USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 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 121 GLN : amide:sc= 0.736 K(o=1.3,f=-0.19) USER MOD Set 1.2: A 125 ASN : amide:sc= 0.582 K(o=1.3,f=-1.5!) USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0.447 USER MOD Set 2.2: A 104 SER OG : rot 98:sc= 0.488 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.495 USER MOD Set 3.2: A 100 THR OG1 : rot -66:sc= 0.545 USER MOD Set 4.1: A 20 TYR OH : rot 161:sc= 1.05 USER MOD Set 4.2: A 21 THR OG1 : rot 103:sc= 2.03 USER MOD Set 4.3: A 70 TYR OH : rot 30:sc= 0.544 USER MOD Single : A 1 MET CE :methyl -122:sc= -0.173 (180deg=-0.377) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00221 (180deg=-0.153) USER MOD Single : A 2 ASN : amide:sc=-0.00302 X(o=-0.003,f=-0.0088) USER MOD Single : A 7 THR OG1 : rot 130:sc=-0.00257 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 171:sc= -0.493 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0.921 (180deg=0.873) USER MOD Single : A 76 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.837) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.16) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0395 X(o=-0.039,f=-0.18) USER MOD Single : A 116 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.14) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 126 ASN : amide:sc=-0.00986 K(o=-0.0099,f=-1.2) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= 0.296 K(o=0.3,f=-2.8!) USER MOD Single : A 133 SER OG : rot -43:sc= 1.23 USER MOD Single : A 134 HIS : no HD1:sc=-0.00022 X(o=-0.00022,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.504 12.949 13.628 1.00 0.00 N ATOM 2 CA MET A 1 -0.839 13.383 12.404 1.00 0.00 C ATOM 3 C MET A 1 -1.159 12.441 11.248 1.00 0.00 C ATOM 4 O MET A 1 -0.930 11.236 11.337 1.00 0.00 O ATOM 5 CB MET A 1 0.670 13.463 12.622 1.00 0.00 C ATOM 6 CG MET A 1 1.105 14.501 13.648 1.00 0.00 C ATOM 7 SD MET A 1 0.673 16.183 13.161 1.00 0.00 S ATOM 8 CE MET A 1 1.785 16.432 11.781 1.00 0.00 C ATOM 0 H1 MET A 1 -1.428 13.696 14.348 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.507 12.760 13.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.052 12.081 13.980 1.00 0.00 H new ATOM 0 HA MET A 1 -1.210 14.375 12.147 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.031 12.484 12.938 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.151 13.688 11.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.641 14.274 14.608 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.183 14.434 13.792 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.418 17.298 11.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.409 15.548 11.653 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.206 16.602 10.873 1.00 0.00 H new ATOM 20 N ASN A 2 -1.692 12.999 10.164 1.00 0.00 N ATOM 21 CA ASN A 2 -1.925 12.232 8.948 1.00 0.00 C ATOM 22 C ASN A 2 -0.842 12.513 7.910 1.00 0.00 C ATOM 23 O ASN A 2 -0.534 13.668 7.617 1.00 0.00 O ATOM 24 CB ASN A 2 -3.299 12.517 8.366 1.00 0.00 C ATOM 25 CG ASN A 2 -4.434 12.088 9.255 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.618 10.897 9.529 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.241 13.043 9.640 1.00 0.00 N ATOM 0 H ASN A 2 -1.970 13.979 10.105 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.884 11.176 9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.386 13.586 8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.389 12.009 7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.068 12.820 10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.043 14.011 9.387 1.00 0.00 H new ATOM 34 N ILE A 3 -0.269 11.448 7.360 1.00 0.00 N ATOM 35 CA ILE A 3 0.755 11.579 6.331 1.00 0.00 C ATOM 36 C ILE A 3 0.257 11.051 4.990 1.00 0.00 C ATOM 37 O ILE A 3 -0.274 9.942 4.905 1.00 0.00 O ATOM 38 CB ILE A 3 2.045 10.835 6.721 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.626 11.413 8.013 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.065 10.913 5.594 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.783 10.617 8.573 1.00 0.00 C ATOM 0 H ILE A 3 -0.496 10.485 7.609 1.00 0.00 H new ATOM 0 HA ILE A 3 0.976 12.642 6.239 1.00 0.00 H new ATOM 0 HB ILE A 3 1.801 9.787 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.957 12.435 7.826 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.837 11.466 8.763 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.971 10.382 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.650 10.456 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.305 11.957 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.140 11.089 9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.453 9.602 8.793 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.591 10.586 7.842 1.00 0.00 H new ATOM 53 N THR A 4 0.434 11.850 3.942 1.00 0.00 N ATOM 54 CA THR A 4 -0.037 11.483 2.613 1.00 0.00 C ATOM 55 C THR A 4 1.122 11.362 1.632 1.00 0.00 C ATOM 56 O THR A 4 2.014 12.210 1.602 1.00 0.00 O ATOM 57 CB THR A 4 -1.052 12.507 2.072 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.161 12.609 2.974 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.556 12.084 0.701 1.00 0.00 C ATOM 0 H THR A 4 0.900 12.756 3.989 1.00 0.00 H new ATOM 0 HA THR A 4 -0.528 10.515 2.709 1.00 0.00 H new ATOM 0 HB THR A 4 -0.557 13.474 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.805 13.262 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.272 12.819 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.716 12.019 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.041 11.111 0.776 1.00 0.00 H new ATOM 67 N VAL A 5 1.105 10.303 0.829 1.00 0.00 N ATOM 68 CA VAL A 5 2.113 10.111 -0.206 1.00 0.00 C ATOM 69 C VAL A 5 1.468 9.797 -1.551 1.00 0.00 C ATOM 70 O VAL A 5 0.362 9.262 -1.609 1.00 0.00 O ATOM 71 CB VAL A 5 3.091 8.979 0.161 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.884 9.344 1.407 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.340 7.673 0.373 1.00 0.00 C ATOM 0 H VAL A 5 0.403 9.564 0.876 1.00 0.00 H new ATOM 0 HA VAL A 5 2.668 11.046 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 5 3.788 8.845 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.570 8.533 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.451 10.256 1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.199 9.504 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.047 6.885 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.620 7.795 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.814 7.403 -0.543 1.00 0.00 H new ATOM 83 N GLU A 6 2.169 10.133 -2.631 1.00 0.00 N ATOM 84 CA GLU A 6 1.604 10.024 -3.971 1.00 0.00 C ATOM 85 C GLU A 6 2.684 9.659 -4.986 1.00 0.00 C ATOM 86 O GLU A 6 3.807 10.159 -4.923 1.00 0.00 O ATOM 87 CB GLU A 6 0.919 11.331 -4.374 1.00 0.00 C ATOM 88 CG GLU A 6 0.192 11.274 -5.709 1.00 0.00 C ATOM 89 CD GLU A 6 -0.439 12.597 -6.045 1.00 0.00 C ATOM 90 OE1 GLU A 6 -1.132 13.132 -5.214 1.00 0.00 O ATOM 91 OE2 GLU A 6 -0.137 13.128 -7.088 1.00 0.00 O ATOM 0 H GLU A 6 3.127 10.482 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 6 0.858 9.229 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.206 11.608 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.668 12.122 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.893 10.993 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.576 10.501 -5.675 1.00 0.00 H new ATOM 98 N THR A 7 2.334 8.782 -5.923 1.00 0.00 N ATOM 99 CA THR A 7 3.254 8.388 -6.981 1.00 0.00 C ATOM 100 C THR A 7 2.504 8.041 -8.262 1.00 0.00 C ATOM 101 O THR A 7 1.445 7.413 -8.224 1.00 0.00 O ATOM 102 CB THR A 7 4.117 7.184 -6.560 1.00 0.00 C ATOM 103 OG1 THR A 7 5.155 6.975 -7.526 1.00 0.00 O ATOM 104 CG2 THR A 7 3.265 5.928 -6.457 1.00 0.00 C ATOM 0 H THR A 7 1.420 8.332 -5.970 1.00 0.00 H new ATOM 0 HA THR A 7 3.905 9.242 -7.165 1.00 0.00 H new ATOM 0 HB THR A 7 4.556 7.394 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.018 6.900 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.891 5.087 -6.159 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.482 6.079 -5.714 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.810 5.716 -7.425 1.00 0.00 H new ATOM 112 N THR A 8 3.059 8.453 -9.399 1.00 0.00 N ATOM 113 CA THR A 8 2.446 8.179 -10.692 1.00 0.00 C ATOM 114 C THR A 8 3.231 7.121 -11.459 1.00 0.00 C ATOM 115 O THR A 8 4.441 7.244 -11.644 1.00 0.00 O ATOM 116 CB THR A 8 2.346 9.453 -11.552 1.00 0.00 C ATOM 117 OG1 THR A 8 1.520 10.417 -10.886 1.00 0.00 O ATOM 118 CG2 THR A 8 1.750 9.133 -12.913 1.00 0.00 C ATOM 0 H THR A 8 3.932 8.978 -9.449 1.00 0.00 H new ATOM 0 HA THR A 8 1.441 7.808 -10.491 1.00 0.00 H new ATOM 0 HB THR A 8 3.348 9.858 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.458 11.228 -11.433 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.687 10.045 -13.506 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.383 8.409 -13.426 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.752 8.715 -12.784 1.00 0.00 H new ATOM 126 N VAL A 9 2.532 6.082 -11.906 1.00 0.00 N ATOM 127 CA VAL A 9 3.177 4.960 -12.578 1.00 0.00 C ATOM 128 C VAL A 9 2.674 4.814 -14.009 1.00 0.00 C ATOM 129 O VAL A 9 1.497 5.043 -14.291 1.00 0.00 O ATOM 130 CB VAL A 9 2.941 3.638 -11.822 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.549 3.705 -10.430 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.454 3.329 -11.740 1.00 0.00 C ATOM 0 H VAL A 9 1.520 5.994 -11.815 1.00 0.00 H new ATOM 0 HA VAL A 9 4.246 5.173 -12.592 1.00 0.00 H new ATOM 0 HB VAL A 9 3.429 2.834 -12.373 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.373 2.763 -9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.622 3.880 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.089 4.519 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.306 2.392 -11.203 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.944 4.134 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.045 3.239 -12.746 1.00 0.00 H new ATOM 142 N ALA A 10 3.572 4.430 -14.911 1.00 0.00 N ATOM 143 CA ALA A 10 3.200 4.169 -16.296 1.00 0.00 C ATOM 144 C ALA A 10 2.818 2.705 -16.495 1.00 0.00 C ATOM 145 O ALA A 10 3.602 1.916 -17.018 1.00 0.00 O ATOM 146 CB ALA A 10 4.340 4.550 -17.229 1.00 0.00 C ATOM 0 H ALA A 10 4.562 4.293 -14.707 1.00 0.00 H new ATOM 0 HA ALA A 10 2.330 4.781 -16.534 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.049 4.350 -18.260 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.565 5.610 -17.115 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.224 3.963 -16.981 1.00 0.00 H new ATOM 152 N ALA A 11 1.609 2.352 -16.072 1.00 0.00 N ATOM 153 CA ALA A 11 1.122 0.985 -16.207 1.00 0.00 C ATOM 154 C ALA A 11 -0.385 0.960 -16.436 1.00 0.00 C ATOM 155 O ALA A 11 -1.096 1.925 -16.159 1.00 0.00 O ATOM 156 CB ALA A 11 1.485 0.170 -14.975 1.00 0.00 C ATOM 0 H ALA A 11 0.949 2.994 -15.633 1.00 0.00 H new ATOM 0 HA ALA A 11 1.603 0.539 -17.077 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.115 -0.849 -15.091 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.568 0.151 -14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.032 0.623 -14.093 1.00 0.00 H new ATOM 162 N PRO A 12 -0.886 -0.172 -16.954 1.00 0.00 N ATOM 163 CA PRO A 12 -2.320 -0.366 -17.194 1.00 0.00 C ATOM 164 C PRO A 12 -3.152 -0.142 -15.936 1.00 0.00 C ATOM 165 O PRO A 12 -2.785 -0.587 -14.848 1.00 0.00 O ATOM 166 CB PRO A 12 -2.419 -1.811 -17.692 1.00 0.00 C ATOM 167 CG PRO A 12 -1.073 -2.100 -18.264 1.00 0.00 C ATOM 168 CD PRO A 12 -0.098 -1.366 -17.381 1.00 0.00 C ATOM 0 HA PRO A 12 -2.717 0.352 -17.911 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.660 -2.496 -16.879 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.201 -1.920 -18.443 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.870 -3.171 -18.269 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.003 -1.758 -19.296 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.215 -1.972 -16.530 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.806 -1.084 -17.921 1.00 0.00 H new ATOM 176 N VAL A 13 -4.277 0.551 -16.092 1.00 0.00 N ATOM 177 CA VAL A 13 -5.043 1.030 -14.947 1.00 0.00 C ATOM 178 C VAL A 13 -5.601 -0.132 -14.134 1.00 0.00 C ATOM 179 O VAL A 13 -5.738 -0.041 -12.916 1.00 0.00 O ATOM 180 CB VAL A 13 -6.205 1.941 -15.387 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.310 1.120 -16.035 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.749 2.722 -14.200 1.00 0.00 C ATOM 0 H VAL A 13 -4.677 0.793 -16.999 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.356 1.606 -14.327 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.826 2.651 -16.122 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.123 1.780 -16.340 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.914 0.604 -16.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.686 0.388 -15.321 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.569 3.360 -14.529 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.112 2.027 -13.443 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.957 3.339 -13.777 1.00 0.00 H new ATOM 192 N GLY A 14 -5.921 -1.227 -14.818 1.00 0.00 N ATOM 193 CA GLY A 14 -6.385 -2.420 -14.133 1.00 0.00 C ATOM 194 C GLY A 14 -5.298 -3.067 -13.297 1.00 0.00 C ATOM 195 O GLY A 14 -5.540 -3.481 -12.164 1.00 0.00 O ATOM 0 H GLY A 14 -5.867 -1.309 -15.833 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.228 -2.163 -13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.751 -3.138 -14.867 1.00 0.00 H new ATOM 199 N LYS A 15 -4.097 -3.158 -13.859 1.00 0.00 N ATOM 200 CA LYS A 15 -2.965 -3.745 -13.152 1.00 0.00 C ATOM 201 C LYS A 15 -2.587 -2.905 -11.936 1.00 0.00 C ATOM 202 O LYS A 15 -2.210 -3.438 -10.892 1.00 0.00 O ATOM 203 CB LYS A 15 -1.764 -3.890 -14.088 1.00 0.00 C ATOM 204 CG LYS A 15 -1.928 -4.957 -15.162 1.00 0.00 C ATOM 205 CD LYS A 15 -0.657 -5.118 -15.982 1.00 0.00 C ATOM 206 CE LYS A 15 -0.842 -6.133 -17.100 1.00 0.00 C ATOM 207 NZ LYS A 15 0.390 -6.294 -17.917 1.00 0.00 N ATOM 0 H LYS A 15 -3.883 -2.833 -14.