALA A 39 14.157 -27.666 -2.402 1.00 0.00 C ATOM 611 O ALA A 39 15.086 -28.029 -3.129 1.00 0.00 O ATOM 612 CB ALA A 39 15.411 -25.504 -1.887 1.00 0.00 C ATOM 0 H ALA A 39 14.964 -28.053 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 39 13.406 -25.931 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.130 -25.100 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.495 -24.690 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.370 -26.016 -1.970 1.00 0.00 H new ATOM 618 N THR A 40 12.982 -28.305 -2.347 1.00 0.00 N ATOM 619 CA THR A 40 12.653 -29.484 -3.168 1.00 0.00 C ATOM 620 C THR A 40 11.385 -29.197 -3.981 1.00 0.00 C ATOM 621 O THR A 40 10.288 -29.138 -3.413 1.00 0.00 O ATOM 622 CB THR A 40 12.456 -30.737 -2.251 1.00 0.00 C ATOM 623 OG1 THR A 40 13.632 -30.921 -1.441 1.00 0.00 O ATOM 624 CG2 THR A 40 12.170 -32.028 -3.050 1.00 0.00 C ATOM 0 H THR A 40 12.224 -28.018 -1.727 1.00 0.00 H new ATOM 0 HA THR A 40 13.472 -29.693 -3.856 1.00 0.00 H new ATOM 0 HB THR A 40 11.582 -30.549 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.512 -31.704 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.043 -32.862 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.260 -31.899 -3.636 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.006 -32.235 -3.719 1.00 0.00 H new ATOM 632 N LEU A 41 11.550 -28.987 -5.302 1.00 0.00 N ATOM 633 CA LEU A 41 10.443 -28.627 -6.201 1.00 0.00 C ATOM 634 C LEU A 41 9.454 -29.802 -6.324 1.00 0.00 C ATOM 635 O LEU A 41 9.731 -30.798 -7.007 1.00 0.00 O ATOM 636 CB LEU A 41 10.983 -28.196 -7.598 1.00 0.00 C ATOM 637 CG LEU A 41 9.925 -27.609 -8.593 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.243 -26.346 -8.023 1.00 0.00 C ATOM 639 CD2 LEU A 41 10.550 -27.315 -9.977 1.00 0.00 C ATOM 0 H LEU A 41 12.452 -29.063 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 41 9.911 -27.776 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.765 -27.451 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.452 -29.061 -8.067 1.00 0.00 H new ATOM 0 HG LEU A 41 9.157 -28.371 -8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.516 -25.969 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.735 -26.596 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.995 -25.581 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.788 -26.909 -10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.357 -26.591 -9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.947 -28.238 -10.401 1.00 0.00 H new ATOM 651 N LEU A 42 8.324 -29.685 -5.610 1.00 0.00 N ATOM 652 CA LEU A 42 7.238 -30.674 -5.649 1.00 0.00 C ATOM 653 C LEU A 42 6.348 -30.428 -6.877 1.00 0.00 C ATOM 654 O LEU A 42 5.846 -31.374 -7.499 1.00 0.00 O ATOM 655 CB LEU A 42 6.379 -30.586 -4.359 1.00 0.00 C ATOM 656 CG LEU A 42 7.137 -30.721 -2.998 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.155 -30.652 -1.804 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.996 -32.008 -2.946 1.00 0.00 C ATOM 0 H LEU A 42 8.138 -28.899 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 42 7.678 -31.669 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.856 -29.630 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.618 -31.365 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 42 7.819 -29.875 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.710 -30.749 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.632 -29.696 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.431 -31.463 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.507 -32.066 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.353 -32.880 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.734 -31.986 -3.748 1.00 0.00 H new ATOM 670 N ALA A 43 6.159 -29.134 -7.198 1.00 0.00 N ATOM 671 CA ALA A 43 5.250 -28.690 -8.264 1.00 0.00 C ATOM 672 C ALA A 43 5.814 -27.440 -8.963 1.00 0.00 C ATOM 673 O ALA A 43 5.951 -26.388 -8.335 1.00 0.00 O ATOM 674 CB ALA A 43 3.879 -28.408 -7.642 1.00 0.00 C ATOM 0 H ALA A 43 6.635 -28.368 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 43 5.149 -29.467 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.189 -28.077 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.495 -29.317 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.976 -27.629 -6.886 1.00 0.00 H new ATOM 680 N GLY A 44 6.126 -27.566 -10.267 1.00 0.00 N ATOM 681 CA GLY A 44 6.760 -26.489 -11.048 1.00 0.00 C ATOM 682 C GLY A 44 5.785 -25.744 -11.956 1.00 0.00 C ATOM 683 O GLY A 44 6.149 -25.362 -13.073 1.00 0.00 O ATOM 0 H GLY A 44 5.946 -28.413 -10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.223 -25.778 -10.364 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.559 -26.913 -11.656 1.00 0.00 H new ATOM 687 N ASN A 45 4.582 -25.482 -11.417 1.00 0.00 N ATOM 688 CA ASN A 45 3.403 -24.893 -12.128 1.00 0.00 C ATOM 689 C ASN A 45 2.138 -25.114 -11.266 1.00 0.00 C ATOM 690 O ASN A 45 2.057 -26.104 -10.520 1.00 0.00 O ATOM 691 CB ASN A 45 3.159 -25.444 -13.565 1.00 0.00 C ATOM 692 CG ASN A 45 2.873 -26.941 -13.620 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.732 -27.375 -13.492 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.906 -27.738 -13.824 1.00 0.00 N ATOM 0 H ASN A 45 4.382 -25.678 -10.436 1.00 0.00 H new ATOM 0 HA ASN A 45 3.626 -23.834 -12.259 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.320 -24.909 -14.010 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.035 -25.230 -14.178 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.768 -28.747 -13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.841 -27.344 -13.926 1.00 0.00 H new ATOM 701 N ALA A 46 1.145 -24.211 -11.411 1.00 0.00 N ATOM 702 CA ALA A 46 -0.096 -24.201 -10.590 1.00 0.00 C ATOM 703 C ALA A 46 -0.942 -25.477 -10.756 1.00 0.00 C ATOM 704 O ALA A 46 -1.677 -25.853 -9.835 1.00 0.00 O ATOM 705 CB ALA A 46 -0.949 -22.970 -10.920 1.00 0.00 C ATOM 0 H ALA A 46 1.177 -23.462 -12.103 1.00 0.00 H new ATOM 0 HA ALA A 46 0.227 -24.162 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.852 -22.979 -10.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.379 -22.065 -10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.223 -22.989 -11.975 1.00 0.00 H new ATOM 711 N ALA A 47 -0.826 -26.139 -11.922 1.00 0.00 N ATOM 712 CA ALA A 47 -1.621 -27.344 -12.231 1.00 0.00 C ATOM 713 C ALA A 47 -1.289 -28.496 -11.279 1.00 0.00 C ATOM 714 O ALA A 47 -2.167 -29.260 -10.891 1.00 0.00 O ATOM 715 CB ALA A 47 -1.412 -27.792 -13.676 1.00 0.00 C ATOM 0 H ALA A 47 -0.188 -25.860 -12.668 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.668 -27.074 -12.096 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.011 -28.681 -13.871 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.717 -26.993 -14.352 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.359 -28.022 -13.837 1.00 0.00 H new ATOM 721 N GLU A 48 -0.005 -28.624 -10.936 1.00 0.00 N ATOM 722 CA GLU A 48 0.469 -29.652 -9.996 1.00 0.00 C ATOM 723 C GLU A 48 0.163 -29.250 -8.535 1.00 0.00 C ATOM 724 O GLU A 48 -0.080 -30.109 -7.678 1.00 0.00 O ATOM 725 CB GLU A 48 1.979 -29.891 -10.206 1.00 0.00 C ATOM 726 CG GLU A 48 2.375 -30.131 -11.669 1.00 0.00 C ATOM 727 CD GLU A 48 3.834 -30.571 -11.828 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.723 -29.701 -11.850 1.00 0.00 O ATOM 729 OE2 GLU A 48 4.101 -31.787 -11.932 1.00 0.00 O ATOM 0 H GLU A 48 0.735 -28.023 -11.298 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.062 -30.583 -10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.529 -29.029 -9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.287 -30.751 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.723 -30.893 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.213 -29.216 -12.239 1.00 0.00 H new ATOM 736 N ILE A 49 0.168 -27.925 -8.283 1.00 0.00 N ATOM 737 CA ILE A 49 -0.048 -27.343 -6.941 1.00 0.00 C ATOM 738 C ILE A 49 -1.502 -27.555 -6.466 1.00 0.00 C ATOM 739 O ILE A 49 -1.732 -27.872 -5.286 1.00 0.00 O ATOM 740 CB ILE A 49 0.310 -25.809 -6.942 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.803 -25.600 -7.347 1.00 0.00 C ATOM 742 CG2 ILE A 49 0.014 -25.145 -5.578 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.251 -24.161 -7.515 1.00 0.00 C ATOM 0 H ILE A 49 0.323 -27.225 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 49 0.612 -27.858 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.327 -25.323 -7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.433 -26.070 -6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.982 -26.127 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.276 -24.088 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.046 -25.247 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.604 -25.631 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.304 -24.138 -7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.657 -23.684 -8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.115 -23.626 -6.575 1.00 0.00 H new ATOM 755 N ARG A 50 -2.476 -27.376 -7.390 1.00 0.00 N ATOM 756 CA ARG A 50 -3.909 -27.584 -7.082 1.00 0.00 C ATOM 757 C ARG A 50 -4.159 -29.053 -6.700 1.00 0.00 C ATOM 758 O ARG A 50 -4.780 -29.307 -5.678 1.00 0.00 O ATOM 759 CB ARG A 50 -4.831 -27.131 -8.257 1.00 0.00 C ATOM 760 CG ARG A 50 -4.604 -27.863 -9.593 1.00 0.00 C ATOM 761 CD ARG A 50 -5.297 -27.197 -10.801 1.00 0.00 C ATOM 762 NE ARG A 50 -4.714 -25.871 -11.096 1.00 0.00 N ATOM 763 CZ ARG A 50 -4.584 -25.316 -12.311 1.00 0.00 C ATOM 764 NH1 ARG A 50 -4.982 -25.952 -13.404 1.00 0.00 N ATOM 765 NH2 ARG A 50 -4.032 -24.122 -12.420 1.00 0.00 N ATOM 0 H ARG A 50 -2.295 -27.089 -8.352 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.166 -26.956 -6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.869 -27.271 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.687 -26.063 -8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.533 -27.919 -9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.965 -28.887 -9.500 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.203 -27.840 -11.676 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.362 -27.090 -10.597 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.379 -25.327 -10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.396 -26.881 -13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.874 -25.512 -14.318 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.710 -23.631 -11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.928 -23.690 -13.338 1.00 0.00 H new ATOM 779 N VAL A 51 -3.593 -30.000 -7.491 1.00 0.00 N ATOM 780 CA VAL A 51 -3.710 -31.465 -7.240 1.00 0.00 C ATOM 781 C VAL A 51 -3.233 -31.803 -5.812 1.00 0.00 C ATOM 782 O VAL A 51 -3.997 -32.336 -5.005 1.00 0.00 O ATOM 783 CB VAL A 51 -2.874 -32.298 -8.287 1.00 0.00 C ATOM 784 CG1 VAL A 51 -2.954 -33.826 -8.009 1.00 0.00 C ATOM 785 CG2 VAL A 51 -3.321 -31.979 -9.731 1.00 0.00 C ATOM 0 H VAL A 51 -3.043 -29.773 -8.320 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.761 -31.735 -7.347 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.831 -32.001 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.365 -34.362 -8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.561 -34.036 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.993 -34.152 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.729 -32.566 -10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.376 -32.228 -9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.174 -30.918 -9.931 1.00 0.00 H new ATOM 795 N ARG A 52 -1.987 -31.386 -5.525 1.00 0.00 N ATOM 796 CA ARG A 52 -1.293 -31.611 -4.235 1.00 0.00 C ATOM 797 C ARG A 52 -2.147 -31.151 -3.031 1.00 0.00 C ATOM 798 O ARG A 52 -2.251 -31.854 -2.018 1.00 0.00 O ATOM 799 CB ARG A 52 0.059 -30.836 -4.257 1.00 0.00 C ATOM 800 CG ARG A 52 0.961 -31.007 -3.015 1.00 0.00 C ATOM 801 CD ARG A 52 1.621 -32.392 -2.945 1.00 0.00 C ATOM 802 NE ARG A 52 2.482 -32.666 -4.121 1.00 0.00 N ATOM 803 CZ ARG A 52 3.720 -33.180 -4.086 1.00 0.00 C ATOM 804 NH1 ARG A 52 4.302 -33.499 -2.937 1.00 0.00 N ATOM 805 NH2 ARG A 52 4.378 -33.378 -5.214 1.00 0.00 N ATOM 0 H ARG A 52 -1.417 -30.871 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.120 -32.681 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.621 -31.152 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.156 -29.775 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.736 -30.240 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.367 -30.847 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.219 -32.462 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.848 -33.157 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 52 2.098 -32.443 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.807 -33.354 -2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.245 -33.889 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.944 -33.140 -6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.320 -33.769 -5.193 1.00 0.00 H new ATOM 819 N HIS A 53 -2.758 -29.963 -3.172 1.00 0.00 N ATOM 820 CA HIS A 53 -3.543 -29.334 -2.100 1.00 0.00 C ATOM 821 C HIS A 53 -4.947 -29.958 -1.969 1.00 0.00 C ATOM 822 O HIS A 53 -5.434 -30.072 -0.862 1.00 0.00 O ATOM 823 CB HIS A 53 -3.606 -27.790 -2.275 1.00 0.00 C ATOM 824 CG HIS A 53 -2.319 -27.088 -1.912 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.608 -26.294 -2.785 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.621 -27.071 -0.745 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.533 -25.825 -2.179 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.518 -26.280 -0.945 1.00 0.00 N ATOM 0 H HIS A 53 -2.721 -29.414 -4.031 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.026 -29.533 -1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.856 -27.560 -3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.412 -27.395 -1.657 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.872 -26.099 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.885 -27.584 0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.209 -25.177 -2.622 1.00 0.00 H new ATOM 837 N ILE A 54 -5.582 -30.383 -3.085 1.00 0.00 N ATOM 838 CA ILE A 54 -6.909 -31.057 -3.043 1.00 0.00 C ATOM 839 C ILE A 54 -6.800 -32.354 -2.221 1.00 0.00 C ATOM 840 O ILE A 54 -7.618 -32.612 -1.332 1.00 0.00 O ATOM 841 CB ILE A 54 -7.453 -31.365 -4.497 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.735 -30.039 -5.271 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.725 -32.255 -4.472 1.00 0.00 C ATOM 844 CD1 ILE A 54 -8.059 -30.208 -6.745 1.00 0.00 C ATOM 0 H ILE A 54 -5.202 -30.274 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.622 -30.383 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.675 -31.923 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.567 -29.525 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.864 -29.391 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.061 -32.439 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.495 -33.205 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.514 -31.747 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.239 -29.230 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.221 -30.689 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.950 -30.826 -6.853 1.00 0.00 H new ATOM 856 N GLU A 55 -5.730 -33.117 -2.498 1.00 0.00 N ATOM 857 CA GLU A 55 -5.427 -34.390 -1.810 1.00 0.00 C ATOM 858 C GLU A 55 -5.148 -34.165 -0.309 1.00 0.00 C ATOM 859 O GLU A 55 -5.457 -35.019 0.526 1.00 0.00 O ATOM 860 CB GLU A 55 -4.212 -35.079 -2.481 1.00 0.00 C ATOM 861 CG GLU A 55 -4.382 -35.316 -3.991 1.00 0.00 C ATOM 862 CD GLU A 55 -3.179 -36.012 -4.643 1.00 0.00 C ATOM 863 OE1 GLU A 55 -2.109 -35.372 -4.781 1.00 0.00 O ATOM 864 OE2 GLU A 55 -3.294 -37.201 -5.022 1.00 0.00 O ATOM 0 H GLU A 55 -5.044 -32.869 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.301 -35.036 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.325 -34.468 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.034 -36.036 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.274 -35.919 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.548 -34.358 -4.484 1.00 0.00 H new ATOM 871 N ARG A 56 -4.557 -33.005 0.019 1.00 0.00 N ATOM 872 CA ARG A 56 -4.211 -32.659 1.408 1.00 0.00 C ATOM 873 C ARG A 56 -5.376 -31.954 2.140 1.00 0.00 C ATOM 874 O ARG A 56 -5.374 -31.872 3.367 1.00 0.00 O ATOM 875 CB ARG A 56 -2.901 -31.824 1.440 1.00 0.00 C ATOM 876 CG ARG A 56 -2.176 -31.792 2.816 1.00 0.00 C ATOM 877 CD ARG A 56 -2.009 -33.208 3.438 1.00 0.00 C ATOM 878 NE ARG A 56 -1.409 -34.201 2.506 1.00 0.00 N ATOM 879 CZ ARG A 56 -1.960 -35.390 2.150 1.00 0.00 C ATOM 880 NH1 ARG A 56 -3.170 -35.744 2.569 1.00 0.00 N ATOM 881 NH2 ARG A 56 -1.289 -36.210 1.364 1.00 0.00 N ATOM 0 H ARG A 56 -4.308 -32.288 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.034 -33.584 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.215 -32.224 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.133 -30.801 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.194 -31.335 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.739 -31.161 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.384 -33.133 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.984 -33.570 3.763 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.504 -33.968 2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.705 -35.118 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.564 -36.642 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.362 -35.949 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.697 -37.105 1.093 1.00 0.00 H new ATOM 895 N PHE A 57 -6.369 -31.460 1.385 1.00 0.00 N ATOM 896 CA PHE A 57 -7.608 -30.882 1.955 1.00 0.00 C ATOM 897 C PHE A 57 -8.652 -31.993 2.225 1.00 0.00 C ATOM 898 O PHE A 57 -9.723 -31.722 2.777 1.00 0.00 O ATOM 899 CB PHE A 57 -8.182 -29.766 1.021 1.00 0.00 C ATOM 900 CG PHE A 57 -7.479 -28.393 1.089 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.128 -28.259 1.423 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.183 -27.229 0.788 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.521 -27.018 1.452 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.575 -25.987 0.823 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.248 -25.883 1.153 1.00 0.00 C ATOM 0 H PHE A 57 -6.342 -31.447 0.365 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.366 -30.416 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.137 -30.123 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.235 -29.624 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.550 -29.139 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.227 -27.298 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.475 -26.936 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.145 -25.100 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.772 -24.914 1.179 1.00 0.00 H new ATOM 915 N LYS A 58 -8.327 -33.246 1.827 1.00 0.00 N ATOM 916 CA LYS A 58 -9.115 -34.444 2.193 1.00 0.00 C ATOM 917 C LYS A 58 -8.982 -34.772 3.693 1.00 0.00 C ATOM 918 O LYS A 58 -9.823 -35.497 4.248 1.00 0.00 O ATOM 919 CB LYS A 58 -8.670 -35.676 1.356 1.00 0.00 C ATOM 920 CG LYS A 58 -8.746 -35.474 -0.169 1.00 0.00 C ATOM 921 CD LYS A 58 -10.149 -35.058 -0.658 1.00 0.00 C ATOM 922 CE LYS A 58 -10.161 -34.708 -2.147 1.00 0.00 C ATOM 923 NZ LYS A 58 -11.503 -34.275 -2.602 1.00 0.00 N ATOM 0 H LYS A 58 -7.515 -33.453 1.246 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.159 -34.218 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.645 -35.931 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.293 -36.528 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.025 -34.712 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.454 -36.399 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.852 -35.869 -0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.493 -34.199 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.439 -33.914 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.843 -35.575 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.469 -34.047 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.188 -35.041 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.796 -33.432 -2.067 1.00 0.00 H new ATOM 937 N GLU A 59 -7.913 -34.250 4.327 1.00 0.00 N ATOM 938 CA GLU A 59 -7.638 -34.457 5.759 1.00 0.00 C ATOM 939 C GLU A 59 -8.730 -33.776 6.620 1.00 0.00 C ATOM 940 O GLU A 59 -8.922 -32.558 6.506 1.00 0.00 O ATOM 941 CB GLU A 59 -6.239 -33.889 6.137 1.00 0.00 C ATOM 942 CG GLU A 59 -5.058 -34.430 5.309 1.00 0.00 C ATOM 943 CD GLU A 59 -4.919 -35.963 5.352 1.00 0.00 C ATOM 944 OE1 GLU A 59 -4.389 -36.494 6.357 1.00 0.00 O ATOM 945 OE2 GLU A 59 -5.334 -36.639 4.385 1.00 0.00 O ATOM 0 H GLU A 59 -7.216 -33.672 3.857 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.646 -35.529 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.266 -32.804 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.051 -34.104 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.178 -34.114 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.135 -33.980 5.674 1.00 0.00 H new ATOM 952 N PRO A 60 -9.482 -34.544 7.474 1.00 0.00 N ATOM 953 CA PRO A 60 -10.459 -33.951 8.417 1.00 0.00 C ATOM 954 C PRO A 60 -9.771 -33.281 9.628 1.00 0.00 C ATOM 955 O PRO A 60 -10.376 -32.445 10.309 1.00 0.00 O ATOM 956 CB PRO A 60 -11.327 -35.160 8.833 1.00 0.00 C ATOM 957 CG PRO A 60 -10.412 -36.341 8.712 1.00 0.00 C ATOM 958 CD PRO A 60 -9.471 -36.036 7.559 1.00 0.00 C ATOM 0 HA PRO A 60 -11.042 -33.146 7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.699 -35.049 9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.197 -35.265 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.856 -36.498 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.978 -37.253 8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.468 -36.418 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.815 -36.492 6.631 1.00 0.00 H new ATOM 966 N ASP A 61 -8.496 -33.650 9.871 1.00 0.00 N ATOM 967 CA ASP A 61 -7.694 -33.102 10.978 1.00 0.00 C ATOM 968 C ASP A 61 -7.094 -31.735 10.594 1.00 0.00 C ATOM 969 O ASP A 61 -6.805 -30.926 11.471 1.00 0.00 O ATOM 970 CB ASP A 61 -6.575 -34.105 11.386 1.00 0.00 C ATOM 971 CG ASP A 61 -5.891 -33.754 12.727 1.00 0.00 C ATOM 972 OD1 ASP A 61 -6.587 -33.731 13.774 1.00 0.00 O ATOM 973 OD2 ASP A 61 -4.662 -33.543 12.752 1.00 0.00 O ATOM 0 H ASP A 61 -7.997 -34.336 9.304 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.349 -32.952 11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.003 -35.105 11.456 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.821 -34.135 10.600 1.00 0.00 H new ATOM 978 N LEU A 62 -6.960 -31.481 9.268 1.00 0.00 N ATOM 979 CA LEU A 62 -6.332 -30.258 8.724 1.00 0.00 C ATOM 980 C LEU A 62 -7.015 -28.974 9.247 1.00 0.00 C ATOM 981 O LEU A 62 -8.244 -28.856 9.211 1.00 0.00 O ATOM 982 CB LEU A 62 -6.387 -30.272 7.173 1.00 0.00 C ATOM 983 CG LEU A 62 -5.624 -29.112 6.452 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.096 -29.274 6.605 1.00 0.00 C ATOM 985 CD2 LEU A 62 -6.028 -29.002 4.966 1.00 0.00 C ATOM 0 H LEU A 62 -7.287 -32.123 8.546 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.295 -30.252 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.981 -31.221 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.432 -30.240 6.865 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.913 -28.179 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.590 -28.454 6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.833 -29.260 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.785 -30.222 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.477 -28.185 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.794 -29.936 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.098 -28.807 4.893 1.00 0.00 H new ATOM 997 N TYR A 63 -6.204 -28.034 9.749 1.00 0.00 N ATOM 998 CA TYR A 63 -6.669 -26.712 10.196 1.00 0.00 C ATOM 999 C TYR A 63 -5.539 -25.683 10.027 1.00 0.00 C ATOM 1000 O TYR A 63 -4.362 -26.009 10.203 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.176 -26.774 11.668 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.488 -25.408 12.315 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.513 -24.586 11.834 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.747 -24.940 13.401 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -8.778 -23.356 12.412 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.016 -23.719 13.982 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.025 -22.930 13.487 1.00 0.00 C ATOM 1008 OH TYR A 63 -8.266 -21.697 14.059 1.00 0.00 O ATOM 0 H TYR A 63 -5.199 -28.169 9.858 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.512 -26.399 9.579 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.077 -27.387 11.699 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.424 -27.281 12.273 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.109 -24.917 10.996 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.946 -25.547 13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.570 -22.733 12.023 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.433 -23.383 14.827 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.647 -21.556 14.805 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.922 -24.448 9.666 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.989 -23.337 9.515 1.00 0.00 C ATOM 1020 C GLY A 64 -5.175 -22.294 10.597 1.00 0.00 C ATOM 1021 O GLY A 64 -6.261 -21.715 10.718 1.00 0.00 O ATOM 0 H GLY A 64 -6.892 -24.199 9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.967 -23.714 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.129 -22.875 8.538 1.00 0.00 H new ATOM 1025 N GLU A 65 -4.124 -22.070 11.401 1.00 0.00 N ATOM 1026 CA GLU A 65 -4.133 -21.068 12.476 1.00 0.00 C ATOM 1027 C GLU A 65 -2.932 -20.143 12.292 1.00 0.00 C ATOM 1028 O GLU A 65 -1.820 -20.497 12.672 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.063 -21.785 13.851 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.217 -20.870 15.083 1.00 0.00 C ATOM 1031 CD GLU A 65 -4.144 -21.645 16.410 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -5.105 -22.384 16.726 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -3.132 -21.526 17.138 1.00 0.00 O ATOM 0 H GLU A 65 -3.244 -22.579 11.323 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.050 -20.479 12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.843 -22.546 13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.107 -22.304 13.923 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.435 -20.111 15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.171 -20.346 15.025 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.156 -18.955 11.713 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.065 -18.014 11.443 1.00 0.00 C ATOM 1042 C LEU A 66 -1.705 -17.242 12.718 1.00 0.00 C ATOM 1043 O LEU A 66 -2.581 -16.860 13.505 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.412 -17.073 10.258 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.202 -16.247 9.675 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -1.322 -16.081 8.142 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.065 -14.860 10.345 1.00 0.00 C ATOM 0 H LEU A 66 -4.078 -18.626 11.425 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.183 -18.577 11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.842 -17.671 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.183 -16.375 10.584 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.302 -16.819 9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.473 -15.507 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.331 -17.063 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.247 -15.555 7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.218 -14.328 9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.977 -14.285 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.903 -14.987 11.415 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.399 -17.037 12.907 1.00 0.00 N ATOM 1060 CA LEU A 67 0.173 -16.442 14.129 1.00 0.00 C ATOM 1061 C LEU A 67 0.696 -15.038 13.811 1.00 0.00 C ATOM 1062 O LEU A 67 0.353 -14.052 14.467 1.00 0.00 O ATOM 1063 CB LEU A 67 1.357 -17.338 14.605 1.00 0.00 C ATOM 1064 CG LEU A 67 1.150 -18.874 14.427 1.00 0.00 C ATOM 1065 CD1 LEU A 67 2.468 -19.631 14.594 1.00 0.00 C ATOM 1066 CD2 LEU A 67 0.047 -19.410 15.363 1.00 0.00 C ATOM 0 H LEU A 67 0.304 -17.281 12.210 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.587 -16.377 14.908 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.254 -17.044 14.060 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.543 -17.134 15.659 1.00 0.00 H new ATOM 0 HG LEU A 67 0.806 -19.049 13.407 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.293 -20.699 14.465 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.182 -19.287 13.846 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.869 -19.447 15.591 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.069 -20.483 15.211 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.324 -19.218 16.399 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.895 -18.908 15.141 1.00 0.00 H new ATOM 1078 N THR A 68 1.521 -14.996 12.756 1.00 0.00 N ATOM 1079 CA THR A 68 2.283 -13.812 12.344 1.00 0.00 C ATOM 1080 C THR A 68 2.451 -13.803 10.813 1.00 0.00 C ATOM 1081 O THR A 68 2.670 -14.855 10.218 1.00 0.00 O ATOM 1082 CB THR A 68 3.693 -13.834 13.040 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.542 -13.692 14.462 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.659 -12.756 12.516 1.00 0.00 C ATOM 0 H THR A 68 1.680 -15.803 12.153 1.00 0.00 H new ATOM 0 HA THR A 68 1.746 -12.912 12.643 1.00 0.00 H new ATOM 0 HB THR A 68 4.137 -14.799 12.795 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.424 -13.708 14.888 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.610 -12.833 13.042 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.822 -12.902 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.229 -11.769 12.686 1.00 0.00 H new ATOM 1092 N ARG A 69 2.323 -12.619 10.189 1.00 0.00 N ATOM 1093 CA ARG A 69 2.692 -12.403 8.777 1.00 0.00 C ATOM 1094 C ARG A 69 3.561 -11.134 8.655 1.00 0.00 C ATOM 1095 O ARG A 69 