USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 Single : A 3 GLN : amide:sc= -1.41 K(o=-1.4,f=-3.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 12 ASN : amide:sc= -0.92 K(o=-0.92,f=-2.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= -0.103 (180deg=-1.08) USER MOD Single : A 19 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc=-0.00135 (180deg=-0.00135) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= -0.0392 (180deg=-0.583) USER MOD Single : A 32 SER OG : rot 111:sc= 0.267 USER MOD Single : A 33 ASN : amide:sc= -1.65! C(o=-1.7!,f=-8.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.317 USER MOD Single : A 38 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.066) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= -0.143 (180deg=-0.999) USER MOD Single : A 42 MET CE :methyl -149:sc= -1.53 (180deg=-4.2!) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.442 F(o=-2.2,f=-0.44) USER MOD Single : A 49 TYR OH : rot -18:sc= -2.75! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= -1.83! (180deg=-3.98!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.66) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -149:sc= 0.756 USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 0.456 (180deg=0.219) USER MOD Single : A 68 GLN : amide:sc= -3.03! C(o=-3!,f=-5.8!) USER MOD Single : A 69 THR OG1 : rot -39:sc= 0.224 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 0.475 -13.887 -8.918 1.00 0.00 N ATOM 2 CA GLN A 3 1.240 -12.960 -9.802 1.00 0.00 C ATOM 3 C GLN A 3 2.359 -13.718 -10.521 1.00 0.00 C ATOM 4 O GLN A 3 2.773 -14.775 -10.089 1.00 0.00 O ATOM 5 CB GLN A 3 1.825 -11.906 -8.863 1.00 0.00 C ATOM 6 CG GLN A 3 0.728 -10.927 -8.439 1.00 0.00 C ATOM 7 CD GLN A 3 0.414 -9.977 -9.597 1.00 0.00 C ATOM 8 OE1 GLN A 3 1.302 -9.560 -10.313 1.00 0.00 O ATOM 9 NE2 GLN A 3 -0.821 -9.614 -9.809 1.00 0.00 N ATOM 0 HA GLN A 3 0.612 -12.514 -10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.256 -12.387 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.632 -11.369 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.170 -11.474 -8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.050 -10.359 -7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.566 -9.965 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.041 -8.979 -10.577 1.00 0.00 H new ATOM 20 N PRO A 4 2.814 -13.144 -11.602 1.00 0.00 N ATOM 21 CA PRO A 4 3.900 -13.768 -12.397 1.00 0.00 C ATOM 22 C PRO A 4 5.238 -13.643 -11.661 1.00 0.00 C ATOM 23 O PRO A 4 5.979 -14.599 -11.532 1.00 0.00 O ATOM 24 CB PRO A 4 3.913 -12.953 -13.687 1.00 0.00 C ATOM 25 CG PRO A 4 3.326 -11.628 -13.314 1.00 0.00 C ATOM 26 CD PRO A 4 2.364 -11.874 -12.179 1.00 0.00 C ATOM 0 HA PRO A 4 3.746 -14.833 -12.573 1.00 0.00 H new ATOM 0 HB2 PRO A 4 4.926 -12.841 -14.073 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.327 -13.439 -14.467 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.108 -10.931 -13.012 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.812 -11.181 -14.165 1.00 0.00 H new ATOM 0 HD2 PRO A 4 2.397 -11.068 -11.446 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.336 -11.939 -12.534 1.00 0.00 H new ATOM 34 N ALA A 5 5.551 -12.472 -11.177 1.00 0.00 N ATOM 35 CA ALA A 5 6.840 -12.286 -10.451 1.00 0.00 C ATOM 36 C ALA A 5 6.574 -11.967 -8.976 1.00 0.00 C ATOM 37 O ALA A 5 5.854 -11.045 -8.650 1.00 0.00 O ATOM 38 CB ALA A 5 7.516 -11.101 -11.142 1.00 0.00 C ATOM 0 H ALA A 5 4.971 -11.637 -11.253 1.00 0.00 H new ATOM 0 HA ALA A 5 7.462 -13.181 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.475 -10.900 -10.664 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.677 -11.337 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.878 -10.221 -11.061 