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.261 -4.735 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.578 -2.931 -14.571 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.881 -4.124 -13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.185 -5.908 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.756 -4.690 -15.819 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.372 -4.155 -16.406 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.159 -5.435 -15.333 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.122 -7.096 -16.673 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.664 -5.818 -17.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.220 -6.994 -18.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.643 -5.381 -18.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.169 -6.619 -17.310 1.00 0.00 H new ATOM 221 N VAL A 16 -2.693 -1.587 -12.077 1.00 0.00 N ATOM 222 CA VAL A 16 -2.363 -0.673 -10.990 1.00 0.00 C ATOM 223 C VAL A 16 -3.399 -0.750 -9.873 1.00 0.00 C ATOM 224 O VAL A 16 -3.053 -0.768 -8.692 1.00 0.00 O ATOM 225 CB VAL A 16 -2.263 0.782 -11.486 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.079 1.734 -10.313 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.117 0.930 -12.476 1.00 0.00 C ATOM 0 H VAL A 16 -3.005 -1.129 -12.933 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.392 -0.982 -10.603 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.193 1.037 -11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.010 2.757 -10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.930 1.648 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.164 1.479 -9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.061 1.964 -12.816 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.180 0.656 -11.991 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.288 0.276 -13.331 1.00 0.00 H new ATOM 237 N TRP A 17 -4.670 -0.793 -10.256 1.00 0.00 N ATOM 238 CA TRP A 17 -5.754 -0.942 -9.292 1.00 0.00 C ATOM 239 C TRP A 17 -5.622 -2.251 -8.524 1.00 0.00 C ATOM 240 O TRP A 17 -5.828 -2.294 -7.310 1.00 0.00 O ATOM 241 CB TRP A 17 -7.110 -0.878 -9.996 1.00 0.00 C ATOM 242 CG TRP A 17 -7.487 0.501 -10.447 1.00 0.00 C ATOM 243 CD1 TRP A 17 -6.723 1.626 -10.354 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.718 0.901 -11.060 1.00 0.00 C ATOM 245 NE1 TRP A 17 -7.401 2.702 -10.870 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.630 2.281 -11.312 1.00 0.00 C ATOM 247 CE3 TRP A 17 -9.888 0.221 -11.422 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.659 2.996 -11.903 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -10.920 0.938 -12.016 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.809 2.285 -12.251 1.00 0.00 C ATOM 0 H TRP A 17 -4.975 -0.727 -11.227 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.689 -0.118 -8.581 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -7.093 -1.542 -10.860 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.879 -1.253 -9.321 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.728 1.665 -9.935 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -7.049 3.658 -10.917 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.986 -0.840 -11.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.575 4.057 -12.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.827 0.424 -12.298 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -11.631 2.808 -12.717 1.00 0.00 H new ATOM 261 N ARG A 18 -5.281 -3.320 -9.237 1.00 0.00 N ATOM 262 CA ARG A 18 -5.100 -4.626 -8.617 1.00 0.00 C ATOM 263 C ARG A 18 -3.911 -4.615 -7.661 1.00 0.00 C ATOM 264 O ARG A 18 -3.887 -5.354 -6.676 1.00 0.00 O ATOM 265 CB ARG A 18 -4.978 -5.740 -9.647 1.00 0.00 C ATOM 266 CG ARG A 18 -6.273 -6.094 -10.362 1.00 0.00 C ATOM 267 CD ARG A 18 -6.123 -7.110 -11.435 1.00 0.00 C ATOM 268 NE ARG A 18 -7.359 -7.453 -12.117 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.443 -8.272 -13.184 1.00 0.00 C ATOM 270 NH1 ARG A 18 -6.364 -8.806 -13.714 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.638 -8.509 -13.698 1.00 0.00 N ATOM 0 H ARG A 18 -5.125 -3.306 -10.245 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.998 -4.836 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.237 -5.448 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.597 -6.633 -9.152 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.990 -6.461 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.695 -5.187 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.408 -6.741 -12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.698 -8.016 -11.003 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.224 -7.045 -11.763 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.447 -8.602 -13.317 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.445 -9.424 -14.522 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.465 -8.076 -13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.733 -9.125 -14.506 1.00 0.00 H new ATOM 285 N ALA A 19 -2.928 -3.772 -7.957 1.00 0.00 N ATOM 286 CA ALA A 19 -1.683 -3.754 -7.199 1.00 0.00 C ATOM 287 C ALA A 19 -1.882 -3.098 -5.836 1.00 0.00 C ATOM 288 O ALA A 19 -0.969 -3.074 -5.009 1.00 0.00 O ATOM 289 CB ALA A 19 -0.599 -3.030 -7.982 1.00 0.00 C ATOM 0 H ALA A 19 -2.969 -3.092 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.370 -4.785 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.325 -3.024 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.431 -3.542 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.913 -2.004 -8.175 1.00 0.00 H new ATOM 295 N TYR A 20 -3.077 -2.567 -5.609 1.00 0.00 N ATOM 296 CA TYR A 20 -3.375 -1.857 -4.370 1.00 0.00 C ATOM 297 C TYR A 20 -2.983 -2.693 -3.155 1.00 0.00 C ATOM 298 O TYR A 20 -2.499 -2.165 -2.152 1.00 0.00 O ATOM 299 CB TYR A 20 -4.861 -1.495 -4.303 1.00 0.00 C ATOM 300 CG TYR A 20 -5.730 -2.579 -3.706 1.00 0.00 C ATOM 301 CD1 TYR A 20 -6.184 -3.634 -4.484 1.00 0.00 C ATOM 302 CD2 TYR A 20 -6.096 -2.544 -2.369 1.00 0.00 C ATOM 303 CE1 TYR A 20 -6.978 -4.627 -3.945 1.00 0.00 C ATOM 304 CE2 TYR A 20 -6.889 -3.532 -1.819 1.00 0.00 C ATOM 305 CZ TYR A 20 -7.329 -4.573 -2.612 1.00 0.00 C ATOM 306 OH TYR A 20 -8.121 -5.560 -2.070 1.00 0.00 O ATOM 0 H TYR A 20 -3.856 -2.614 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.788 -0.938 -4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.977 -0.585 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.216 -1.271 -5.309 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.912 -3.679 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.755 -1.730 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.323 -5.442 -4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.163 -3.491 -0.775 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.030 -5.553 -1.094 1.00 0.00 H new ATOM 316 N THR A 21 -3.194 -4.001 -3.252 1.00 0.00 N ATOM 317 CA THR A 21 -2.760 -4.926 -2.212 1.00 0.00 C ATOM 318 C THR A 21 -2.438 -6.298 -2.794 1.00 0.00 C ATOM 319 O THR A 21 -3.189 -7.255 -2.605 1.00 0.00 O ATOM 320 CB THR A 21 -3.829 -5.082 -1.114 1.00 0.00 C ATOM 321 OG1 THR A 21 -4.121 -3.800 -0.542 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.339 -6.021 -0.022 1.00 0.00 C ATOM 0 H THR A 21 -3.664 -4.445 -4.041 1.00 0.00 H new ATOM 0 HA THR A 21 -1.858 -4.502 -1.770 1.00 0.00 H new ATOM 0 HB THR A 21 -4.730 -5.501 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.972 -3.469 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.107 -6.119 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.128 -7.000 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.430 -5.617 0.424 1.00 0.00 H new ATOM 330 N THR A 22 -1.316 -6.386 -3.501 1.00 0.00 N ATOM 331 CA THR A 22 -0.790 -7.673 -3.941 1.00 0.00 C ATOM 332 C THR A 22 0.399 -8.100 -3.087 1.00 0.00 C ATOM 333 O THR A 22 1.377 -7.369 -2.931 1.00 0.00 O ATOM 334 CB THR A 22 -0.360 -7.632 -5.419 1.00 0.00 C ATOM 335 OG1 THR A 22 -1.495 -7.333 -6.242 1.00 0.00 O ATOM 336 CG2 THR A 22 0.229 -8.970 -5.840 1.00 0.00 C ATOM 0 H THR A 22 -0.754 -5.582 -3.781 1.00 0.00 H new ATOM 0 HA THR A 22 -1.595 -8.399 -3.828 1.00 0.00 H new ATOM 0 HB THR A 22 0.398 -6.858 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.219 -7.306 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.527 -8.923 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.100 -9.194 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.518 -9.753 -5.711 1.00 0.00 H new ATOM 344 N PRO A 23 0.316 -9.314 -2.521 1.00 0.00 N ATOM 345 CA PRO A 23 1.325 -9.821 -1.588 1.00 0.00 C ATOM 346 C PRO A 23 2.693 -9.975 -2.240 1.00 0.00 C ATOM 347 O PRO A 23 3.723 -9.760 -1.601 1.00 0.00 O ATOM 348 CB PRO A 23 0.771 -11.189 -1.179 1.00 0.00 C ATOM 349 CG PRO A 23 -0.242 -11.515 -2.221 1.00 0.00 C ATOM 350 CD PRO A 23 -0.841 -10.202 -2.641 1.00 0.00 C ATOM 0 HA PRO A 23 1.485 -9.141 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.559 -11.941 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.321 -11.153 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.219 -12.022 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.006 -12.184 -1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.232 -10.234 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.663 -9.898 -1.993 1.00 0.00 H new ATOM 358 N GLU A 24 2.698 -10.345 -3.517 1.00 0.00 N ATOM 359 CA GLU A 24 3.933 -10.401 -4.291 1.00 0.00 C ATOM 360 C GLU A 24 4.564 -9.018 -4.411 1.00 0.00 C ATOM 361 O GLU A 24 5.787 -8.880 -4.419 1.00 0.00 O ATOM 362 CB GLU A 24 3.668 -10.984 -5.681 1.00 0.00 C ATOM 363 CG GLU A 24 3.333 -12.469 -5.687 1.00 0.00 C ATOM 364 CD GLU A 24 2.998 -12.949 -7.072 1.00 0.00 C ATOM 365 OE1 GLU A 24 2.965 -12.140 -7.968 1.00 0.00 O ATOM 366 OE2 GLU A 24 2.885 -14.138 -7.257 1.00 0.00 O ATOM 0 H GLU A 24 1.862 -10.610 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 24 4.632 -11.052 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.845 -10.437 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.547 -10.820 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.179 -13.036 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.490 -12.656 -5.021 1.00 0.00 H new ATOM 373 N ASP A 25 3.721 -7.996 -4.505 1.00 0.00 N ATOM 374 CA ASP A 25 4.192 -6.616 -4.536 1.00 0.00 C ATOM 375 C ASP A 25 4.643 -6.164 -3.151 1.00 0.00 C ATOM 376 O ASP A 25 5.605 -5.407 -3.017 1.00 0.00 O ATOM 377 CB ASP A 25 3.098 -5.686 -5.064 1.00 0.00 C ATOM 378 CG ASP A 25 2.753 -5.891 -6.534 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.422 -6.663 -7.178 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.734 -5.399 -6.958 1.00 0.00 O ATOM 0 H ASP A 25 2.708 -8.097 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 25 5.048 -6.568 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.197 -5.830 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.414 -4.653 -4.918 1.00 0.00 H new ATOM 385 N ILE A 26 3.943 -6.633 -2.124 1.00 0.00 N ATOM 386 CA ILE A 26 4.292 -6.303 -0.747 1.00 0.00 C ATOM 387 C ILE A 26 5.698 -6.781 -0.407 1.00 0.00 C ATOM 388 O ILE A 26 6.387 -6.183 0.419 1.00 0.00 O ATOM 389 CB ILE A 26 3.295 -6.918 0.251 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.917 -6.268 0.099 1.00 0.00 C ATOM 391 CG2 ILE A 26 3.805 -6.764 1.676 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.917 -4.775 0.331 1.00 0.00 C ATOM 0 H ILE A 26 3.131 -7.243 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 26 4.251 -5.217 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 26 3.199 -7.982 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.539 -6.470 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.226 -6.735 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.088 -7.204 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.764 -7.271 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.929 -5.706 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.906 -4.387 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.264 -4.564 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.581 -4.295 -0.388 1.00 0.00 H new ATOM 604 N ALA A 40 5.495 -12.077 3.785 1.00 0.00 N ATOM 605 CA ALA A 40 4.278 -12.757 3.356 1.00 0.00 C ATOM 606 C ALA A 40 3.051 -11.884 3.588 1.00 0.00 C ATOM 607 O ALA A 40 2.960 -11.177 4.591 1.00 0.00 O ATOM 608 CB ALA A 40 4.131 -14.084 4.087 1.00 0.00 C ATOM 0 HA ALA A 40 4.356 -12.950 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.219 -14.582 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.990 -14.718 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.079 -13.904 5.161 1.00 0.00 H new ATOM 614 N ALA A 41 2.107 -11.937 2.653 1.00 0.00 N ATOM 615 CA ALA A 41 0.861 -11.192 2.782 1.00 0.00 C ATOM 616 C ALA A 41 -0.325 -12.022 2.300 1.00 0.00 C ATOM 617 O ALA A 41 -0.233 -12.736 1.300 1.00 0.00 O ATOM 618 CB ALA A 41 0.943 -9.887 2.006 1.00 0.00 C ATOM 0 H ALA A 41 2.182 -12.488 1.798 