3.140 -10.042 9.052 1.00 0.00 O ATOM 1096 CB ARG A 69 1.441 -12.333 7.846 1.00 0.00 C ATOM 1097 CG ARG A 69 0.348 -11.337 8.285 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.712 -11.092 7.195 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.859 -10.332 7.729 1.00 0.00 N ATOM 1100 CZ ARG A 69 -2.500 -9.329 7.116 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -2.070 -8.830 5.961 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -3.560 -8.797 7.697 1.00 0.00 N ATOM 0 H ARG A 69 1.961 -11.784 10.649 1.00 0.00 H new ATOM 0 HA ARG A 69 3.274 -13.262 8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.770 -12.066 6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.999 -13.327 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.142 -11.715 9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.814 -10.388 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.265 -10.545 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.058 -12.047 6.799 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.196 -10.596 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.233 -9.212 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.577 -8.066 5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.879 -9.151 8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.060 -8.032 7.244 1.00 0.00 H new ATOM 1116 N VAL A 70 4.805 -11.304 8.153 1.00 0.00 N ATOM 1117 CA VAL A 70 5.748 -10.200 7.892 1.00 0.00 C ATOM 1118 C VAL A 70 6.025 -10.123 6.380 1.00 0.00 C ATOM 1119 O VAL A 70 6.359 -11.128 5.758 1.00 0.00 O ATOM 1120 CB VAL A 70 7.092 -10.347 8.726 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.788 -10.369 10.238 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.925 -11.592 8.329 1.00 0.00 C ATOM 0 H VAL A 70 5.183 -12.221 7.916 1.00 0.00 H new ATOM 0 HA VAL A 70 5.292 -9.267 8.223 1.00 0.00 H new ATOM 0 HB VAL A 70 7.700 -9.475 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.719 -10.470 10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.294 -9.440 10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.136 -11.212 10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.829 -11.633 8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.335 -12.493 8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.198 -11.527 7.276 1.00 0.00 H new ATOM 1132 N ILE A 71 5.850 -8.939 5.776 1.00 0.00 N ATOM 1133 CA ILE A 71 6.021 -8.762 4.314 1.00 0.00 C ATOM 1134 C ILE A 71 7.208 -7.828 3.991 1.00 0.00 C ATOM 1135 O ILE A 71 7.375 -6.767 4.599 1.00 0.00 O ATOM 1136 CB ILE A 71 4.704 -8.261 3.601 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.962 -8.032 2.071 1.00 0.00 C ATOM 1138 CG2 ILE A 71 4.130 -6.995 4.283 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.734 -7.759 1.250 1.00 0.00 C ATOM 0 H ILE A 71 5.590 -8.086 6.271 1.00 0.00 H new ATOM 0 HA ILE A 71 6.244 -9.751 3.913 1.00 0.00 H new ATOM 0 HB ILE A 71 3.948 -9.040 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.650 -7.195 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.461 -8.913 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.224 -6.681 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.893 -7.218 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.868 -6.194 4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.018 -7.615 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.050 -8.604 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.242 -6.859 1.620 1.00 0.00 H new ATOM 1151 N VAL A 72 8.036 -8.285 3.041 1.00 0.00 N ATOM 1152 CA VAL A 72 9.145 -7.535 2.450 1.00 0.00 C ATOM 1153 C VAL A 72 8.854 -7.369 0.942 1.00 0.00 C ATOM 1154 O VAL A 72 8.978 -8.331 0.190 1.00 0.00 O ATOM 1155 CB VAL A 72 10.505 -8.313 2.664 1.00 0.00 C ATOM 1156 CG1 VAL A 72 11.694 -7.610 1.959 1.00 0.00 C ATOM 1157 CG2 VAL A 72 10.788 -8.533 4.172 1.00 0.00 C ATOM 0 H VAL A 72 7.945 -9.223 2.651 1.00 0.00 H new ATOM 0 HA VAL A 72 9.239 -6.559 2.926 1.00 0.00 H new ATOM 0 HB VAL A 72 10.396 -9.292 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.608 -8.179 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.500 -7.553 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.811 -6.603 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.729 -9.070 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.855 -7.568 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.979 -9.116 4.613 1.00 0.00 H new ATOM 1167 N GLY A 73 8.415 -6.165 0.527 1.00 0.00 N ATOM 1168 CA GLY A 73 8.196 -5.848 -0.898 1.00 0.00 C ATOM 1169 C GLY A 73 7.150 -6.739 -1.582 1.00 0.00 C ATOM 1170 O GLY A 73 5.941 -6.556 -1.371 1.00 0.00 O ATOM 0 H GLY A 73 8.204 -5.394 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.884 -4.807 -0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.143 -5.942 -1.430 1.00 0.00 H new ATOM 1174 N ASN A 74 7.624 -7.727 -2.386 1.00 0.00 N ATOM 1175 CA ASN A 74 6.740 -8.645 -3.153 1.00 0.00 C ATOM 1176 C ASN A 74 6.801 -10.097 -2.623 1.00 0.00 C ATOM 1177 O ASN A 74 6.414 -11.035 -3.325 1.00 0.00 O ATOM 1178 CB ASN A 74 7.065 -8.604 -4.682 1.00 0.00 C ATOM 1179 CG ASN A 74 8.395 -9.261 -5.083 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.383 -9.199 -4.357 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.419 -9.912 -6.245 1.00 0.00 N ATOM 0 H ASN A 74 8.619 -7.909 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 74 5.721 -8.287 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.257 -9.096 -5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.079 -7.564 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.274 -10.376 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.582 -9.947 -6.828 1.00 0.00 H new ATOM 1188 N VAL A 75 7.234 -10.270 -1.365 1.00 0.00 N ATOM 1189 CA VAL A 75 7.299 -11.598 -0.708 1.00 0.00 C ATOM 1190 C VAL A 75 6.745 -11.504 0.728 1.00 0.00 C ATOM 1191 O VAL A 75 7.053 -10.553 1.451 1.00 0.00 O ATOM 1192 CB VAL A 75 8.772 -12.180 -0.726 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.780 -11.321 0.081 1.00 0.00 C ATOM 1194 CG2 VAL A 75 8.802 -13.647 -0.258 1.00 0.00 C ATOM 0 H VAL A 75 7.549 -9.502 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 75 6.677 -12.294 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 75 9.096 -12.141 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.769 -11.775 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.819 -10.316 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.461 -11.268 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.827 -14.016 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.417 -13.712 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.183 -14.253 -0.920 1.00 0.00 H new ATOM 1204 N VAL A 76 5.897 -12.475 1.127 1.00 0.00 N ATOM 1205 CA VAL A 76 5.310 -12.533 2.485 1.00 0.00 C ATOM 1206 C VAL A 76 5.768 -13.822 3.193 1.00 0.00 C ATOM 1207 O VAL A 76 5.818 -14.884 2.578 1.00 0.00 O ATOM 1208 CB VAL A 76 3.728 -12.501 2.468 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.144 -12.321 3.901 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.187 -11.406 1.523 1.00 0.00 C ATOM 0 H VAL A 76 5.600 -13.239 0.520 1.00 0.00 H new ATOM 0 HA VAL A 76 5.658 -11.648 3.018 1.00 0.00 H new ATOM 0 HB VAL A 76 3.398 -13.467 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.055 -12.303 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.465 -13.150 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.503 -11.383 4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.097 -11.417 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.545 -10.431 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.536 -11.596 0.508 1.00 0.00 H new ATOM 1220 N ILE A 77 6.122 -13.684 4.478 1.00 0.00 N ATOM 1221 CA ILE A 77 6.282 -14.797 5.413 1.00 0.00 C ATOM 1222 C ILE A 77 4.984 -14.859 6.223 1.00 0.00 C ATOM 1223 O ILE A 77 4.756 -14.016 7.086 1.00 0.00 O ATOM 1224 CB ILE A 77 7.496 -14.535 6.403 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.876 -14.534 5.671 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.505 -15.510 7.616 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.458 -15.907 5.401 1.00 0.00 C ATOM 0 H ILE A 77 6.308 -12.775 4.902 1.00 0.00 H new ATOM 0 HA ILE A 77 6.484 -15.724 4.876 1.00 0.00 H new ATOM 0 HB ILE A 77 7.338 -13.532 6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.767 -14.009 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.588 -13.965 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.356 -15.284 8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.582 -15.394 8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.583 -16.536 7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.415 -15.802 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.606 -16.432 6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.772 -16.476 4.773 1.00 0.00 H new ATOM 1239 N ASP A 78 4.114 -15.802 5.899 1.00 0.00 N ATOM 1240 CA ASP A 78 2.930 -16.119 6.705 1.00 0.00 C ATOM 1241 C ASP A 78 3.234 -17.397 7.490 1.00 0.00 C ATOM 1242 O ASP A 78 3.305 -18.501 6.944 1.00 0.00 O ATOM 1243 CB ASP A 78 1.645 -16.223 5.827 1.00 0.00 C ATOM 1244 CG ASP A 78 1.824 -17.046 4.541 1.00 0.00 C ATOM 1245 OD1 ASP A 78 2.522 -16.554 3.623 1.00 0.00 O ATOM 1246 OD2 ASP A 78 1.257 -18.156 4.437 1.00 0.00 O ATOM 0 H ASP A 78 4.204 -16.378 5.062 1.00 0.00 H new ATOM 0 HA ASP A 78 2.716 -15.314 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.848 -16.668 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.319 -15.218 5.559 1.00 0.00 H new ATOM 1251 N HIS A 79 3.473 -17.212 8.790 1.00 0.00 N ATOM 1252 CA HIS A 79 3.868 -18.272 9.707 1.00 0.00 C ATOM 1253 C HIS A 79 2.618 -18.744 10.461 1.00 0.00 C ATOM 1254 O HIS A 79 2.074 -18.024 11.317 1.00 0.00 O ATOM 1255 CB HIS A 79 4.971 -17.737 10.666 1.00 0.00 C ATOM 1256 CG HIS A 79 5.476 -18.736 11.685 1.00 0.00 C ATOM 1257 ND1 HIS A 79 5.328 -18.563 13.043 1.00 0.00 N ATOM 1258 CD2 HIS A 79 6.163 -19.897 11.537 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.886 -19.571 13.683 1.00 0.00 C ATOM 1260 NE2 HIS A 79 6.402 -20.394 12.794 1.00 0.00 N ATOM 0 H HIS A 