1.00 0.00 H new ATOM 0 HA ALA A 41 0.709 -10.965 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.005 -9.341 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.761 -9.282 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.122 -10.101 0.952 1.00 0.00 H new ATOM 624 N THR A 42 -1.441 -11.924 3.017 1.00 0.00 N ATOM 625 CA THR A 42 -2.683 -12.553 2.589 1.00 0.00 C ATOM 626 C THR A 42 -3.811 -11.533 2.490 1.00 0.00 C ATOM 627 O THR A 42 -4.048 -10.761 3.420 1.00 0.00 O ATOM 628 CB THR A 42 -3.106 -13.681 3.549 1.00 0.00 C ATOM 629 OG1 THR A 42 -2.083 -14.684 3.592 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.411 -14.313 3.087 1.00 0.00 C ATOM 0 H THR A 42 -1.509 -11.414 3.898 1.00 0.00 H new ATOM 0 HA THR A 42 -2.496 -12.980 1.604 1.00 0.00 H new ATOM 0 HB THR A 42 -3.251 -13.257 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.353 -15.400 4.204 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.695 -15.108 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.194 -13.555 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.280 -14.729 2.088 1.00 0.00 H new ATOM 638 N VAL A 43 -4.506 -11.533 1.357 1.00 0.00 N ATOM 639 CA VAL A 43 -5.529 -10.529 1.088 1.00 0.00 C ATOM 640 C VAL A 43 -6.815 -11.177 0.587 1.00 0.00 C ATOM 641 O VAL A 43 -6.788 -12.046 -0.284 1.00 0.00 O ATOM 642 CB VAL A 43 -5.049 -9.495 0.053 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.722 -10.176 -1.268 1.00 0.00 C ATOM 644 CG2 VAL A 43 -6.100 -8.416 -0.150 1.00 0.00 C ATOM 0 H VAL A 43 -4.379 -12.217 0.611 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.725 -10.019 2.031 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.142 -9.024 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.384 -9.430 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.934 -10.913 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.613 -10.673 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.743 -7.694 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.024 -8.871 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.288 -7.908 0.796 1.00 0.00 H new ATOM 654 N ASP A 44 -7.944 -10.746 1.143 1.00 0.00 N ATOM 655 CA ASP A 44 -9.249 -11.110 0.604 1.00 0.00 C ATOM 656 C ASP A 44 -9.782 -10.014 -0.314 1.00 0.00 C ATOM 657 O ASP A 44 -10.169 -8.939 0.144 1.00 0.00 O ATOM 658 CB ASP A 44 -10.243 -11.379 1.737 1.00 0.00 C ATOM 659 CG ASP A 44 -11.609 -11.866 1.273 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.820 -11.938 0.086 1.00 0.00 O ATOM 661 OD2 ASP A 44 -12.371 -12.309 2.098 1.00 0.00 O ATOM 0 H ASP A 44 -7.980 -10.145 1.966 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.130 -12.022 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.815 -12.122 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.374 -10.464 2.314 1.00 0.00 H new ATOM 666 N LEU A 45 -9.797 -10.294 -1.613 1.00 0.00 N ATOM 667 CA LEU A 45 -10.103 -9.274 -2.610 1.00 0.00 C ATOM 668 C LEU A 45 -11.609 -9.059 -2.725 1.00 0.00 C ATOM 669 O LEU A 45 -12.263 -9.627 -3.600 1.00 0.00 O ATOM 670 CB LEU A 45 -9.513 -9.667 -3.971 1.00 0.00 C ATOM 671 CG LEU A 45 -7.987 -9.825 -3.999 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.535 -10.282 -5.380 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.332 -8.503 -3.628 1.00 0.00 C ATOM 0 H LEU A 45 -9.601 -11.217 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.650 -8.336 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.966 -10.607 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.798 -8.913 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.686 -10.581 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.451 -10.391 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.999 -11.240 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.832 -9.542 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.248 -8.616 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.630 -7.736 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.648 -8.209 -2.627 1.00 0.00 H new ATOM 685 N ARG A 46 -12.153 -8.233 -1.837 1.00 0.00 N ATOM 686 CA ARG A 46 -13.575 -7.912 -1.862 1.00 0.00 C ATOM 687 C ARG A 46 -13.869 -6.680 -1.012 1.00 0.00 C ATOM 688 O ARG A 46 -13.070 -6.299 -0.157 1.00 0.00 O ATOM 689 CB ARG A 46 -14.438 -9.097 -1.451 1.00 0.00 C ATOM 690 CG ARG A 46 -14.282 -9.529 -0.002 1.00 0.00 C ATOM 691 CD ARG A 46 -15.139 -10.677 0.390 1.00 0.00 C ATOM 692 NE ARG A 46 -14.876 -11.198 1.721 1.00 0.00 N ATOM 693 CZ ARG A 46 -15.425 -10.716 2.854 1.00 0.00 C ATOM 694 NH1 ARG A 46 -16.235 -9.682 2.827 1.00 0.00 N ATOM 695 NH2 ARG A 46 -15.108 -11.297 3.998 1.00 0.00 N ATOM 0 H ARG A 46 -11.630 -7.774 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.839 -7.679 -2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.484 -8.846 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.199 -9.943 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.239 -9.792 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.512 -8.682 0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.183 -10.371 0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.003 -11.480 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.231 -11.984 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.457 -9.231 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.642 -9.330 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.464 -12.088 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.507 -10.955 4.872 1.00 0.00 H new ATOM 709 N GLU A 47 -15.021 -6.061 -1.255 1.00 0.00 N ATOM 710 CA GLU A 47 -15.520 -5.008 -0.380 1.00 0.00 C ATOM 711 C GLU A 47 -15.737 -5.533 1.036 1.00 0.00 C ATOM 712 O GLU A 47 -16.485 -6.487 1.247 1.00 0.00 O ATOM 713 CB GLU A 47 -16.821 -4.423 -0.932 1.00 0.00 C ATOM 714 CG GLU A 47 -17.347 -3.220 -0.161 1.00 0.00 C ATOM 715 CD GLU A 47 -18.591 -2.665 -0.797 1.00 0.00 C ATOM 716 OE1 GLU A 47 -18.968 -3.146 -1.838 1.00 0.00 O ATOM 717 OE2 GLU A 47 -19.226 -1.836 -0.188 1.00 0.00 O ATOM 0 H GLU A 47 -15.625 -6.271 -2.050 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.770 -4.218 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -16.663 -4.133 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.584 -5.201 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.560 -3.510 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.580 -2.447 -0.122 1.00 0.00 H new ATOM 724 N GLY A 48 -15.075 -4.905 2.003 1.00 0.00 N ATOM 725 CA GLY A 48 -15.152 -5.367 3.375 1.00 0.00 C ATOM 726 C GLY A 48 -14.149 -6.464 3.674 1.00 0.00 C ATOM 727 O GLY A 48 -14.109 -6.994 4.784 1.00 0.00 O ATOM 0 H GLY A 48 -14.487 -4.084 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.979 -4.527 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.158 -5.734 3.576 1.00 0.00 H new ATOM 731 N GLY A 49 -13.336 -6.808 2.679 1.00 0.00 N ATOM 732 CA GLY A 49 -12.408 -7.914 2.829 1.00 0.00 C ATOM 733 C GLY A 49 -11.321 -7.626 3.844 1.00 0.00 C ATOM 734 O GLY A 49 -11.045 -6.468 4.156 1.00 0.00 O ATOM 0 H GLY A 49 -13.304 -6.341 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.957 -8.806 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.951 -8.134 1.864 1.00 0.00 H new ATOM 738 N ALA A 50 -10.701 -8.681 4.361 1.00 0.00 N ATOM 739 CA ALA A 50 -9.655 -8.536 5.367 1.00 0.00 C ATOM 740 C ALA A 50 -8.272 -8.721 4.749 1.00 0.00 C ATOM 741 O ALA A 50 -8.107 -9.462 3.781 1.00 0.00 O ATOM 742 CB ALA A 50 -9.868 -9.533 6.496 1.00 0.00 C ATOM 0 H ALA A 50 -10.904 -9.646 4.100 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.712 -7.526 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.080 -9.414 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.837 -9.354 6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.839 -10.547 6.096 1.00 0.00 H new ATOM 748 N PHE A 51 -7.282 -8.040 5.315 1.00 0.00 N ATOM 749 CA PHE A 51 -5.901 -8.187 4.871 1.00 0.00 C ATOM 750 C PHE A 51 -4.968 -8.406 6.059 1.00 0.00 C ATOM 751 O PHE A 51 -5.187 -7.865 7.142 1.00 0.00 O ATOM 752 CB PHE A 51 -5.463 -6.958 4.073 1.00 0.00 C ATOM 753 CG PHE A 51 -3.993 -6.931 3.759 1.00 0.00 C ATOM 754 CD1 PHE A 51 -3.448 -7.823 2.847 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.154 -6.017 4.377 1.00 0.00 C ATOM 756 CE1 PHE A 51 -2.097 -7.799 2.558 1.00 0.00 C ATOM 757 CE2 PHE A 51 -1.804 -5.990 4.089 1.00 0.00 C ATOM 758 CZ PHE A 51 -1.274 -6.883 3.179 1.00 0.00 C ATOM 0 H PHE A 51 -7.410 -7.380 6.082 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.844 -9.063 4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.025 -6.923 3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.722 -6.060 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.086 -8.544 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.561 -5.318 5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.685 -8.498 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.162 -5.270 4.576 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.218 -6.864 2.954 1.00 0.00 H new ATOM 768 N SER A 52 -3.925 -9.203 5.845 1.00 0.00 N ATOM 769 CA SER A 52 -2.919 -9.436 6.875 1.00 0.00 C ATOM 770 C SER A 52 -1.520 -9.475 6.268 1.00 0.00 C ATOM 771 O SER A 52 -1.287 -10.145 5.261 1.00 0.00 O ATOM 772 CB SER A 52 -3.215 -10.728 7.611 1.00 0.00 C ATOM 773 OG SER A 52 -2.259 -11.000 8.600 1.00 0.00 O ATOM 0 H SER A 52 -3.755 -9.697 4.969 1.00 0.00 H new ATOM 0 HA SER A 52 -2.956 -8.611 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.202 -10.667 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.244 -11.552 6.899 1.00 0.00 H new ATOM 0 HG SER A 52 -2.486 -11.839 9.052 1.00 0.00 H new ATOM 779 N SER A 53 -0.592 -8.752 6.887 1.00 0.00 N ATOM 780 CA SER A 53 0.795 -8.746 6.441 1.00 0.00 C ATOM 781 C SER A 53 1.719 -9.275 7.533 1.00 0.00 C ATOM 782 O SER A 53 1.763 -8.734 8.641 1.00 0.00 O ATOM 783 CB SER A 53 1.207 -7.346 6.029 1.00 0.00 C ATOM 784 OG SER A 53 2.555 -7.283 5.653 1.00 0.00 O ATOM 0 H SER A 53 -0.776 -8.163 7.699 1.00 0.00 H new ATOM 0 HA SER A 53 0.881 -9.405 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.584 -7.015 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.029 -6.658 6.856 1.00 0.00 H new ATOM 0 HG SER A 53 2.780 -6.365 5.393 1.00 0.00 H new ATOM 790 N ARG A 54 2.455 -10.335 7.216 1.00 0.00 N ATOM 791 CA ARG A 54 3.362 -10.951 8.177 1.00 0.00 C ATOM 792 C ARG A 54 4.811 -10.830 7.713 1.00 0.00 C ATOM 793 O ARG A 54 5.189 -11.380 6.679 1.00 0.00 O ATOM 794 CB ARG A 54 2.989 -12.395 8.479 1.00 0.00 C ATOM 795 CG ARG A 54 3.847 -13.070 9.536 1.00 0.00 C ATOM 796 CD ARG A 54 3.467 -14.476 9.826 1.00 0.00 C ATOM 797 NE ARG A 54 4.161 -15.067 10.960 1.00 0.00 N ATOM 798 CZ ARG A 54 5.419 -15.546 10.920 1.00 0.00 C ATOM 799 NH1 ARG A 54 6.112 -15.542 9.803 1.00 0.00 N ATOM 800 NH2 ARG A 54 5.933 -16.044 12.032 1.00 0.00 N ATOM 0 H ARG A 54 2.441 -10.785 6.301 1.00 0.00 H new ATOM 0 HA ARG A 54 3.261 -10.403 9.114 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.949 -12.426 8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.054 -12.972 7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.887 -13.047 9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.788 -12.492 10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.394 -14.518 10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.662 -15.082 8.941 1.00 0.00 H new ATOM 0 HE ARG A 54 3.660 -15.122 11.847 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.698 -15.172 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.064 -15.909 9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.379 -16.058 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.883 -16.414 12.033 1.00 0.00 H new ATOM 964 N PHE A 66 0.839 -7.310 11.026 1.00 0.00 N ATOM 965 CA PHE A 66 -0.188 -6.296 10.820 1.00 0.00 C ATOM 966 C PHE A 66 -1.462 -6.917 10.255 1.00 0.00 C ATOM 967 O PHE A 66 -1.410 -7.752 9.354 1.00 0.00 O ATOM 968 CB PHE A 66 0.323 -5.196 9.885 1.00 0.00 C ATOM 969 CG PHE A 66 1.513 -4.452 10.420 1.00 0.00 C ATOM 970 CD1 PHE A 66 1.348 -3.384 11.290 1.00 0.00 C ATOM 971 CD2 PHE A 66 2.800 -4.819 10.056 1.00 0.00 C ATOM 972 CE1 PHE A 66 2.441 -2.697 11.781 1.00 0.00 C ATOM 973 CE2 PHE A 66 3.896 -4.134 10.548 1.00 0.00 C ATOM 974 CZ PHE A 66 3.716 -3.073 11.410 1.00 0.00 C ATOM 0 HA PHE A 66 -0.422 -5.853 11.788 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.585 -5.641 8.925 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.483 -4.487 9.698 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.353 -3.086 11.587 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.948 -5.649 9.381 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.298 -1.866 12.455 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.893 -4.430 10.257 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.571 -2.537 11.794 1.00 0.00 H new ATOM 984 N ALA A 67 -2.604 -6.501 10.792 1.00 0.00 N ATOM 985 CA ALA A 67 -3.893 -6.990 10.318 1.00 0.00 C ATOM 986 C ALA A 67 -4.931 -5.872 10.300 1.00 0.00 C ATOM 987 O ALA A 67 -4.906 -4.975 11.143 1.00 0.00 O ATOM 988 CB ALA A 67 -4.373 -8.143 11.187 1.00 0.00 C ATOM 0 H ALA A 67 -2.663 -5.827 11.555 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.764 -7.348 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.337 -8.498 10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.648 -8.956 11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.479 -7.803 12.217 1.00 0.00 H new ATOM 994 N GLY A 68 -5.841 -5.931 9.333 1.00 0.00 N ATOM 995 CA GLY A 68 -6.902 -4.944 9.251 1.00 0.00 