79 3.394 -16.300 9.240 1.00 0.00 H new ATOM 0 HA HIS A 79 4.289 -19.124 9.174 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.815 -17.393 10.068 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.580 -16.868 11.195 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.466 -20.347 10.603 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.915 -19.700 14.755 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.898 -21.260 13.005 1.00 0.00 H new ATOM 1269 N GLU A 80 2.155 -19.946 10.088 1.00 0.00 N ATOM 1270 CA GLU A 80 0.978 -20.601 10.669 1.00 0.00 C ATOM 1271 C GLU A 80 1.392 -21.720 11.629 1.00 0.00 C ATOM 1272 O GLU A 80 2.575 -22.011 11.803 1.00 0.00 O ATOM 1273 CB GLU A 80 0.062 -21.212 9.575 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.578 -20.207 8.600 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.692 -20.851 7.757 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -2.693 -21.307 8.364 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -1.586 -20.909 6.515 1.00 0.00 O ATOM 0 H GLU A 80 2.600 -20.501 9.357 1.00 0.00 H new ATOM 0 HA GLU A 80 0.429 -19.829 11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.646 -21.929 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.735 -21.772 10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.988 -19.368 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.190 -19.804 7.939 1.00 0.00 H new ATOM 1284 N THR A 81 0.384 -22.260 12.310 1.00 0.00 N ATOM 1285 CA THR A 81 0.423 -23.560 12.960 1.00 0.00 C ATOM 1286 C THR A 81 -0.619 -24.438 12.253 1.00 0.00 C ATOM 1287 O THR A 81 -1.830 -24.255 12.441 1.00 0.00 O ATOM 1288 CB THR A 81 0.127 -23.432 14.490 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.125 -22.596 15.093 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.112 -24.793 15.204 1.00 0.00 C ATOM 0 H THR A 81 -0.511 -21.785 12.426 1.00 0.00 H new ATOM 0 HA THR A 81 1.414 -24.007 12.882 1.00 0.00 H new ATOM 0 HB THR A 81 -0.866 -22.995 14.596 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.944 -22.510 16.052 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.098 -24.646 16.263 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.660 -25.425 14.765 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.083 -25.274 15.090 1.00 0.00 H new ATOM 1298 N VAL A 82 -0.137 -25.334 11.378 1.00 0.00 N ATOM 1299 CA VAL A 82 -0.994 -26.240 10.609 1.00 0.00 C ATOM 1300 C VAL A 82 -1.235 -27.523 11.408 1.00 0.00 C ATOM 1301 O VAL A 82 -0.308 -28.094 11.980 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.383 -26.576 9.194 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.077 -25.275 8.408 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.873 -27.487 9.273 1.00 0.00 C ATOM 0 H VAL A 82 0.858 -25.448 11.186 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.944 -25.735 10.434 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.140 -27.146 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.344 -25.528 7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.998 -24.709 8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.639 -24.672 8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.245 -27.681 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.647 -26.989 9.857 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.609 -28.431 9.751 1.00 0.00 H new ATOM 1314 N THR A 83 -2.485 -27.955 11.471 1.00 0.00 N ATOM 1315 CA THR A 83 -2.859 -29.183 12.158 1.00 0.00 C ATOM 1316 C THR A 83 -2.750 -30.372 11.186 1.00 0.00 C ATOM 1317 O THR A 83 -3.286 -30.319 10.071 1.00 0.00 O ATOM 1318 CB THR A 83 -4.294 -29.047 12.732 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.403 -27.822 13.486 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.674 -30.228 13.641 1.00 0.00 C ATOM 0 H THR A 83 -3.271 -27.463 11.046 1.00 0.00 H new ATOM 0 HA THR A 83 -2.180 -29.364 12.991 1.00 0.00 H new ATOM 0 HB THR A 83 -4.980 -29.040 11.885 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.245 -27.821 13.988 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.687 -30.086 14.018 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.625 -31.156 13.071 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.979 -30.280 14.479 1.00 0.00 H new ATOM 1328 N ARG A 84 -2.033 -31.417 11.616 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.773 -32.620 10.819 1.00 0.00 C ATOM 1330 C ARG A 84 -1.499 -33.773 11.795 1.00 0.00 C ATOM 1331 O ARG A 84 -0.950 -33.551 12.879 1.00 0.00 O ATOM 1332 CB ARG A 84 -0.588 -32.408 9.829 1.00 0.00 C ATOM 1333 CG ARG A 84 0.764 -32.051 10.489 1.00 0.00 C ATOM 1334 CD ARG A 84 1.905 -31.878 9.470 1.00 0.00 C ATOM 1335 NE ARG A 84 3.205 -31.672 10.137 1.00 0.00 N ATOM 1336 CZ ARG A 84 4.411 -31.811 9.557 1.00 0.00 C ATOM 1337 NH1 ARG A 84 4.519 -32.200 8.291 1.00 0.00 N ATOM 1338 NH2 ARG A 84 5.506 -31.570 10.265 1.00 0.00 N ATOM 0 H ARG A 84 -1.610 -31.450 12.544 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.639 -32.854 10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.459 -33.317 9.242 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.855 -31.614 9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.651 -31.129 11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.033 -32.834 11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.959 -32.759 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.689 -31.028 8.823 1.00 0.00 H new ATOM 0 HE ARG A 84 3.188 -31.402 11.120 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.680 -32.398 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.440 -32.301 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.429 -31.282 11.241 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.425 -31.673 9.834 1.00 0.00 H new ATOM 1352 N ASN A 85 -1.891 -34.993 11.426 1.00 0.00 N ATOM 1353 CA ASN A 85 -1.952 -36.119 12.373 1.00 0.00 C ATOM 1354 C ASN A 85 -0.556 -36.725 12.664 1.00 0.00 C ATOM 1355 O ASN A 85 0.017 -37.425 11.823 1.00 0.00 O ATOM 1356 CB ASN A 85 -2.927 -37.198 11.846 1.00 0.00 C ATOM 1357 CG ASN A 85 -3.295 -38.236 12.908 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -2.672 -39.294 13.022 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -4.283 -37.912 13.726 1.00 0.00 N ATOM 0 H ASN A 85 -2.173 -35.232 10.475 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.324 -35.733 13.322 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.836 -36.715 11.487 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.475 -37.703 10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.550 -38.546 14.479 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.778 -37.028 13.603 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.008 -36.401 13.847 1.00 0.00 N ATOM 1367 CA PHE A 86 1.145 -37.100 14.437 1.00 0.00 C ATOM 1368 C PHE A 86 0.604 -38.219 15.352 1.00 0.00 C ATOM 1369 O PHE A 86 -0.221 -37.934 16.223 1.00 0.00 O ATOM 1370 CB PHE A 86 2.047 -36.114 15.243 1.00 0.00 C ATOM 1371 CG PHE A 86 3.053 -35.334 14.393 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.626 -34.410 13.445 1.00 0.00 C ATOM 1373 CD2 PHE A 86 4.428 -35.538 14.538 1.00 0.00 C ATOM 1374 CE1 PHE A 86 3.533 -33.713 12.673 1.00 0.00 C ATOM 1375 CE2 PHE A 86 5.333 -34.840 13.758 1.00 0.00 C ATOM 1376 CZ PHE A 86 4.886 -33.927 12.829 1.00 0.00 C ATOM 0 H PHE A 86 -0.357 -35.638 14.427 1.00 0.00 H new ATOM 0 HA PHE A 86 1.765 -37.525 13.648 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.408 -35.405 15.769 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.591 -36.677 16.002 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.569 -34.235 13.311 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.788 -36.249 15.267 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.182 -32.998 11.944 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.392 -35.012 13.878 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.594 -33.380 12.224 1.00 0.00 H new ATOM 1386 N PRO A 87 1.066 -39.499 15.180 1.00 0.00 N ATOM 1387 CA PRO A 87 0.541 -40.672 15.938 1.00 0.00 C ATOM 1388 C PRO A 87 0.761 -40.589 17.473 1.00 0.00 C ATOM 1389 O PRO A 87 0.122 -41.334 18.228 1.00 0.00 O ATOM 1390 CB PRO A 87 1.319 -41.870 15.318 1.00 0.00 C ATOM 1391 CG PRO A 87 2.562 -41.256 14.757 1.00 0.00 C ATOM 1392 CD PRO A 87 2.127 -39.916 14.222 1.00 0.00 C ATOM 0 HA PRO A 87 -0.543 -40.749 15.848 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.553 -42.624 16.070 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.735 -42.364 14.542 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.328 -41.145 15.524 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.988 -41.877 13.969 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.952 -39.204 14.199 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.744 -39.993 13.204 1.00 0.00 H new ATOM 1400 N GLU A 88 1.659 -39.686 17.930 1.00 0.00 N ATOM 1401 CA GLU A 88 1.977 -39.540 19.374 1.00 0.00 C ATOM 1402 C GLU A 88 0.958 -38.636 20.091 1.00 0.00 C ATOM 1403 O GLU A 88 0.668 -38.849 21.276 1.00 0.00 O ATOM 1404 CB GLU A 88 3.432 -39.027 19.614 1.00 0.00 C ATOM 1405 CG GLU A 88 3.851 -37.749 18.836 1.00 0.00 C ATOM 1406 CD GLU A 88 4.651 -38.053 17.555 1.00 0.00 C ATOM 1407 OE1 GLU A 88 4.046 -38.444 16.541 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.896 -37.948 17.577 1.00 0.00 O ATOM 0 H GLU A 88 2.176 -39.049 17.324 1.00 0.00 H new ATOM 0 HA GLU A 88 1.909 -40.539 19.805 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.555 -38.834 20.680 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.124 -39.828 19.353 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.958 -37.183 18.573 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.450 -37.114 19.489 1.00 0.00 H new ATOM 1415 N GLY A 89 0.417 -37.642 19.368 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.533 -36.678 19.938 1.00 0.00 C ATOM 1417 C GLY A 89 -1.401 -36.047 18.866 1.00 0.00 C ATOM 1418 O GLY A 89 -1.919 -36.764 18.004 1.00 0.00 O ATOM 0 H GLY A 89 0.624 -37.486 18.382 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.166 -37.180 20.670 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.013 -35.899 20.469 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.605 -34.717 18.939 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.269 -33.957 17.877 1.00 0.00 C ATOM 1424 C LYS A 90 -1.342 -33.821 16.650 1.00 0.00 C ATOM 1425 O LYS A 90 -1.496 -34.578 15.687 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.750 -32.586 18.424 1.00 0.00 C ATOM 1427 CG LYS A 90 -3.400 -31.637 17.385 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.581 -32.259 16.609 1.00 0.00 C ATOM 1429 CE LYS A 90 -5.678 -32.853 17.511 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.923 -33.123 16.746 1.00 0.00 N ATOM 0 H LYS A 90 -1.314 -34.148 19.734 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.155 -34.496 17.541 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.469 -32.767 19.223 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.898 -32.075 18.872 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.749 -30.740 17.897 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.638 -31.321 16.672 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.024 -31.496 15.969 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.200 -33.042 15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.319 -33.778 17.962 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.893 -32.163 18.