C ATOM 996 C GLY A 68 -8.009 -5.358 8.302 1.00 0.00 C ATOM 997 O GLY A 68 -7.871 -6.335 7.564 1.00 0.00 O ATOM 0 H GLY A 68 -5.863 -6.645 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.321 -4.783 10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.484 -3.992 8.923 1.00 0.00 H new ATOM 1001 N THR A 69 -9.112 -4.618 8.322 1.00 0.00 N ATOM 1002 CA THR A 69 -10.240 -4.902 7.444 1.00 0.00 C ATOM 1003 C THR A 69 -10.619 -3.677 6.622 1.00 0.00 C ATOM 1004 O THR A 69 -10.411 -2.540 7.049 1.00 0.00 O ATOM 1005 CB THR A 69 -11.470 -5.375 8.241 1.00 0.00 C ATOM 1006 OG1 THR A 69 -11.889 -4.339 9.138 1.00 0.00 O ATOM 1007 CG2 THR A 69 -11.140 -6.628 9.038 1.00 0.00 C ATOM 0 H THR A 69 -9.249 -3.816 8.938 1.00 0.00 H new ATOM 0 HA THR A 69 -9.924 -5.701 6.774 1.00 0.00 H new ATOM 0 HB THR A 69 -12.272 -5.604 7.540 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.673 -4.641 9.643 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.021 -6.948 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.833 -7.422 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.329 -6.413 9.734 1.00 0.00 H new ATOM 1015 N TYR A 70 -11.178 -3.913 5.439 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.636 -2.827 4.580 1.00 0.00 C ATOM 1017 C TYR A 70 -12.913 -2.198 5.131 1.00 0.00 C ATOM 1018 O TYR A 70 -13.747 -2.877 5.732 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.870 -3.333 3.155 1.00 0.00 C ATOM 1020 CG TYR A 70 -10.636 -3.911 2.500 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -9.390 -3.791 3.096 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -10.722 -4.577 1.286 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -8.259 -4.317 2.502 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -9.598 -5.107 0.682 1.00 0.00 C ATOM 1025 CZ TYR A 70 -8.368 -4.976 1.293 1.00 0.00 C ATOM 1026 OH TYR A 70 -7.246 -5.504 0.697 1.00 0.00 O ATOM 0 H TYR A 70 -11.325 -4.846 5.054 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.858 -2.063 4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.650 -4.094 3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.242 -2.510 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.302 -3.277 4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.683 -4.683 0.805 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.296 -4.214 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.682 -5.621 -0.264 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.600 -5.763 1.387 1.00 0.00 H new ATOM 1036 N THR A 71 -13.061 -0.894 4.921 1.00 0.00 N ATOM 1037 CA THR A 71 -14.286 -0.195 5.283 1.00 0.00 C ATOM 1038 C THR A 71 -15.144 0.085 4.056 1.00 0.00 C ATOM 1039 O THR A 71 -16.369 0.182 4.148 1.00 0.00 O ATOM 1040 CB THR A 71 -13.987 1.134 6.002 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.299 2.020 5.108 1.00 0.00 O ATOM 1042 CG2 THR A 71 -13.125 0.893 7.232 1.00 0.00 C ATOM 0 H THR A 71 -12.346 -0.300 4.501 1.00 0.00 H new ATOM 0 HA THR A 71 -14.832 -0.850 5.962 1.00 0.00 H new ATOM 0 HB THR A 71 -14.931 1.581 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.245 2.912 5.509 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.924 1.843 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.649 0.229 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.183 0.434 6.932 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.495 0.215 2.903 1.00 0.00 N ATOM 1051 CA LYS A 72 -15.201 0.454 1.649 1.00 0.00 C ATOM 1052 C LYS A 72 -14.290 0.194 0.454 1.00 0.00 C ATOM 1053 O LYS A 72 -13.108 0.540 0.476 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.741 1.885 1.600 1.00 0.00 C ATOM 1055 CG LYS A 72 -16.629 2.181 0.399 1.00 0.00 C ATOM 1056 CD LYS A 72 -17.958 1.449 0.498 1.00 0.00 C ATOM 1057 CE LYS A 72 -18.812 1.681 -0.739 1.00 0.00 C ATOM 1058 NZ LYS A 72 -20.075 0.895 -0.699 1.00 0.00 N ATOM 0 H LYS A 72 -13.481 0.159 2.811 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.041 -0.239 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.307 2.078 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.900 2.578 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.807 3.254 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.116 1.885 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.779 0.381 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.497 1.788 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.048 2.742 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.244 1.409 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.554 0.960 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.858 -0.101 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.697 1.275 0.043 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.847 -0.416 -0.588 1.00 0.00 N ATOM 1073 CA VAL A 73 -14.124 -0.602 -1.840 1.00 0.00 C ATOM 1074 C VAL A 73 -14.993 -0.230 -3.035 1.00 0.00 C ATOM 1075 O VAL A 73 -16.086 -0.768 -3.216 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.640 -2.056 -2.001 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.954 -2.242 -3.347 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.698 -2.432 -0.868 1.00 0.00 C ATOM 0 H VAL A 73 -15.796 -0.789 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.257 0.057 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.507 -2.715 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.618 -3.274 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.656 -2.012 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.096 -1.573 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.366 -3.462 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.834 -1.768 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.218 -2.336 0.085 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.500 0.696 -3.853 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.257 1.188 -4.997 1.00 0.00 C ATOM 1090 C VAL A 74 -14.461 1.038 -6.289 1.00 0.00 C ATOM 1091 O VAL A 74 -13.431 1.683 -6.472 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.656 2.665 -4.819 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.428 3.159 -6.034 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.482 2.845 -3.555 1.00 0.00 C ATOM 0 H VAL A 74 -13.579 1.120 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.162 0.583 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.746 3.258 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.702 4.204 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.805 3.066 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.331 2.561 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.755 3.895 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.386 2.240 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.898 2.530 -2.691 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.949 0.181 -7.181 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.368 0.054 -8.513 1.00 0.00 C ATOM 1106 C GLU A 75 -12.847 -0.042 -8.437 1.00 0.00 C ATOM 1107 O GLU A 75 -12.137 0.481 -9.295 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.779 1.237 -9.393 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.278 1.349 -9.634 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.602 2.522 -10.517 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.699 3.242 -10.873 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.731 2.635 -10.931 1.00 0.00 O ATOM 0 H GLU A 75 -15.743 -0.434 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.748 -0.864 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.428 2.159 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.274 1.152 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.644 0.432 -10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.795 1.455 -8.680 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.353 -0.716 -7.402 1.00 0.00 N ATOM 1120 CA ASN A 76 -10.917 -0.855 -7.196 1.00 0.00 C ATOM 1121 C ASN A 76 -10.223 0.502 -7.269 1.00 0.00 C ATOM 1122 O ASN A 76 -9.095 0.610 -7.751 1.00 0.00 O ATOM 1123 CB ASN A 76 -10.302 -1.817 -8.195 1.00 0.00 C ATOM 1124 CG ASN A 76 -10.924 -3.185 -8.180 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -10.835 -3.919 -7.188 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -11.483 -3.565 -9.301 1.00 0.00 N ATOM 0 H ASN A 76 -12.927 -1.174 -6.694 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.770 -1.268 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.396 -1.396 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.236 -1.910 -7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.870 -4.505 -9.385 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.531 -2.921 -10.091 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.905 1.537 -6.789 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.517 2.911 -7.081 1.00 0.00 C ATOM 1135 C LYS A 77 -10.520 3.758 -5.813 1.00 0.00 C ATOM 1136 O LYS A 77 -9.728 4.692 -5.677 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.451 3.522 -8.127 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.019 4.893 -8.632 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.921 5.377 -9.757 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.587 6.805 -10.159 1.00 0.00 C ATOM 1141 NZ LYS A 77 -10.234 6.910 -10.770 1.00 0.00 N ATOM 0 H LYS A 77 -11.730 1.449 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.504 2.897 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.521 2.841 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.451 3.604 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.042 5.609 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.989 4.845 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.814 4.720 -10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.963 5.320 -9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.333 7.167 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.640 7.450 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.188 7.761 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.518 6.974 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.050 6.068 -11.352 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.412 3.426 -4.886 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.394 4.026 -3.557 1.00 0.00 C ATOM 1157 C ARG A 78 -11.444 2.950 -2.475 1.00 0.00 C ATOM 1158 O ARG A 78 -12.450 2.255 -2.324 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.497 5.056 -3.374 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.408 6.259 -4.299 1.00 0.00 C ATOM 1161 CD ARG A 78 -11.337 7.226 -3.946 1.00 0.00 C ATOM 1162 NE ARG A 78 -11.304 8.419 -4.777 1.00 0.00 N ATOM 1163 CZ ARG A 78 -10.654 8.515 -5.953 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -9.951 7.508 -6.423 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -10.721 9.659 -6.611 1.00 0.00 N ATOM 0 H ARG A 78 -12.157 2.744 -5.031 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.451 4.563 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.459 4.568 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.479 5.407 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.242 5.908 -5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.366 6.778 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.465 7.526 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.373 6.723 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.809 9.241 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.892 6.637 -5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.465 7.598 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.254 10.438 -6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.239 9.763 -7.504 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.355 2.820 -1.726 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.218 1.739 -0.759 1.00 0.00 C ATOM 1181 C ILE A 79 -9.634 2.246 0.556 1.00 0.00 C ATOM 1182 O ILE A 79 -8.592 2.901 0.569 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.331 0.604 -1.302 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.944 0.008 -2.572 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -9.137 -0.472 -0.245 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -9.088 -1.055 -3.223 1.00 0.00 C ATOM 0 H ILE A 79 -9.554 3.450 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.220 1.349 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.354 1.018 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.916 -0.421 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.120 0.809 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.508 -1.267 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.658 -0.038 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.106 -0.884 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.589 -1.429 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.124 -0.627 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.933 -1.876 -2.523 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.314 1.939 1.656 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.806 2.272 2.983 1.00 0.00 C ATOM 1200 C GLU A 80 -9.621 1.014 3.825 1.00 0.00 C ATOM 1201 O GLU A 80 -10.503 0.156 3.884 1.00 0.00 O ATOM 1202 CB GLU A 80 -10.750 3.247 3.689 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.283 3.684 5.071 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.283 4.598 5.722 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.407 4.630 5.279 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -10.958 5.179 6.731 1.00 0.00 O ATOM 0 H GLU A 80 -11.215 1.462 1.656 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.834 2.751 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.873 4.131 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.731 2.782 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.127 2.807 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.322 4.192 4.989 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.468 0.910 4.478 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.072 -0.329 5.137 1.00 0.00 C ATOM 1215 C TYR A 81 -7.257 -0.039 6.394 1.00 0.00 C ATOM 1216 O TYR A 81 -6.800 1.083 6.606 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.269 -1.212 4.180 1.00 0.00 C ATOM 1218 CG TYR A 81 -5.975 -0.588 3.708 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -5.952 0.255 2.607 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -4.779 -0.845 4.362 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.773 0.830 2.172 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -3.594 -0.277 3.937 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.596 0.560 2.839 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.418 1.128 2.409 1.00 0.00 O ATOM 0 H TYR A 81 -7.792 1.669 4.565 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.978 -0.861 5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.046 -2.157 4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.886 -1.445 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.871 0.466 2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.774 -1.502 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.773 1.487 1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.672 -0.486 4.460 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.684 0.836 2.989 1.00 0.00 H new ATOM 1234 N ALA A 82 -7.080 -1.063 7.224 1.00 0.00 N ATOM 1235 CA ALA A 82 -6.322 -0.921 8.461 1.00 0.00 C ATOM 1236 C ALA A 82 -5.124 -1.863 8.482 1.00 0.00 C ATOM 1237 O ALA A 82 -5.198 -2.990 7.991 1.00 0.00 O ATOM 1238 CB ALA A 82 -7.220 -1.179 9.662 1.00 0.00 C ATOM 0 H ALA A 82 -7.451 -1.999 7.062 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.948 0.101 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.641 -1.070 10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.041 -0.462 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.622 -2.191 9.605 1.00 0.00 H new ATOM 1244 N PHE A 83 -4.018 -1.396 9.053 1.00 0.00 N ATOM 1245 CA PHE A 83 -2.853 -2.243 9.271 1.00 0.00 C ATOM 1246 C PHE A 83 -2.364 -2.134 10.712 1.00 0.00 C ATOM 1247 O PHE A 83 -1.937 -1.069 11.155 1.00 0.00 O ATOM 1248 CB PHE A 83 -1.730 -1.871 8.301 1.00 0.00 C ATOM 1249 CG PHE A 83 -1.142 -0.511 8.548 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.734 0.624 8.013 1.00 0.00 C ATOM 1251 CD2 PHE A 83 0.004 -0.364 9.315 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -1.195 1.876 8.239 1.00 0.00 C ATOM 1253 CE2 PHE A 83 0.545 0.888 9.543 1.00 0.00 C ATOM 1254 CZ PHE A 83 -0.054 2.007 9.005 1.00 0.00 C ATOM 0 H PHE A 83 -3.905 -0.434 9.373 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.147 -3.276 9.086 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.939 -2.617 8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.115 -1.911 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.627 0.528 7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.479 -1.237 9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.666 2.751 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.437 0.989 10.143 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.369 2.985 9.183 1.00 0.00 H new ATOM 1264 N GLY A 84 -2.431 -3.246 11.439 1.00 0.00 N ATOM 1265 CA GLY A 84 -2.026 -3.245 12.833 1.00 0.00 C ATOM 1266 C GLY A 84 -2.921 -2.378 13.696 1.00 0.00 C ATOM 1267 O GLY A 84 -4.140 -2.556 13.713 1.00 0.00 O ATOM 0 H GLY A 84 -2.758 -4.146 11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.039 -4.267 13.213 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.998 -2.890 12.909 1.00 0.00 H new ATOM 1271 N ASP A 85 -2.318 -1.440 14.416 1.00 0.00 N ATOM 1272 CA ASP A 85 -3.075 -0.483 15.216 1.00 0.00 C ATOM 1273 C ASP A 85 -3.171 0.863 14.504 1.00 0.00 C ATOM 1274 O ASP A 85 -3.463 1.884 15.126 1.00 0.00 O ATOM 1275 CB ASP A 85 -2.433 -0.308 16.595 1.00 0.00 C ATOM 1276 CG ASP A 85 -1.005 0.217 16.562 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -0.472 0.367 15.488 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -0.514 0.611 17.593 1.00 0.00 O ATOM 0 H ASP A 85 -1.306 -1.321 14.463 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.083 -0.875 15.348 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.045 0.376 17.183 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.442 -1.268 17.111 1.00 0.00 H new ATOM 1283 N ARG A 86 -2.922 0.855 13.199 1.00 0.00 N ATOM 1284 CA ARG A 86 -2.999 2.074 12.400 1.00 0.00 C ATOM 1285 C ARG A 86 -3.895 1.868 11.182 1.00 0.00 C ATOM 1286 O ARG A 86 -4.284 0.745 10.865 1.00 0.00 O ATOM 1287 CB ARG A 86 -1.624 2.589 12.004 1.00 0.00 C ATOM 1288 CG ARG A 86 -0.739 3.012 13.165 1.00 0.00 C ATOM 1289 CD ARG A 86 -0.933 4.419 13.603 1.00 0.00 C ATOM 1290 NE ARG A 86 -2.052 4.619 14.509 1.00 0.00 N ATOM 1291 CZ ARG A 86 -2.006 4.411 15.839 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.914 3.962 16.418 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -3.097 4.648 16.547 1.00 0.00 N ATOM 0 H ARG A 86 -2.666 0.020 12.672 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.451 2.845 13.024 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.110 1.811 11.439 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.750 3.439 11.334 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.929 2.351 14.011 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.304 2.873 12.881 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.021 4.764 14.090 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.079 5.044 12.722 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.934 4.939 14.109 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.084 3.766 15.859 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.897 3.810 17.427 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.943 4.979 16.084 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.092 4.500 17.556 1.00 0.00 H new ATOM 1307 N THR A 87 -4.218 2.965 10.500 1.00 0.00 N ATOM 1308 CA THR A 87 -5.113 2.913 9.352 1.00 0.00 C ATOM 1309 C THR A 87 -4.511 3.636 8.153 1.00 0.00 C ATOM 1310 O THR A 87 -3.667 4.518 8.308 1.00 0.00 O ATOM 1311 CB THR A 87 -6.485 3.533 9.677 1.00 0.00 C ATOM 1312 OG1 THR A 87 -6.320 4.918 10.009 1.00 0.00 O ATOM 1313 CG2 THR A 87 -7.134 2.810 10.848 1.00 0.00 C ATOM 0 H THR A 87 -3.873 3.898 10.724 1.00 0.00 H new ATOM 0 HA THR A 87 -5.250 1.860 9.107 1.00 0.00 H new ATOM 0 HB THR A 87 -7.127 3.435 8.801 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.194 5.312 10.214 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.102 3.262 11.063 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.272 1.759 10.595 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.493 2.891 11.726 1.00 0.00 H new ATOM 1321 N ALA A 88 -4.949 3.254 6.957 1.00 0.00 N ATOM 1322 CA ALA A 88 -4.511 3.919 5.736 1.00 0.00 C ATOM 1323 C ALA A 88 -5.570 3.811 4.643 1.00 0.00 C ATOM 1324 O ALA A 88 -6.377 2.883 4.636 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.193 3.328 5.257 1.00 0.00 C ATOM 0 H ALA A 88 -5.606 2.488 6.808 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.363 4.976 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.878 3.834 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.433 3.462 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.323 2.265 5.056 1.00 0.00 H new ATOM 1331 N LYS A 89 -5.560 4.768 3.721 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.525 4.788 2.629 1.00 0.00 C ATOM 1333 C LYS A 89 -5.832 5.050 1.295 1.00 0.00 C ATOM 1334 O LYS A 89 -5.024 5.969 1.173 1.00 0.00 O ATOM 1335 CB LYS A 89 -7.600 5.846 2.883 1.00 0.00 C ATOM 1336 CG LYS A 89 -8.711 5.876 1.840 1.00 0.00 C ATOM 1337 CD LYS A 89 -9.768 6.914 2.188 1.00 0.00 C ATOM 1338 CE LYS A 89 -10.882 6.938 1.152 1.00 0.00 C ATOM 1339 NZ LYS A 89 -11.944 7.921 1.500 1.00 0.00 N ATOM 0 H LYS A 89 -4.894 5.540 3.709 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.001 3.809 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.043 5.669 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.126 6.827 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.288 6.099 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.174 4.892 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.187 6.695 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.306 7.899 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.464 7.185 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.321 5.944 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.684 7.906 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.361 7.671 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.531 8.874 1.555 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.157 4.235 0.294 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.547 4.364 -1.024 1.00 0.00 C ATOM 1355 C VAL A 90 -6.575 4.789 -2.065 1.00 0.00 C ATOM 1356 O VAL A 90 -7.673 4.237 -2.130 1.00 0.00 O ATOM 1357 CB VAL A 90 -4.890 3.045 -1.474 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -5.914 1.919 -1.492 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.253 3.208 -2.846 1.00 0.00 C ATOM 0 H VAL A 90 -6.838 3.480 0.372 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.778 5.132 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.108 2.788 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.433 0.995 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.326 1.786 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.717 2.169 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.794 2.267 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.017 3.488 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.491 3.986 -2.803 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.211 5.774 -2.880 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.091 6.254 -3.939 1.00 0.00 C ATOM 1371 C GLU A 91 -6.367 6.270 -5.283 1.00 0.00 C ATOM 1372 O GLU A 91 -5.170 6.548 -5.352 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.620 7.650 -3.608 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.376 7.740 -2.288 1.00 0.00 C ATOM 1375 CD GLU A 91 -8.910 9.125 -2.058 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.695 9.972 -2.893 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.628 9.313 -1.104 1.00 0.00 O ATOM 0 H GLU A 91 -5.313 6.255 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.935 5.568 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.782 8.346 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.279 7.976 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.200 7.026 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.714 7.462 -1.468 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.102 5.967 -6.347 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.517 5.876 -7.679 1.00 0.00 C ATOM 1386 C PHE A 92 -7.105 6.937 -8.606 1.00 0.00 C ATOM 1387 O PHE A 92 -8.323 7.075 -8.716 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.736 4.480 -8.267 1.00 0.00 C ATOM 1389 CG PHE A 92 -6.020 3.391 -7.522 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -4.713 3.056 -7.842 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -6.651 2.698 -6.500 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -4.052 2.053 -7.160 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -5.992 1.695 -5.815 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.692 1.372 -6.144 1.00 0.00 C ATOM 0 H PHE A 92 -8.104 5.780 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.445 6.054 -7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.804 4.262 -8.273 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.404 4.477 -9.305 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.205 3.586 -8.634 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.669 2.945 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.035 1.802 -7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.495 1.163 -5.021 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.176 0.589 -5.608 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.229 7.685 -9.267 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.655 8.651 -10.276 1.00 0.00 C ATOM 1406 C LEU A 93 -6.096 8.289 -11.648 1.00 0.00 C ATOM 1407 O LEU A 93 -4.885 8.156 -11.818 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.219 10.066 -9.876 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.489 11.153 -10.924 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -7.990 11.324 -11.124 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.853 12.460 -10.477 1.00 0.00 C ATOM 0 H LEU A 93 -5.220 7.642 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.743 8.624 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.730 10.339 -8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.151 10.052 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.049 10.857 -11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.172 12.098 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.421 10.383 -11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.452 11.614 -10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.045 13.232 