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.407 -33.950 17.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.550 -32.295 16.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.685 -33.313 15.752 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.372 -32.889 16.685 1.00 0.00 N ATOM 1445 CA GLY A 91 0.572 -32.735 15.569 1.00 0.00 C ATOM 1446 C GLY A 91 0.456 -31.408 14.853 1.00 0.00 C ATOM 1447 O GLY A 91 0.748 -31.307 13.655 1.00 0.00 O ATOM 0 H GLY A 91 -0.224 -32.243 17.460 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.588 -32.846 15.947 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.408 -33.540 14.852 1.00 0.00 H new ATOM 1451 N GLU A 92 0.063 -30.381 15.591 1.00 0.00 N ATOM 1452 CA GLU A 92 -0.214 -29.054 15.035 1.00 0.00 C ATOM 1453 C GLU A 92 1.106 -28.242 15.038 1.00 0.00 C ATOM 1454 O GLU A 92 1.516 -27.663 16.030 1.00 0.00 O ATOM 1455 CB GLU A 92 -1.403 -28.381 15.850 1.00 0.00 C ATOM 1456 CG GLU A 92 -1.140 -27.851 17.306 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.313 -28.780 18.243 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -0.656 -29.971 18.389 1.00 0.00 O ATOM 1459 OE2 GLU A 92 0.668 -28.302 18.864 1.00 0.00 O ATOM 0 H GLU A 92 -0.075 -30.439 16.600 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.554 -29.102 14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.771 -27.543 15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.212 -29.109 15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.624 -26.893 17.233 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.103 -27.659 17.779 1.00 0.00 H new ATOM 1466 N VAL A 93 1.779 -28.198 13.872 1.00 0.00 N ATOM 1467 CA VAL A 93 3.182 -27.742 13.776 1.00 0.00 C ATOM 1468 C VAL A 93 3.265 -26.338 13.185 1.00 0.00 C ATOM 1469 O VAL A 93 2.471 -25.975 12.314 1.00 0.00 O ATOM 1470 CB VAL A 93 4.067 -28.730 12.918 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.017 -30.160 13.490 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.676 -28.719 11.421 1.00 0.00 C ATOM 0 H VAL A 93 1.372 -28.474 12.978 1.00 0.00 H new ATOM 0 HA VAL A 93 3.575 -27.726 14.793 1.00 0.00 H new ATOM 0 HB VAL A 93 5.094 -28.371 12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.635 -30.818 12.879 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.392 -30.156 14.513 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.988 -30.519 13.483 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.313 -29.414 10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.634 -29.021 11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.805 -27.714 11.019 1.00 0.00 H new ATOM 1482 N ASP A 94 4.242 -25.560 13.662 1.00 0.00 N ATOM 1483 CA ASP A 94 4.503 -24.217 13.152 1.00 0.00 C ATOM 1484 C ASP A 94 5.268 -24.341 11.818 1.00 0.00 C ATOM 1485 O ASP A 94 6.190 -25.151 11.705 1.00 0.00 O ATOM 1486 CB ASP A 94 5.287 -23.372 14.194 1.00 0.00 C ATOM 1487 CG ASP A 94 6.766 -23.783 14.362 1.00 0.00 C ATOM 1488 OD1 ASP A 94 7.042 -24.950 14.722 1.00 0.00 O ATOM 1489 OD2 ASP A 94 7.655 -22.945 14.113 1.00 0.00 O ATOM 0 H ASP A 94 4.872 -25.846 14.412 1.00 0.00 H new ATOM 0 HA ASP A 94 3.563 -23.695 12.974 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.245 -22.323 13.900 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.788 -23.453 15.160 1.00 0.00 H new ATOM 1494 N VAL A 95 4.822 -23.604 10.790 1.00 0.00 N ATOM 1495 CA VAL A 95 5.407 -23.642 9.441 1.00 0.00 C ATOM 1496 C VAL A 95 5.536 -22.205 8.920 1.00 0.00 C ATOM 1497 O VAL A 95 4.551 -21.459 8.915 1.00 0.00 O ATOM 1498 CB VAL A 95 4.524 -24.474 8.429 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.187 -24.577 7.033 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.166 -25.869 8.983 1.00 0.00 C ATOM 0 H VAL A 95 4.037 -22.958 10.872 1.00 0.00 H new ATOM 0 HA VAL A 95 6.380 -24.128 9.511 1.00 0.00 H new ATOM 0 HB VAL A 95 3.590 -23.925 8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.547 -25.157 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.326 -23.577 6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.155 -25.069 7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.559 -26.405 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.081 -26.430 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.606 -25.759 9.911 1.00 0.00 H new ATOM 1510 N ALA A 96 6.754 -21.811 8.529 1.00 0.00 N ATOM 1511 CA ALA A 96 6.998 -20.544 7.831 1.00 0.00 C ATOM 1512 C ALA A 96 6.741 -20.736 6.327 1.00 0.00 C ATOM 1513 O ALA A 96 7.579 -21.308 5.616 1.00 0.00 O ATOM 1514 CB ALA A 96 8.431 -20.050 8.097 1.00 0.00 C ATOM 0 H ALA A 96 7.598 -22.362 8.688 1.00 0.00 H new ATOM 0 HA ALA A 96 6.316 -19.782 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.595 -19.109 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.570 -19.897 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.144 -20.793 7.741 1.00 0.00 H new ATOM 1520 N CYS A 97 5.563 -20.297 5.866 1.00 0.00 N ATOM 1521 CA CYS A 97 5.185 -20.353 4.453 1.00 0.00 C ATOM 1522 C CYS A 97 5.545 -19.006 3.816 1.00 0.00 C ATOM 1523 O CYS A 97 5.132 -17.957 4.302 1.00 0.00 O ATOM 1524 CB CYS A 97 3.677 -20.652 4.330 1.00 0.00 C ATOM 1525 SG CYS A 97 3.159 -22.161 5.177 1.00 0.00 S ATOM 0 H CYS A 97 4.845 -19.892 6.466 1.00 0.00 H new ATOM 0 HA CYS A 97 5.719 -21.150 3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.115 -19.809 4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.417 -20.732 3.274 1.00 0.00 H new ATOM 0 HG CYS A 97 1.879 -22.329 5.021 1.00 0.00 H new ATOM 1531 N ILE A 98 6.372 -19.050 2.770 1.00 0.00 N ATOM 1532 CA ILE A 98 6.943 -17.859 2.125 1.00 0.00 C ATOM 1533 C ILE A 98 6.595 -17.861 0.620 1.00 0.00 C ATOM 1534 O ILE A 98 6.994 -18.761 -0.122 1.00 0.00 O ATOM 1535 CB ILE A 98 8.504 -17.785 2.397 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.187 -16.628 1.592 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.202 -19.142 2.164 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.692 -16.477 1.807 1.00 0.00 C ATOM 0 H ILE A 98 6.670 -19.925 2.339 1.00 0.00 H new ATOM 0 HA ILE A 98 6.506 -16.957 2.554 1.00 0.00 H new ATOM 0 HB ILE A 98 8.625 -17.549 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.004 -16.790 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.703 -15.688 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.269 -19.041 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.777 -19.889 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.053 -19.455 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.064 -15.649 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.891 -16.278 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.196 -17.397 1.510 1.00 0.00 H new ATOM 1550 N TYR A 99 5.799 -16.861 0.189 1.00 0.00 N ATOM 1551 CA TYR A 99 5.298 -16.746 -1.199 1.00 0.00 C ATOM 1552 C TYR A 99 5.835 -15.478 -1.855 1.00 0.00 C ATOM 1553 O TYR A 99 5.679 -14.384 -1.306 1.00 0.00 O ATOM 1554 CB TYR A 99 3.748 -16.707 -1.221 1.00 0.00 C ATOM 1555 CG TYR A 99 3.097 -17.932 -0.581 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.798 -17.953 0.771 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.810 -19.071 -1.327 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.231 -19.067 1.362 1.00 0.00 C ATOM 1559 CE2 TYR A 99 2.240 -20.187 -0.742 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.954 -20.183 0.601 1.00 0.00 C ATOM 1561 OH TYR A 99 1.388 -21.298 1.184 1.00 0.00 O ATOM 0 H TYR A 99 5.483 -16.105 0.797 1.00 0.00 H new ATOM 0 HA TYR A 99 5.644 -17.619 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.408 -15.812 -0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.409 -16.624 -2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.012 -17.083 1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.037 -19.084 -2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.005 -19.063 2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.020 -21.059 -1.340 1.00 0.00 H new ATOM 0 HH TYR A 99 1.259 -21.992 0.505 1.00 0.00 H new ATOM 1571 N GLU A 100 6.449 -15.627 -3.036 1.00 0.00 N ATOM 1572 CA GLU A 100 6.881 -14.498 -3.861 1.00 0.00 C ATOM 1573 C GLU A 100 5.824 -14.262 -4.944 1.00 0.00 C ATOM 1574 O GLU A 100 5.634 -15.085 -5.853 1.00 0.00 O ATOM 1575 CB GLU A 100 8.272 -14.776 -4.472 1.00 0.00 C ATOM 1576 CG GLU A 100 8.879 -13.612 -5.282 1.00 0.00 C ATOM 1577 CD GLU A 100 10.321 -13.894 -5.749 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.509 -14.495 -6.832 1.00 0.00 O ATOM 1579 OE2 GLU A 100 11.277 -13.522 -5.033 1.00 0.00 O ATOM 0 H GLU A 100 6.659 -16.538 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 100 6.977 -13.598 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.960 -15.034 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.198 -15.649 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.252 -13.416 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.870 -12.708 -4.673 1.00 0.00 H new ATOM 1586 N VAL A 101 5.131 -13.138 -4.809 1.00 0.00 N ATOM 1587 CA VAL A 101 4.000 -12.754 -5.647 1.00 0.00 C ATOM 1588 C VAL A 101 4.465 -11.777 -6.743 1.00 0.00 C ATOM 1589 O VAL A 101 5.161 -10.792 -6.462 1.00 0.00 O ATOM 1590 CB VAL A 101 2.885 -12.096 -4.758 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.658 -11.623 -5.582 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.460 -13.057 -3.615 1.00 0.00 C ATOM 0 H VAL A 101 5.347 -12.446 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 101 3.588 -13.641 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 101 3.319 -11.199 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.921 -11.177 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.976 -10.883 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.213 -12.476 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.687 -12.583 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.071 -13.981 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.323 -13.282 -2.989 1.00 0.00 H new ATOM 1602 N GLU A 102 4.083 -12.077 -7.987 1.00 0.00 N ATOM 1603 CA GLU A 102 4.364 -11.242 -9.161 1.00 0.00 C ATOM 1604 C GLU A 102 3.050 -11.006 -9.948 1.00 0.00 C ATOM 1605 O GLU A 102 2.371 -11.970 -10.322 1.00 0.00 O ATOM 1606 CB GLU A 102 5.443 -11.942 -10.032 1.00 0.00 C ATOM 1607 CG GLU A 102 5.858 -11.210 -11.323 1.00 0.00 C ATOM 1608 CD GLU A 102 6.397 -9.788 -11.092 1.00 0.00 C ATOM 1609 OE1 GLU A 102 7.605 -9.637 -10.803 1.00 0.00 O ATOM 1610 OE2 GLU A 102 5.616 -8.813 -11.187 1.00 0.00 O ATOM 0 H GLU A 102 3.560 -12.923 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 102 4.751 -10.269 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.333 -12.089 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.075 -12.932 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.621 -11.798 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.998 -11.157 -11.991 1.00 0.00 H new ATOM 1617 N ASN A 103 2.709 -9.715 -10.174 1.00 0.00 N ATOM 1618 CA ASN A 103 1.469 -9.270 -10.876 1.00 0.00 C ATOM 1619 C ASN A 103 0.181 -9.690 -10.125 1.00 0.00 C ATOM 1620 O ASN A 103 -0.839 -10.018 -10.748 1.00 0.00 O ATOM 1621 CB ASN A 103 1.429 -9.759 -12.361 1.00 0.00 C ATOM 1622 CG ASN A 103 2.610 -9.263 -13.204 1.00 0.00 C ATOM 1623 OD1 ASN A 103 3.607 -10.113 -13.407 1.00 0.00 O flip ATOM 1624 ND2 ASN A 103 2.607 -8.136 -13.697 1.00 0.00 N flip ATOM 0 H ASN A 103 3.294 -8.936 -9.871 1.00 0.00 H new ATOM 0 HA ASN A 103 1.502 -8.181 -10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.416 -10.849 -12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.499 -9.423 -12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.825 -7.505 -13.522 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.387 -7.833 -14.281 1.00 0.00 H new ATOM 1631 N GLY A 104 0.225 -9.644 -8.777 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.934 -10.002 -7.931 1.00 0.00 C ATOM 1633 C GLY A 104 -1.224 -11.506 -7.880 1.00 0.00 C ATOM 1634 O GLY A 104 -2.218 -11.941 -7.284 1.00 0.00 O ATOM 0 H GLY A 104 1.052 -9.362 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.757 -9.641 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.818 -9.484 -8.304 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.339 -12.294 -8.507 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.426 -13.757 -8.573 1.00 0.00 C ATOM 1640 C ARG A 105 0.861 -14.341 -7.989 1.00 0.00 C ATOM 1641 O ARG A 105 1.939 -13.860 -8.308 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.574 -14.221 -10.046 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.888 -13.820 -10.745 1.00 0.00 C ATOM 1644 CD ARG A 105 -3.130 -14.458 -10.098 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.335 -14.294 -10.935 1.00 0.00 N ATOM 1646 CZ ARG A 105 -4.911 -15.261 -11.675 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.428 -16.500 -11.672 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -5.982 -14.984 -12.396 1.00 0.00 N ATOM 0 H ARG A 105 0.476 -11.921 -8.994 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.295 -14.098 -8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.259 -13.817 -10.620 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.485 -15.307 -10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.989 -12.735 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.840 -14.113 -11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.947 -15.519 -9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.303 -14.006 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.768 -13.371 -10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.612 -16.728 -11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.874 -17.223 -12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.370 -14.041 -12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.421 -15.713 -12.958 1.00 0.00 H new ATOM 1662 N ILE A 106 0.744 -15.364 -7.142 1.00 0.00 N ATOM 1663 CA ILE A 106 1.907 -16.042 -6.540 1.00 0.00 C ATOM 1664 C ILE A 106 2.706 -16.747 -7.640 1.00 0.00 C ATOM 1665 O ILE A 106 2.252 -17.746 -8.178 1.00 0.00 O ATOM 1666 CB ILE A 106 1.441 -17.076 -5.453 1.00 0.00 C ATOM 1667 CG1 ILE A 106 0.601 -16.356 -4.359 1.00 0.00 C ATOM 1668 CG2 ILE A 106 2.638 -17.840 -4.831 1.00 0.00 C ATOM 1669 CD1 ILE A 106 -0.049 -17.280 -3.357 1.00 0.00 C ATOM 0 H ILE A 106 -0.154 -15.750 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 106 2.540 -15.302 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 106 0.814 -17.821 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.246 -15.658 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.175 -15.765 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.272 -18.545 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.169 -18.383 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.316 -17.130 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.613 -16.692 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.723 -17.962 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.720 -17.853 -2.839 1.00 0.00 H new ATOM 1681 N ALA A 107 3.861 -16.178 -8.003 1.00 0.00 N ATOM 1682 CA ALA A 107 4.709 -16.712 -9.089 1.00 0.00 C ATOM 1683 C ALA A 107 5.664 -17.790 -8.567 1.00 0.00 C ATOM 1684 O ALA A 107 6.135 -18.632 -9.335 1.00 0.00 O ATOM 1685 CB ALA A 107 5.478 -15.573 -9.762 1.00 0.00 C ATOM 0 H ALA A 107 4.237 -15.340 -7.559 1.00 0.00 H new ATOM 0 HA ALA A 107 4.064 -17.182 -9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.100 -15.976 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 107 4.773 -14.854 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.110 -15.076 -9.026 1.00 0.00 H new ATOM 1691 N LYS A 108 5.954 -17.754 -7.258 1.00 0.00 N ATOM 1692 CA LYS A 108 6.813 -18.745 -6.579 1.00 0.00 C ATOM 1693 C LYS A 108 6.330 -18.949 -5.147 1.00 0.00 C ATOM 1694 O LYS A 108 5.825 -18.018 -4.516 1.00 0.00 O ATOM 1695 CB LYS A 108 8.305 -18.303 -6.574 1.00 0.00 C ATOM 1696 CG LYS A 108 9.007 -18.403 -7.945 1.00 0.00 C ATOM 1697 CD LYS A 108 10.432 -17.824 -7.928 1.00 0.00 C ATOM 1698 CE LYS A 108 11.082 -17.834 -9.316 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.489 -17.377 -9.266 1.00 0.00 N ATOM 0 H LYS A 108 5.598 -17.031 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 108 6.744 -19.683 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.364 -17.272 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.850 -18.915 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.048 -19.448 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.414 -17.875 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.402 -16.802 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.047 -18.400 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.041 -18.842 -9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.514 -17.191 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.895 -17.397 -10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.526 -16.406 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.036 -18.006 -8.644 1.00 0.00 H new ATOM 1713 N ALA A 109 6.532 -20.166 -4.637 1.00 0.00 N ATOM 1714 CA ALA A 109 6.068 -20.579 -3.315 1.00 0.00 C ATOM 1715 C ALA A 109 7.075 -21.551 -2.715 1.00 0.00 C ATOM 1716 O ALA A 109 7.613 -22.415 -3.413 1.00 0.00 O ATOM 1717 CB ALA A 109 4.680 -21.230 -3.404 1.00 0.00 C ATOM 0 H ALA A 109 7.030 -20.901 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 109 5.983 -19.701 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.354 -21.530 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.969 -20.515 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.730 -22.107 -4.049 1.00 0.00 H new ATOM 1723 N TRP A 110 7.354 -21.363 -1.431 1.00 0.00 N ATOM 1724 CA TRP A 110 8.221 -22.232 -0.638 1.00 0.00 C ATOM 1725 C TRP A 110 7.555 -22.391 0.734 1.00 0.00 C ATOM 1726 O TRP A 110 6.803 -21.507 1.159 1.00 0.00 O ATOM 1727 CB TRP A 110 9.647 -21.608 -0.470 1.00 0.00 C ATOM 1728 CG TRP A 110 10.254 -21.029 -1.735 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.916 -21.705 -2.704 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.261 -19.649 -2.150 1.00 0.00 C ATOM 1731 NE1 TRP A 110 11.311 -20.862 -3.700 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.931 -19.592 -3.384 1.00 0.00 C ATOM 1733 CE3 TRP A 110 9.766 -18.466 -1.603 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.118 -18.406 -4.078 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 9.951 -17.284 -2.290 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.623 -17.263 -3.519 1.00 0.00 C ATOM 0 H TRP A 110 6.974 -20.582 -0.896 1.00 0.00 H new ATOM 0 HA TRP A 110 8.347 -23.194 -1.135 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.595 -20.821 0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.318 -22.375 -0.083 1.00 0.00 H new ATOM 0 HD1 TRP A 110 11.105 -22.768 -2.690 1.00 0.00 H new ATOM 0 HE1 TRP A 110 11.811 -21.138 -4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.246 -18.475 -0.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.636 -18.387 -5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 9.572 -16.362 -1.874 1.00 0.00 H new ATOM 0 HH2 TRP A 110 10.752 -16.323 -4.035 1.00 0.00 H new ATOM 1747 N PHE A 111 7.802 -23.507 1.423 1.00 0.00 N ATOM 1748 CA PHE A 111 7.407 -23.645 2.832 1.00 0.00 C ATOM 1749 C PHE A 111 8.492 -24.421 3.582 1.00 0.00 C ATOM 1750 O PHE A 111 9.045 -25.404 3.064 1.00 0.00 O ATOM 1751 CB PHE A 111 5.988 -24.298 2.992 1.00 0.00 C ATOM 1752 CG PHE A 111 5.929 -25.831 2.902 1.00 0.00 C ATOM 1753 CD1 PHE A 111 5.788 -26.487 1.681 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.008 -26.611 4.062 1.00 0.00 C ATOM 1755 CE1 PHE A 111 5.725 -27.871 1.624 1.00 0.00 C ATOM 1756 CE2 PHE A 111 5.952 -27.986 4.008 1.00 0.00 C ATOM 1757 CZ PHE A 111 5.811 -28.621 2.788 1.00 0.00 C ATOM 0 H PHE A 111 8.271 -24.325 1.034 1.00 0.00 H new ATOM 0 HA PHE A 111 7.318 -22.651 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.579 -23.996 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.333 -23.885 2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.727 -25.911 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.115 -26.124 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.609 -28.366 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.018 -28.567 4.916 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.768 -29.699 2.741 1.00 0.00 H new ATOM 1767 N LYS A 112 8.816 -23.943 4.786 1.00 0.00 N ATOM 1768 CA LYS A 112 9.732 -24.612 5.708 1.00 0.00 C ATOM 1769 C LYS A 112 9.026 -24.782 7.049 1.00 0.00 C ATOM 1770 O LYS A 112 8.492 -23.810 7.593 1.00 0.00 O ATOM 1771 CB LYS A 112 11.041 -23.794 5.890 1.00 0.00 C ATOM 1772 CG LYS A 112 11.864 -23.588 4.596 1.00 0.00 C ATOM 1773 CD LYS A 112 13.254 -22.959 4.859 1.00 0.00 C ATOM 1774 CE LYS A 112 13.181 -21.578 5.537 1.00 0.00 C ATOM 1775 NZ LYS A 112 14.531 -21.005 5.757 1.00 0.00 N ATOM 0 H LYS A 112 8.443 -23.067 5.152 1.00 0.00 H new ATOM 0 HA LYS A 112 10.008 -25.585 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.788 -22.817 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.668 -24.297 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.994 -24.549 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.305 -22.948 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.837 -23.633 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.786 -22.863 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.594 -20.899 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.663 -21.668 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.443 -20.075 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.083 -21.641 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.015 -20.896 4.843 1.00 0.00 H new ATOM 1789 N ILE A 113 9.044 -26.002 7.591 1.00 0.00 N ATOM 1790 CA ILE A 113 8.399 -26.307 8.870 1.00 0.00 C ATOM 1791 C ILE A 113 9.399 -26.041 9.994 1.00 0.00 C ATOM 1792 O ILE A 113 10.563 -26.453 9.899 1.00 0.00 O ATOM 1793 CB ILE A 113 7.908 -27.801 8.919 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.817 -28.047 7.825 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.372 -28.194 10.330 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.499 -29.504 7.564 1.00 0.00 C ATOM 0 H ILE A 113 9.504 -26.803 7.158 1.00 0.00 H new ATOM 0 HA ILE A 113 7.522 -25.671 8.989 1.00 0.00 H new ATOM 0 HB ILE A 113 8.768 -28.438 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.901 -27.537 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.147 -27.589 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.044 -29.233 10.318 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.165 -28.072 11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.532 -27.551 10.592 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.733 -29.577 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.400 -30.019 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.135 -29.967 8.481 1.00 0.00 H new ATOM 1808 N GLY A 114 8.940 -25.316 11.023 1.00 0.00 N ATOM 1809 CA GLY A 114 9.762 -24.998 12.192 1.00 0.00 C ATOM 1810 C GLY A 114 10.265 -26.250 12.906 1.00 0.00 C ATOM 1811 O GLY A 114 11.433 -26.629 12.754 1.00 0.00 O ATOM 0 H GLY A 114 7.994 -24.937 11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.614 -24.393 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.180 -24.394 12.889 1.00 0.00 H new ATOM 1815 N GLU A 115 9.366 -26.916 13.649 1.00 0.00 N ATOM 1816 CA GLU A 115 9.662 -28.202 14.307 1.00 0.00 C ATOM 1817 C GLU A 115 8.330 -28.941 14.612 1.00 0.00 C ATOM 1818 O GLU A 115 7.260 -28.320 14.522 1.00 0.00 O ATOM 1819 CB GLU A 115 10.515 -27.970 15.603 1.00 0.00 C ATOM 1820 CG GLU A 115 9.718 -27.595 16.861 1.00 0.00 C ATOM 1821 CD GLU A 115 10.619 -27.266 18.060 1.00 0.00 C ATOM 1822 OE1 GLU A 115 11.204 -28.205 18.648 1.00 0.00 O ATOM 1823 OE2 GLU A 115 10.765 -26.076 18.410 1.00 0.00 O ATOM 0 H GLU A 115 8.416 -26.581 13.811 1.00 0.00 H new ATOM 0 HA GLU A 115 10.255 -28.830 13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.082 -28.877 15.811 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.239 -27.180 15.404 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.085 -26.735 16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.056 -28.420 17.125 1.00 0.00 H new ATOM 1830 N PRO A 116 8.363 -30.274 14.965 1.00 0.00 N ATOM 1831 CA PRO A 116 7.152 -31.006 15.415 1.00 0.00 C ATOM 1832 C PRO A 116 6.604 -30.465 16.761 1.00 0.00 C ATOM 1833 O PRO A 116 7.367 -30.174 17.692 1.00 0.00 O ATOM 1834 CB PRO A 116 7.640 -32.470 15.533 1.00 0.00 C ATOM 1835 CG PRO A 116 9.111 -32.359 15.761 1.00 0.00 C ATOM 1836 CD PRO A 116 9.547 -31.185 14.918 1.00 0.00 C ATOM 0 HA PRO A 116 6.316 -30.894 14.725 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.149 -32.986 16.358 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.421 -33.035 14.627 1.00 0.00 H new ATOM 0 HG2 PRO A 116 9.336 -32.194 16.815 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.627 -33.272 15.464 1.00 0.00 H new ATOM 0 HD2 PRO A 116 10.439 -30.707 15.323 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.783 -31.487 13.898 1.00 0.00 H new ATOM 1844 N ARG A 117 5.270 -30.334 16.842 1.00 0.00 N ATOM 1845 CA ARG A 117 4.562 -29.733 17.990 1.00 0.00 C ATOM 1846 C ARG A 117 3.348 -30.615 18.352 1.00 0.00 C ATOM 1847 O ARG A 117 2.649 -31.104 17.460 1.00 0.00 O ATOM 1848 CB ARG A 117 4.047 -28.313 17.629 1.00 0.00 C ATOM 1849 CG ARG A 117 5.079 -27.306 17.079 1.00 0.00 C ATOM 1850 CD ARG A 117 6.130 -26.857 18.102 1.00 0.00 C ATOM 1851 NE ARG A 117 7.026 -25.859 17.495 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.596 -24.820 18.115 1.00 0.00 C ATOM 1853 NH1 ARG A 117 7.441 -24.625 19.419 1.00 0.00 N ATOM 1854 NH2 ARG A 117 8.319 -23.972 17.402 1.00 0.00 N ATOM 0 H ARG A 117 4.641 -30.647 16.102 1.00 0.00 H new ATOM 0 HA ARG A 117 5.254 -29.664 18.830 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.253 -28.420 16.890 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.596 -27.880 18.522 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.588 -27.755 16.226 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.550 -26.427 16.709 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.639 -26.433 18.978 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.707 -27.716 18.444 1.00 0.00 H new ATOM 0 HE ARG A 117 7.233 -25.971 16.502 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.878 -25.274 19.968 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.885 -23.826 19.871 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.433 -24.117 16.399 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.762 -23.173 17.855 1.00 0.00 H new ATOM 1868 N ILE A 118 3.110 -30.809 19.656 1.00 0.00 N ATOM 1869 CA ILE A 118 1.913 -31.506 20.188 1.00 0.00 C ATOM 1870 C ILE A 118 1.237 -30.582 21.225 1.00 0.00 C ATOM 1871 O ILE A 118 1.935 -29.860 21.941 1.00 0.00 O ATOM 1872 CB ILE A 118 2.291 -32.894 20.855 1.00 0.00 C ATOM 1873 CG1 ILE A 118 2.928 -33.876 19.823 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.081 -33.560 21.547 1.00 0.00 C ATOM 1875 CD1 ILE A 118 2.019 -34.263 18.670 1.00 0.00 C ATOM 0 H ILE A 118 3.745 -30.486 20.386 1.00 0.00 H new ATOM 0 HA ILE A 118 1.232 -31.722 19.365 1.00 0.00 H new ATOM 0 HB ILE A 118 3.033 -32.670 21.622 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.832 -33.420 19.418 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.235 -34.782 20.346 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.390 -34.507 21.988 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.701 -32.902 22.329 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.296 -33.741 20.813 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.546 -34.947 18.005 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.126 -34.752 19.059 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.732 -33.369 18.117 1.00 0.00 H new ATOM 1887 N VAL A 119 -0.113 -30.578 21.288 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.863 -29.777 22.301 1.00 0.00 C ATOM 1889 C VAL A 119 -0.425 -30.163 23.738 1.00 0.00 C ATOM 1890 O VAL A 119 -0.181 -29.299 24.589 1.00 0.00 O ATOM 1891 CB VAL A 119 -2.432 -29.941 22.163 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -3.193 -29.111 23.234 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -2.915 -29.558 20.747 1.00 0.00 C ATOM 0 H VAL A 119 -0.709 -31.114 20.657 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.620 -28.731 22.112 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.656 -30.995 22.330 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.267 -29.250 23.107 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.900 -29.445 24.229 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.947 -28.055 23.118 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.996 -29.682 20.686 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.656 -28.519 20.543 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.434 -30.203 20.012 1.00 0.00 H new