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.280 12.764 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.777 12.322 -10.367 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.987 8.132 -12.622 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.581 7.780 -13.977 1.00 0.00 C ATOM 1425 C GLU A 94 -6.160 9.022 -14.759 1.00 0.00 C ATOM 1426 O GLU A 94 -6.939 9.961 -14.921 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.715 7.057 -14.707 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.364 6.597 -16.115 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.526 5.899 -16.766 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.558 5.797 -16.146 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.422 5.568 -17.924 1.00 0.00 O ATOM 0 H GLU A 94 -7.993 8.243 -12.498 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.724 7.109 -13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.015 6.190 -14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.578 7.720 -14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.069 7.456 -16.718 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.507 5.924 -16.077 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.921 9.018 -15.243 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.414 10.120 -16.052 1.00 0.00 C ATOM 1440 C ALA A 95 -4.133 9.665 -17.480 1.00 0.00 C ATOM 1441 O ALA A 95 -3.941 8.482 -17.755 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.157 10.699 -15.423 1.00 0.00 C ATOM 0 H ALA A 95 -4.251 8.264 -15.089 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.179 10.896 -16.089 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.788 11.521 -16.037 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.387 11.067 -14.423 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.393 9.924 -15.357 1.00 0.00 H new ATOM 1448 N PRO A 96 -4.108 10.629 -18.414 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.817 10.356 -19.824 1.00 0.00 C ATOM 1450 C PRO A 96 -2.379 9.901 -20.042 1.00 0.00 C ATOM 1451 O PRO A 96 -2.085 9.184 -20.999 1.00 0.00 O ATOM 1452 CB PRO A 96 -4.103 11.689 -20.523 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.920 12.715 -19.456 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.410 12.065 -18.189 1.00 0.00 C ATOM 0 HA PRO A 96 -4.420 9.537 -20.216 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.420 11.856 -21.356 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.114 11.715 -20.930 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.874 13.008 -19.368 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.487 13.619 -19.679 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.895 12.453 -17.310 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.476 12.234 -18.034 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.488 10.321 -19.150 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.071 10.002 -19.276 1.00 0.00 C ATOM 1464 C GLN A 97 0.296 8.801 -18.412 1.00 0.00 C ATOM 1465 O GLN A 97 1.301 8.134 -18.653 1.00 0.00 O ATOM 1466 CB GLN A 97 0.788 11.207 -18.884 1.00 0.00 C ATOM 1467 CG GLN A 97 0.558 12.441 -19.739 1.00 0.00 C ATOM 1468 CD GLN A 97 0.826 12.184 -21.211 1.00 0.00 C ATOM 1469 OE1 GLN A 97 1.856 11.611 -21.577 1.00 0.00 O ATOM 1470 NE2 GLN A 97 -0.099 12.610 -22.064 1.00 0.00 N ATOM 0 H GLN A 97 -1.722 10.883 -18.332 1.00 0.00 H new ATOM 0 HA GLN A 97 0.124 9.752 -20.319 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.588 11.458 -17.842 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.839 10.926 -18.948 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.470 12.780 -19.614 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.204 13.247 -19.390 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.936 13.079 -21.717 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.027 12.468 -23.066 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.527 8.531 -17.403 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.223 7.467 -16.464 1.00 0.00 C ATOM 1481 C GLY A 98 -1.316 7.277 -15.430 1.00 0.00 C ATOM 1482 O GLY A 98 -2.384 7.879 -15.529 1.00 0.00 O ATOM 0 H GLY A 98 -1.398 9.030 -17.219 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.078 6.535 -17.010 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.717 7.690 -15.958 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.048 6.436 -14.436 1.00 0.00 N ATOM 1487 CA VAL A 99 -1.985 6.226 -13.340 1.00 0.00 C ATOM 1488 C VAL A 99 -1.403 6.715 -12.017 1.00 0.00 C ATOM 1489 O VAL A 99 -0.300 6.326 -11.630 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.371 4.741 -13.203 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.373 4.553 -12.074 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -2.942 4.216 -14.512 1.00 0.00 C ATOM 0 H VAL A 99 -0.190 5.889 -14.368 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.879 6.803 -13.576 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.472 4.172 -12.965 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.635 3.498 -11.992 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.933 4.892 -11.136 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.271 5.134 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.209 3.166 -14.397 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.830 4.789 -14.777 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.196 4.316 -15.301 1.00 0.00 H new ATOM 1502 N THR A 100 -2.151 7.570 -11.328 1.00 0.00 N ATOM 1503 CA THR A 100 -1.664 8.196 -10.105 1.00 0.00 C ATOM 1504 C THR A 100 -2.198 7.479 -8.870 1.00 0.00 C ATOM 1505 O THR A 100 -3.407 7.316 -8.707 1.00 0.00 O ATOM 1506 CB THR A 100 -2.061 9.682 -10.036 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.448 10.394 -11.119 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.614 10.292 -8.716 1.00 0.00 C ATOM 0 H THR A 100 -3.096 7.845 -11.596 1.00 0.00 H new ATOM 0 HA THR A 100 -0.577 8.121 -10.123 1.00 0.00 H new ATOM 0 HB THR A 100 -3.146 9.757 -10.111 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.475 10.396 -11.000 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.903 11.343 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.088 9.760 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.531 10.211 -8.626 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.288 7.051 -8.001 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.665 6.327 -6.792 1.00 0.00 C ATOM 1518 C VAL A 101 -1.369 7.152 -5.545 1.00 0.00 C ATOM 1519 O VAL A 101 -0.235 7.570 -5.319 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.932 4.976 -6.690 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.376 4.222 -5.445 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.181 4.139 -7.936 1.00 0.00 C ATOM 0 H VAL A 101 -0.284 7.193 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.737 6.142 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 101 0.138 5.170 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.848 3.270 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.149 4.816 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.450 4.039 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.656 3.188 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.250 3.954 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.816 4.674 -8.813 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.400 7.380 -4.736 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.260 8.190 -3.531 1.00 0.00 C ATOM 1534 C ARG A 102 -2.621 7.381 -2.289 1.00 0.00 C ATOM 1535 O ARG A 102 -3.689 6.773 -2.221 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.060 9.482 -3.612 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.935 10.387 -2.396 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.765 11.617 -2.460 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.368 12.557 -3.496 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.114 13.602 -3.908 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.308 13.821 -3.403 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.623 14.387 -4.850 1.00 0.00 N ATOM 0 H ARG A 102 -3.340 7.016 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.212 8.479 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.740 10.036 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.111 9.233 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.213 9.821 -1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.890 10.674 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.804 11.331 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.722 12.120 -1.494 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.462 12.416 -3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.682 13.196 -2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.860 14.616 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.703 14.195 -5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.164 15.185 -5.182 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.723 7.379 -1.309 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.967 6.683 -0.051 1.00 0.00 C ATOM 1558 C VAL A 103 -1.812 7.625 1.138 1.00 0.00 C ATOM 1559 O VAL A 103 -0.777 8.271 1.302 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.012 5.487 0.126 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.265 4.796 1.457 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.173 4.503 -1.023 1.00 0.00 C ATOM 0 H VAL A 103 -0.820 7.851 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.992 6.315 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 103 0.012 5.860 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.582 3.954 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.102 5.503 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.293 4.436 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.491 3.664 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.199 4.136 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.944 5.002 -1.964 1.00 0.00 H new ATOM 1572 N SER A 104 -2.850 7.700 1.966 1.00 0.00 N ATOM 1573 CA SER A 104 -2.809 8.522 3.169 1.00 0.00 C ATOM 1574 C SER A 104 -3.032 7.671 4.416 1.00 0.00 C ATOM 1575 O SER A 104 -3.977 6.884 4.484 1.00 0.00 O ATOM 1576 CB SER A 104 -3.847 9.624 3.086 1.00 0.00 C ATOM 1577 OG SER A 104 -3.805 10.473 4.201 1.00 0.00 O ATOM 0 H SER A 104 -3.729 7.202 1.825 1.00 0.00 H new ATOM 0 HA SER A 104 -1.821 8.976 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.684 10.208 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.840 9.181 3.005 1.00 0.00 H new ATOM 0 HG SER A 104 -3.280 11.272 3.984 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.155 7.832 5.400 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.123 6.938 6.552 1.00 0.00 C ATOM 1585 C PHE A 105 -1.891 7.720 7.842 1.00 0.00 C ATOM 1586 O PHE A 105 -1.425 8.859 7.815 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.037 5.875 6.375 1.00 0.00 C ATOM 1588 CG PHE A 105 0.361 6.421 6.434 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.947 6.990 5.313 1.00 0.00 C ATOM 1590 CD2 PHE A 105 1.093 6.368 7.611 1.00 0.00 C ATOM 1591 CE1 PHE A 105 2.233 7.491 5.365 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.380 6.870 7.666 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.950 7.432 6.543 1.00 0.00 C ATOM 0 H PHE A 105 -1.456 8.574 5.423 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.091 6.442 6.622 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.154 5.117 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.182 5.377 5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.391 7.042 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.653 5.930 8.494 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.678 7.929 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.939 6.822 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.955 7.825 6.585 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.220 7.100 8.970 1.00 0.00 N ATOM 1604 CA VAL A 106 -1.985 7.709 10.274 1.00 0.00 C ATOM 1605 C VAL A 106 -0.555 7.467 10.743 1.00 0.00 C ATOM 1606 O VAL A 106 -0.069 6.336 10.730 1.00 0.00 O ATOM 1607 CB VAL A 106 -2.962 7.169 11.335 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.645 7.759 12.701 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.399 7.479 10.942 1.00 0.00 C ATOM 0 H VAL A 106 -2.650 6.176 9.008 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.150 8.780 10.156 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.845 6.087 11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.345 7.366 13.438 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.628 7.489 12.987 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.734 8.845 12.658 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.076 7.090 11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.529 8.558 10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.623 7.011 9.983 1.00 0.00 H new ATOM 1619 N ALA A 107 0.113 8.538 11.158 1.00 0.00 N ATOM 1620 CA ALA A 107 1.490 8.443 11.630 1.00 0.00 C ATOM 1621 C ALA A 107 1.559 7.747 12.986 1.00 0.00 C ATOM 1622 O ALA A 107 0.756 8.023 13.876 1.00 0.00 O ATOM 1623 CB ALA A 107 2.115 9.827 11.714 1.00 0.00 C ATOM 0 H ALA A 107 -0.276 9.481 11.177 1.00 0.00 H new ATOM 0 HA ALA A 107 2.053 7.844 10.914 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.142 9.741 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.108 10.290 10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.543 10.443 12.408 1.00 0.00 H new ATOM 1629 N GLU A 108 2.523 6.844 13.134 1.00 0.00 N ATOM 1630 CA GLU A 108 2.734 6.154 14.401 1.00 0.00 C ATOM 1631 C GLU A 108 3.381 7.082 15.425 1.00 0.00 C ATOM 1632 O GLU A 108 4.449 7.646 15.182 1.00 0.00 O ATOM 1633 CB GLU A 108 3.597 4.907 14.196 1.00 0.00 C ATOM 1634 CG GLU A 108 3.871 4.116 15.467 1.00 0.00 C ATOM 1635 CD GLU A 108 2.594 3.775 16.184 1.00 0.00 C ATOM 1636 OE1 GLU A 108 1.715 3.228 15.562 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.538 3.958 17.377 1.00 0.00 O ATOM 0 H GLU A 108 3.170 6.573 12.393 1.00 0.00 H new ATOM 0 HA GLU A 108 1.761 5.846 14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.105 4.254 13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.549 5.207 13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.407 3.200 15.219 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.517 4.695 16.126 1.00 0.00 H new ATOM 1644 N THR A 109 2.728 7.236 16.573 1.00 0.00 N ATOM 1645 CA THR A 109 3.170 8.190 17.582 1.00 0.00 C ATOM 1646 C THR A 109 4.517 7.787 18.167 1.00 0.00 C ATOM 1647 O THR A 109 5.254 8.625 18.686 1.00 0.00 O ATOM 1648 CB THR A 109 2.144 8.320 18.723 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.979 7.051 19.369 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.801 8.788 18.183 1.00 0.00 C ATOM 0 H THR A 109 1.891 6.712 16.827 1.00 0.00 H new ATOM 0 HA THR A 109 3.268 9.154 17.082 1.00 0.00 H new ATOM 0 HB THR A 109 2.512 9.055 19.439 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.327 7.136 20.096 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.089 8.874 19.004 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.920 9.759 17.703 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.430 8.067 17.455 1.00 0.00 H new ATOM 1658 N GLU A 110 4.834 6.500 18.080 1.00 0.00 N ATOM 1659 CA GLU A 110 6.093 5.984 18.608 1.00 0.00 C ATOM 1660 C GLU A 110 7.267 6.427 17.740 1.00 0.00 C ATOM 1661 O GLU A 110 8.423 6.355 18.157 1.00 0.00 O ATOM 1662 CB GLU A 110 6.052 4.457 18.703 1.00 0.00 C ATOM 1663 CG GLU A 110 5.097 3.919 19.760 1.00 0.00 C ATOM 1664 CD GLU A 110 5.060 2.416 19.748 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.731 1.831 18.931 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.451 1.850 20.624 1.00 0.00 O ATOM 0 H GLU A 110 4.237 5.794 17.649 1.00 0.00 H new ATOM 0 HA GLU A 110 6.231 6.392 19.609 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.766 4.052 17.732 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.056 4.091 18.918 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.406 4.269 20.745 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.096 4.311 19.582 1.00 0.00 H new ATOM 1673 N TYR A 111 6.962 6.884 16.530 1.00 0.00 N ATOM 1674 CA TYR A 111 7.991 7.346 15.607 1.00 0.00 C ATOM 1675 C TYR A 111 7.707 8.772 15.144 1.00 0.00 C ATOM 1676 O TYR A 111 6.560 9.215 15.081 1.00 0.00 O ATOM 1677 CB TYR A 111 8.089 6.410 14.399 1.00 0.00 C ATOM 1678 CG TYR A 111 8.591 5.024 14.739 1.00 0.00 C ATOM 1679 CD1 TYR A 111 7.710 4.011 15.087 1.00 0.00 C ATOM 1680 CD2 TYR A 111 9.947 4.733 14.707 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.164 2.743 15.397 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.413 3.468 15.015 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.518 2.476 15.359 1.00 0.00 C ATOM 1684 OH TYR A 111 9.976 1.216 15.666 1.00 0.00 O ATOM 0 H TYR A 111 6.011 6.944 16.166 1.00 0.00 H new ATOM 0 HA TYR A 111 8.944 7.339 16.135 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.106 6.327 13.935 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.754 6.856 13.659 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.650 4.217 15.116 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.650 5.507 14.437 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.464 1.966 15.667 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.472 3.258 14.986 1.00 0.00 H new ATOM 0 HH TYR A 111 10.953 1.196 15.590 1.00 0.00 H new ATOM 1694 N PRO A 112 8.776 9.509 14.812 1.00 0.00 N ATOM 1695 CA PRO A 112 8.667 10.878 14.299 1.00 0.00 C ATOM 1696 C PRO A 112 8.006 10.932 12.926 1.00 0.00 C ATOM 1697 O PRO A 112 8.123 9.998 12.133 1.00 0.00 O ATOM 1698 CB PRO A 112 10.116 11.372 14.253 1.00 0.00 C ATOM 1699 CG PRO A 112 10.928 10.128 14.128 1.00 0.00 C ATOM 1700 CD PRO A 112 10.193 9.089 14.933 1.00 0.00 C ATOM 0 HA PRO A 112 8.031 11.502 14.928 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.281 12.041 13.408 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.375 11.927 15.155 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.022 9.823 13.086 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.938 10.278 14.509 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.351 8.086 14.537 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.522 9.077 15.972 1.00 0.00 H new ATOM 1708 N VAL A 113 7.313 12.033 12.650 1.00 0.00 N ATOM 1709 CA VAL A 113 6.589 12.185 11.395 1.00 0.00 C ATOM 1710 C VAL A 113 7.503 11.939 10.199 1.00 0.00 C ATOM 1711 O VAL A 113 7.102 11.312 9.218 1.00 0.00 O ATOM 1712 CB VAL A 113 5.963 13.587 11.270 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.411 13.802 9.869 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.866 13.774 12.307 1.00 0.00 C ATOM 0 H VAL A 113 7.238 12.832 13.279 1.00 0.00 H new ATOM 0 HA VAL A 113 5.793 11.441 11.399 1.00 0.00 H new ATOM 0 HB VAL A 113 6.741 14.328 11.452 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.973 14.798 9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.218 13.709 9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.646 13.054 9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.434 14.770 12.205 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.089 13.025 12.154 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.287 13.662 13.306 1.00 0.00 H new ATOM 1724 N GLU A 114 8.733 12.434 10.290 1.00 0.00 N ATOM 1725 CA GLU A 114 9.688 12.310 9.196 1.00 0.00 C ATOM 1726 C GLU A 114 9.980 10.843 8.892 1.00 0.00 C ATOM 1727 O GLU A 114 10.082 10.446 7.732 1.00 0.00 O ATOM 1728 CB GLU A 114 10.986 13.049 9.530 1.00 0.00 C ATOM 1729 CG GLU A 114 10.861 14.566 9.538 1.00 0.00 C ATOM 1730 CD GLU A 114 12.135 15.216 10.000 1.00 0.00 C ATOM 1731 OE1 GLU A 114 13.041 14.508 10.368 1.00 0.00 O ATOM 1732 OE2 GLU A 114 12.245 16.414 9.879 1.00 0.00 O ATOM 0 H GLU A 114 9.091 12.924 11.110 1.00 0.00 H new ATOM 0 HA GLU A 114 9.245 12.763 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.336 12.720 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.749 12.763 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.613 14.918 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.041 14.862 10.192 1.00 0.00 H new ATOM 1739 N GLN A 115 10.113 10.042 9.945 1.00 0.00 N ATOM 1740 CA GLN A 115 10.451 8.632 9.794 1.00 0.00 C ATOM 1741 C GLN A 115 9.335 7.879 9.076 1.00 0.00 C ATOM 1742 O GLN A 115 9.597 7.038 8.216 1.00 0.00 O ATOM 1743 CB GLN A 115 10.711 7.993 11.162 1.00 0.00 C ATOM 1744 CG GLN A 115 11.103 6.525 11.098 1.00 0.00 C ATOM 1745 CD GLN A 115 12.415 6.308 10.370 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.400 7.013 10.612 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.437 5.331 9.470 1.00 0.00 N ATOM 0 H GLN A 115 9.992 10.346 10.911 1.00 0.00 H new ATOM 0 HA GLN A 115 11.358 8.567 9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.503 8.548 11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.814 8.092 11.774 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.182 6.129 12.110 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.315 5.963 10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.600 4.773 9.302 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.291 5.139 8.947 1.00 0.00 H new ATOM 1756 N GLN A 116 8.093 8.186 9.436 1.00 0.00 N ATOM 1757 CA GLN A 116 6.940 7.525 8.836 1.00 0.00 C ATOM 1758 C GLN A 116 6.750 7.970 7.390 1.00 0.00 C ATOM 1759 O GLN A 116 6.448 7.157 6.516 1.00 0.00 O ATOM 1760 CB GLN A 116 5.672 7.822 9.642 1.00 0.00 C ATOM 1761 CG GLN A 116 5.621 7.138 10.997 1.00 0.00 C ATOM 1762 CD GLN A 116 5.591 5.626 10.880 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.735 5.059 10.195 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.524 4.962 11.554 1.00 0.00 N ATOM 0 H GLN A 116 7.860 8.887 10.139 1.00 0.00 H new ATOM 0 HA GLN A 116 7.125 6.451 8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.592 8.899 9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.804 7.514 9.059 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.489 7.437 11.585 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.737 7.476 11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.213 5.471 12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.552 3.943 11.517 1.00 0.00 H new ATOM 1773 N GLN A 117 6.929 9.264 7.145 1.00 0.00 N ATOM 1774 CA GLN A 117 6.781 9.815 5.802 1.00 0.00 C ATOM 1775 C GLN A 117 7.812 9.213 4.852 1.00 0.00 C ATOM 1776 O GLN A 117 7.474 8.762 3.759 1.00 0.00 O ATOM 1777 CB GLN A 117 6.924 11.338 5.827 1.00 0.00 C ATOM 1778 CG GLN A 117 6.770 12.000 4.469 1.00 0.00 C ATOM 1779 CD GLN A 117 6.936 13.506 4.536 1.00 0.00 C ATOM 1780 OE1 GLN A 117 7.242 14.064 5.594 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.729 14.176 3.408 1.00 0.00 N ATOM 0 H GLN A 117 7.176 9.950 7.858 1.00 0.00 H new ATOM 0 HA GLN A 117 5.784 9.559 5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.178 11.751 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.902 11.593 6.234 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.507 11.587 3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.787 11.764 4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.478 13.675 2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.821 15.192 3.394 1.00 0.00 H new ATOM 1790 N GLN A 118 9.072 9.213 5.278 1.00 0.00 N ATOM 1791 CA GLN A 118 10.154 8.679 4.458 1.00 0.00 C ATOM 1792 C GLN A 118 10.018 7.169 4.293 1.00 0.00 C ATOM 1793 O GLN A 118 10.339 6.619 3.241 1.00 0.00 O ATOM 1794 CB GLN A 118 11.514 9.015 5.079 1.00 0.00 C ATOM 1795 CG GLN A 118 11.900 10.481 4.976 1.00 0.00 C ATOM 1796 CD GLN A 118 13.208 10.785 5.682 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.805 9.911 6.316 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.658 12.030 5.582 1.00 0.00 N ATOM 0 H GLN A 118 9.368 9.576 6.184 1.00 0.00 H new ATOM 0 HA GLN A 118 10.089 9.143 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.502 8.727 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.282 8.414 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.984 10.759 3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.107 11.094 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.132 12.721 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.530 12.295 6.040 1.00 0.00 H new ATOM 1807 N GLY A 119 9.543 6.504 5.342 1.00 0.00 N ATOM 1808 CA GLY A 119 9.347 5.068 5.282 1.00 0.00 C ATOM 1809 C GLY A 119 8.345 4.664 4.219 1.00 0.00 C ATOM 1810 O GLY A 119 8.585 3.730 3.453 1.00 0.00 O ATOM 0 H GLY A 119 9.291 6.934 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.302 4.582 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.006 4.710 6.253 1.00 0.00 H new ATOM 1814 N TRP A 120 7.218 5.367 4.172 1.00 0.00 N ATOM 1815 CA TRP A 120 6.194 5.104 3.167 1.00 0.00 C ATOM 1816 C TRP A 120 6.671 5.523 1.781 1.00 0.00 C ATOM 1817 O TRP A 120 6.329 4.893 0.782 1.00 0.00 O ATOM 1818 CB TRP A 120 4.903 5.844 3.521 1.00 0.00 C ATOM 1819 CG TRP A 120 3.812 4.936 4.002 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.658 4.620 3.343 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.771 4.231 5.248 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.903 3.760 4.103 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.563 3.505 5.276 1.00 0.00 C ATOM 1824 CE3 TRP A 120 4.637 4.140 6.340 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 2.203 2.702 6.355 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 4.278 3.342 7.410 1.00 0.00 C ATOM 1827 CH2 TRP A 120 3.070 2.631 7.410 1.00 0.00 C ATOM 0 H TRP A 120 6.991 6.123 4.818 1.00 0.00 H new ATOM 0 HA TRP A 120 5.999 4.032 3.154 1.00 0.00 H new ATOM 0 HB2 TRP A 120 5.116 6.584 4.292 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.553 6.389 2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 120 2.380 4.992 2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.997 3.374 3.837 1.00 0.00 H new ATOM 0 HE3 TRP A 120 5.570 4.683 6.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.272 2.155 6.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.939 3.265 8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 120 2.819 2.015 8.261 1.00 0.00 H new ATOM 1838 N GLN A 121 7.464 6.589 1.730 1.00 0.00 N ATOM 1839 CA GLN A 121 8.040 7.051 0.473 1.00 0.00 C ATOM 1840 C GLN A 121 9.008 6.020 -0.095 1.00 0.00 C ATOM 1841 O GLN A 121 9.042 5.782 -1.302 1.00 0.00 O ATOM 1842 CB GLN A 121 8.763 8.386 0.672 1.00 0.00 C ATOM 1843 CG GLN A 121 9.312 8.994 -0.607 1.00 0.00 C ATOM 1844 CD GLN A 121 8.215 9.375 -1.584 1.00 0.00 C ATOM 1845 OE1 GLN A 121 7.298 10.128 -1.247 1.00 0.00 O ATOM 1846 NE2 GLN A 121 8.302 8.851 -2.802 1.00 0.00 N ATOM 0 H GLN A 121 7.722 7.148 2.543 1.00 0.00 H new ATOM 0 HA GLN A 121 7.224 7.190 -0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.074 9.095 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.584 8.240 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.900 9.879 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.988 8.283 -1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.078 8.233 -3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.592 9.067 -3.502 1.00 0.00 H new ATOM 1855 N ALA A 122 9.797 5.408 0.784 1.00 0.00 N ATOM 1856 CA ALA A 122 10.802 4.440 0.365 1.00 0.00 C ATOM 1857 C ALA A 122 10.152 3.209 -0.257 1.00 0.00 C ATOM 1858 O ALA A 122 10.595 2.720 -1.297 1.00 0.00 O ATOM 1859 CB ALA A 122 11.674 4.038 1.545 1.00 0.00 C ATOM 0 H ALA A 122 9.758 5.566 1.791 1.00 0.00 H new ATOM 0 HA ALA A 122 11.429 4.910 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.420 3.314 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.175 4.920 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.053 3.591 2.321 1.00 0.00 H new ATOM 1865 N ILE A 123 9.099 2.713 0.384 1.00 0.00 N ATOM 1866 CA ILE A 123 8.376 1.552 -0.116 1.00 0.00 C ATOM 1867 C ILE A 123 7.520 1.916 -1.326 1.00 0.00 C ATOM 1868 O ILE A 123 7.303 1.093 -2.216 1.00 0.00 O ATOM 1869 CB ILE A 123 7.477 0.934 0.970 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.408 1.935 1.411 1.00 0.00 C ATOM 1871 CG2 ILE A 123 8.314 0.485 2.159 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.414 1.371 2.401 1.00 0.00 C ATOM 0 H ILE A 123 8.728 3.099 1.252 1.00 0.00 H new ATOM 0 HA ILE A 123 9.126 0.818 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 123 6.977 0.060 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.897 2.802 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.870 2.288 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.664 0.050 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.039 -0.260 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.839 1.343 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.688 2.140 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.897 0.522 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.940 1.044 3.298 1.00 0.00 H new ATOM 1884 N LEU A 124 7.041 3.154 -1.352 1.00 0.00 N ATOM 1885 CA LEU A 124 6.308 3.666 -2.505 1.00 0.00 C ATOM 1886 C LEU A 124 7.227 3.807 -3.716 1.00 0.00 C ATOM 1887 O LEU A 124 6.801 3.623 -4.855 1.00 0.00 O ATOM 1888 CB LEU A 124 5.659 5.014 -2.167 1.00 0.00 C ATOM 1889 CG LEU A 124 4.613 5.506 -3.175 1.00 0.00 C ATOM 1890 CD1 LEU A 124 3.442 4.533 -3.229 1.00 0.00 C ATOM 1891 CD2 LEU A 124 4.140 6.897 -2.781 1.00 0.00 C ATOM 0 H LEU A 124 7.147 3.822 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 124 5.524 2.952 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.188 4.937 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 124 6.443 5.766 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 124 5.061 5.557 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.704 4.891 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.800 3.550 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.983 4.461 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.397 7.245 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.696 6.862 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 124 4.988 7.582 -2.776 1.00 0.00 H new ATOM 1903 N ASN A 125 8.490 4.131 -3.460 1.00 0.00 N ATOM 1904 CA ASN A 125 9.493 4.195 -4.516 1.00 0.00 C ATOM 1905 C ASN A 125 9.686 2.827 -5.165 1.00 0.00 C ATOM 1906 O ASN A 125 9.842 2.722 -6.381 1.00 0.00 O ATOM 1907 CB ASN A 125 10.816 4.724 -3.996 1.00 0.00 C ATOM 1908 CG ASN A 125 10.803 6.197 -3.692 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.924 6.937 -4.149 1.00 0.00 O ATOM 1910 ND2 ASN A 125 11.816 6.639 -2.992 1.00 0.00 N ATOM 0 H ASN A 125 8.843 4.353 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 125 9.127 4.891 -5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 125 11.085 4.178 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 125 11.593 4.521 -4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.907 7.637 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 125 12.515 5.986 -2.637 1.00 0.00 H new ATOM 1917 N ASN A 126 9.677 1.783 -4.343 1.00 0.00 N ATOM 1918 CA ASN A 126 9.710 0.415 -4.847 1.00 0.00 C ATOM 1919 C ASN A 126 8.437 0.088 -5.622 1.00 0.00 C ATOM 1920 O ASN A 126 8.479 -0.591 -6.648 1.00 0.00 O ATOM 1921 CB ASN A 126 9.916 -0.587 -3.725 1.00 0.00 C ATOM 1922 CG ASN A 126 11.307 -0.582 -3.157 1.00 0.00 C ATOM 1923 OD1 ASN A 126 12.230 0.015 -3.725 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.482 -1.312 -2.085 1.00 0.00 N ATOM 0 H ASN A 126 9.647 1.858 -3.326 1.00 0.00 H new ATOM 0 HA ASN A 126 10.559 0.340 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.206 -0.375 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.688 -1.586 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.413 -1.409 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.687 -1.784 -1.654 1.00 0.00 H new ATOM 1931 N PHE A 127 7.307 0.578 -5.125 1.00 0.00 N ATOM 1932 CA PHE A 127 6.034 0.422 -5.820 1.00 0.00 C ATOM 1933 C PHE A 127 6.096 1.044 -7.212 1.00 0.00 C ATOM 1934 O PHE A 127 5.676 0.434 -8.197 1.00 0.00 O ATOM 1935 CB PHE A 127 4.899 1.052 -5.010 1.00 0.00 C ATOM 1936 CG PHE A 127 3.561 0.989 -5.690 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.753 -0.130 -5.559 1.00 0.00 C ATOM 1938 CD2 PHE A 127 3.110 2.049 -6.462 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.522 -0.188 -6.185 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.879 1.993 -7.088 1.00 0.00 C ATOM 1941 CZ PHE A 127 1.084 0.873 -6.949 1.00 0.00 C ATOM 0 H PHE A 127 7.246 1.087 -4.243 1.00 0.00 H new ATOM 0 HA PHE A 127 5.837 -0.645 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.830 0.548 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.145 2.095 -4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.089 -0.965 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.727 2.928 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.902 -1.066 -6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.539 2.826 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.122 0.828 -7.437 1.00 0.00 H new ATOM 1951 N LYS A 128 6.624 2.260 -7.288 1.00 0.00 N ATOM 1952 CA LYS A 128 6.742 2.968 -8.558 1.00 0.00 C ATOM 1953 C LYS A 128 7.611 2.186 -9.538 1.00 0.00 C ATOM 1954 O LYS A 128 7.209 1.931 -10.672 1.00 0.00 O ATOM 1955 CB LYS A 128 7.316 4.368 -8.343 1.00 0.00 C ATOM 1956 CG LYS A 128 7.495 5.179 -9.620 1.00 0.00 C ATOM 1957 CD LYS A 128 8.163 6.516 -9.338 1.00 0.00 C ATOM 1958 CE LYS A 128 8.408 7.295 -10.621 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.140 8.566 -10.371 1.00 0.00 N ATOM 0 H LYS A 128 6.978 2.778 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 128 5.743 3.063 -8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.659 4.917 -7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.282 4.279 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.096 4.613 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.524 5.347 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.536 7.104 -8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.110 6.350 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 128 8.979 6.679 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.454 7.515 -11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.286 9.065 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 8.584 9.166 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 10.062 8.356 -9.938 1.00 0.00 H new ATOM 1973 N ARG A 129 8.805 1.809 -9.091 1.00 0.00 N ATOM 1974 CA ARG A 129 9.756 1.111 -9.948 1.00 0.00 C ATOM 1975 C ARG A 129 9.234 -0.272 -10.326 1.00 0.00 C ATOM 1976 O ARG A 129 9.476 -0.756 -11.433 1.00 0.00 O ATOM 1977 CB ARG A 129 11.143 1.036 -9.325 1.00 0.00 C ATOM 1978 CG ARG A 129 11.895 2.357 -9.277 1.00 0.00 C ATOM 1979 CD ARG A 129 13.227 2.280 -8.625 1.00 0.00 C ATOM 1980 NE ARG A 129 13.964 3.533 -8.609 1.00 0.00 N ATOM 1981 CZ ARG A 129 15.163 3.708 -8.020 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.746 2.729 -7.366 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.727 4.900 -8.096 1.00 0.00 N ATOM 0 H ARG A 129 9.136 1.975 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 129 9.858 1.694 -10.863 1.00 0.00 H new ATOM 0 HB2 ARG A 129 11.049 0.651 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.739 0.315 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.023 2.726 -10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.286 3.089 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 129 13.096 1.937 -7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.826 1.528 -9.138 1.00 0.00 H new ATOM 0 HE ARG A 129 13.544 4.336 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 129 15.291 1.819 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.654 2.879 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.255 5.657 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.635 5.064 -7.660 1.00 0.00 H new ATOM 1997 N HIS A 130 8.521 -0.903 -9.402 1.00 0.00 N ATOM 1998 CA HIS A 130 7.998 -2.248 -9.623 1.00 0.00 C ATOM 1999 C HIS A 130 6.869 -2.229 -10.649 1.00 0.00 C ATOM 2000 O HIS A 130 6.901 -2.965 -11.635 1.00 0.00 O ATOM 2001 CB HIS A 130 7.504 -2.862 -8.309 1.00 0.00 C ATOM 2002 CG HIS A 130 6.877 -4.211 -8.475 1.00 0.00 C ATOM 2003 ND1 HIS A 130 7.601 -5.330 -8.829 1.00 0.00 N ATOM 2004 CD2 HIS A 130 5.594 -4.621 -8.337 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.789 -6.371 -8.899 1.00 0.00 C ATOM 2006 NE2 HIS A 130 5.567 -5.967 -8.606 1.00 0.00 N ATOM 0 H HIS A 130 8.291 -0.506 -8.491 1.00 0.00 H new ATOM 0 HA HIS A 130 8.810 -2.863 -10.011 1.00 0.00 H new ATOM 0 HB2 HIS A 130 8.343 -2.943 -7.618 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.779 -2.188 -7.853 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.750 -4.004 -8.066 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.077 -7.381 -9.153 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.737 -6.559 -8.583 1.00 0.00 H new ATOM 2013 N VAL A 131 5.872 -1.384 -10.409 1.00 0.00 N ATOM 2014 CA VAL A 131 4.668 -1.369 -11.232 1.00 0.00 C ATOM 2015 C VAL A 131 4.949 -0.771 -12.606 1.00 0.00 C ATOM 2016 O VAL A 131 4.521 -1.308 -13.627 1.00 0.00 O ATOM 2017 CB VAL A 131 3.533 -0.574 -10.560 1.00 0.00 C ATOM 2018 CG1 VAL A 131 2.360 -0.409 -11.515 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.084 -1.264 -9.281 1.00 0.00 C ATOM 0 H VAL A 131 5.874 -0.701 -9.652 1.00 0.00 H new ATOM 0 HA VAL A 131 4.353 -2.406 -11.347 1.00 0.00 H new ATOM 0 HB VAL A 131 3.911 0.416 -10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.567 0.155 -11.024 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.688 0.127 -12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.983 -1.391 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.282 -0.688 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.724 -2.266 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.925 -1.333 -8.590 1.00 0.00 H new ATOM 2029 N GLU A 132 5.674 0.344 -12.624 1.00 0.00 N ATOM 2030 CA GLU A 132 5.959 1.050 -13.868 1.00 0.00 C ATOM 2031 C GLU A 132 6.659 0.132 -14.865 1.00 0.00 C ATOM 2032 O GLU A 132 6.491 0.270 -16.077 1.00 0.00 O ATOM 2033 CB GLU A 132 6.815 2.289 -13.600 1.00 0.00 C ATOM 2034 CG GLU A 132 7.106 3.133 -14.833 1.00 0.00 C ATOM 2035 CD GLU A 132 7.865 4.379 -14.476 1.00 0.00 C ATOM 2036 OE1 GLU A 132 8.145 4.571 -13.317 1.00 0.00 O ATOM 2037 OE2 GLU A 132 8.264 5.086 -15.372 1.00 0.00 O ATOM 0 H GLU A 132 6.074 0.777 -11.792 1.00 0.00 H new ATOM 0 HA GLU A 132 5.010 1.368 -14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.311 2.911 -12.860 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.761 1.973 -13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 132 7.682 2.547 -15.550 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.169 3.403 -15.321 1.00 0.00 H new ATOM 2044 N SER A 133 7.444 -0.808 -14.347 1.00 0.00 N ATOM 2045 CA SER A 133 8.252 -1.681 -15.191 1.00 0.00 C ATOM 2046 C SER A 133 7.380 -2.727 -15.882 1.00 0.00 C ATOM 2047 O SER A 133 7.865 -3.518 -16.691 1.00 0.00 O ATOM 2048 CB SER A 133 9.334 -2.351 -14.368 1.00 0.00 C ATOM 2049 OG SER A 133 8.805 -3.268 -13.450 1.00 0.00 O ATOM 0 H SER A 133 7.537 -0.984 -13.347 1.00 0.00 H new ATOM 0 HA SER A 133 8.725 -1.072 -15.962 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.029 -2.864 -15.033 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.905 -1.592 -13.834 1.00 0.00 H new ATOM 0 HG SER A 133 8.015 -2.880 -13.019 1.00 0.00 H new ATOM 2055 N HIS A 134 6.093 -2.723 -15.554 1.00 0.00 N ATOM 2056 CA HIS A 134 5.160 -3.695 -16.116 1.00 0.00 C ATOM 2057 C HIS A 134 4.574 -3.190 -17.429 1.00 0.00 C ATOM 2058 O HIS A 134 3.712 -3.836 -18.027 1.00 0.00 O ATOM 2059 CB HIS A 134 4.035 -4.004 -15.122 1.00 0.00 C ATOM 2060 CG HIS A 134 4.509 -4.646 -13.856 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.726 -4.724 -12.723 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.685 -5.237 -13.542 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.401 -5.339 -11.767 1.00 0.00 C ATOM 2064 NE2 HIS A 134 5.592 -5.659 -12.238 1.00 0.00 N ATOM 0 H HIS A 134 5.672 -2.060 -14.904 1.00 0.00 H new ATOM 0 HA HIS A 134 5.713 -4.613 -16.314 1.00 0.00 H new ATOM 0 HB2 HIS A 134 3.515 -3.078 -14.877 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.309 -4.660 -15.602 1.00 0.00 H new ATOM 0 HD2 HIS A 134 6.537 -5.355 -14.195 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.040 -5.545 -10.770 1.00 0.00 H new ATOM 0 HE2 HIS A 134 6.325 -6.142 -11.718 1.00 0.00 H new