1.00 0.00 H new ATOM 44 N LYS A 6 7.151 -12.724 -8.083 1.00 0.00 N ATOM 45 CA LYS A 6 6.930 -12.464 -6.631 1.00 0.00 C ATOM 46 C LYS A 6 8.252 -12.088 -5.956 1.00 0.00 C ATOM 47 O LYS A 6 8.746 -12.796 -5.101 1.00 0.00 O ATOM 48 CB LYS A 6 6.399 -13.783 -6.071 1.00 0.00 C ATOM 49 CG LYS A 6 7.466 -14.869 -6.233 1.00 0.00 C ATOM 50 CD LYS A 6 6.852 -16.090 -6.921 1.00 0.00 C ATOM 51 CE LYS A 6 7.789 -16.574 -8.031 1.00 0.00 C ATOM 52 NZ LYS A 6 6.930 -17.397 -8.928 1.00 0.00 N ATOM 0 H LYS A 6 7.765 -13.510 -8.295 1.00 0.00 H new ATOM 0 HA LYS A 6 6.239 -11.639 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.140 -13.666 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.487 -14.072 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.301 -14.488 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.865 -15.150 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.689 -16.886 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.878 -15.834 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.231 -15.735 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.612 -17.161 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.502 -17.765 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.528 -18.192 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.159 -16.810 -9.305 1.00 0.00 H new ATOM 66 N LYS A 7 8.830 -10.983 -6.338 1.00 0.00 N ATOM 67 CA LYS A 7 10.122 -10.567 -5.721 1.00 0.00 C ATOM 68 C LYS A 7 9.920 -9.348 -4.818 1.00 0.00 C ATOM 69 O LYS A 7 9.063 -8.519 -5.058 1.00 0.00 O ATOM 70 CB LYS A 7 11.023 -10.203 -6.901 1.00 0.00 C ATOM 71 CG LYS A 7 11.691 -11.466 -7.447 1.00 0.00 C ATOM 72 CD LYS A 7 12.255 -11.181 -8.840 1.00 0.00 C ATOM 73 CE LYS A 7 11.313 -11.755 -9.901 1.00 0.00 C ATOM 74 NZ LYS A 7 11.999 -12.978 -10.402 1.00 0.00 N ATOM 0 H LYS A 7 8.465 -10.350 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 7 10.549 -11.355 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.437 -9.722 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.781 -9.486 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.490 -11.787 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.969 -12.281 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.370 -10.107 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.246 -11.624 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.338 -11.995 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.142 -11.040 -10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.414 -13.429 -11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.921 -12.718 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.142 -13.643 -9.615 1.00 0.00 H new ATOM 88 N THR A 8 10.710 -9.228 -3.786 1.00 0.00 N ATOM 89 CA THR A 8 10.575 -8.057 -2.874 1.00 0.00 C ATOM 90 C THR A 8 11.532 -6.948 -3.320 1.00 0.00 C ATOM 91 O THR A 8 12.605 -7.213 -3.823 1.00 0.00 O ATOM 92 CB THR A 8 10.961 -8.585 -1.491 1.00 0.00 C ATOM 93 OG1 THR A 8 9.949 -9.467 -1.025 1.00 0.00 O ATOM 94 CG2 THR A 8 11.112 -7.416 -0.518 1.00 0.00 C ATOM 0 H THR A 8 11.444 -9.891 -3.535 1.00 0.00 H new ATOM 0 HA THR A 8 9.570 -7.635 -2.875 1.00 0.00 H new ATOM 0 HB THR A 8 11.908 -9.120 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.195 -9.808 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.387 -7.795 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.889 -6.742 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.167 -6.876 -0.448 1.00 0.00 H new ATOM 102 N TYR A 9 11.155 -5.710 -3.151 1.00 0.00 N ATOM 103 CA TYR A 9 12.058 -4.603 -3.586 1.00 0.00 C ATOM 104 C TYR A 9 12.542 -3.790 -2.384 1.00 0.00 C ATOM 105 O TYR A 9 11.970 -3.840 -1.312 1.00 0.00 O ATOM 106 CB TYR A 9 11.225 -3.695 -4.501 1.00 0.00 C ATOM 107 CG TYR A 9 10.102 -4.458 -5.168 1.00 0.00 C ATOM 108 CD1 TYR A 9 8.915 -4.712 -4.469 1.00 0.00 C ATOM 109 CD2 TYR A 9 10.235 -4.881 -6.495 1.00 0.00 C ATOM 110 CE1 TYR A 9 7.865 -5.388 -5.096 1.00 0.00 C ATOM 111 CE2 TYR A 9 9.186 -5.564 -7.121 1.00 0.00 C ATOM 112 CZ TYR A 9 8.000 -5.817 -6.422 1.00 0.00 C ATOM 113 OH TYR A 9 6.961 -6.483 -7.041 1.00 0.00 O ATOM 0 H TYR A 9 10.271 -5.417 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 9 12.935 -5.006 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.811 -2.872 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 9 11.869 -3.255 -5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.811 -4.385 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.148 -4.680 -7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.949 -5.580 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.292 -5.896 -8.143 1.00 0.00 H new ATOM 0 HH TYR A 9 7.218 -6.709 -7.959 1.00 0.00 H new ATOM 123 N THR A 10 13.579 -3.021 -2.570 1.00 0.00 N ATOM 124 CA THR A 10 14.097 -2.175 -1.461 1.00 0.00 C ATOM 125 C THR A 10 13.805 -0.707 -1.783 1.00 0.00 C ATOM 126 O THR A 10 14.069 -0.240 -2.874 1.00 0.00 O ATOM 127 CB THR A 10 15.604 -2.437 -1.426 1.00 0.00 C ATOM 128 OG1 THR A 10 16.063 -2.724 -2.740 1.00 0.00 O ATOM 129 CG2 THR A 10 15.892 -3.629 -0.511 1.00 0.00 C ATOM 0 H THR A 10 14.092 -2.943 -3.448 1.00 0.00 H new ATOM 0 HA THR A 10 13.637 -2.401 -0.499 1.00 0.00 H new ATOM 0 HB THR A 10 16.120 -1.555 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 10 17.029 -2.890 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.965 -3.817 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.538 -3.409 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.378 -4.512 -0.891 1.00 0.00 H new ATOM 137 N TRP A 11 13.241 0.020 -0.859 1.00 0.00 N ATOM 138 CA TRP A 11 12.913 1.446 -1.141 1.00 0.00 C ATOM 139 C TRP A 11 13.917 2.390 -0.473 1.00 0.00 C ATOM 140 O TRP A 11 14.381 2.149 0.623 1.00 0.00 O ATOM 141 CB TRP A 11 11.513 1.642 -0.560 1.00 0.00 C ATOM 142 CG TRP A 11 10.523 0.954 -1.441 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.932 1.510 -2.522 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.002 -0.405 -1.344 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.083 0.582 -3.094 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.091 -0.613 -2.405 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.229 -1.465 -0.448 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.430 -1.829 -2.572 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.563 -2.691 -0.614 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.666 -2.871 -1.674 1.00 0.00 C ATOM 0 H TRP A 11 12.994 -0.309 0.074 1.00 0.00 H new ATOM 0 HA TRP A 11 12.956 1.671 -2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.464 1.236 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.280 2.704 -0.489 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.097 2.516 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.519 0.759 -3.925 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.919 -1.336 0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.739 -1.964 -3.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.744 -3.499 0.080 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.157 -3.816 -1.797 1.00 0.00 H new ATOM 161 N ASN A 12 14.247 3.466 -1.134 1.00 0.00 N ATOM 162 CA ASN A 12 15.215 4.439 -0.552 1.00 0.00 C ATOM 163 C ASN A 12 14.565 5.822 -0.457 1.00 0.00 C ATOM 164 O ASN A 12 14.862 6.600 0.429 1.00 0.00 O ATOM 165 CB ASN A 12 16.391 4.466 -1.531 1.00 0.00 C ATOM 166 CG ASN A 12 16.772 3.035 -1.913 1.00 0.00 C ATOM 167 OD1 ASN A 12 16.636 2.124 -1.120 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.250 2.795 -3.105 1.00 0.00 N ATOM 0 H ASN A 12 13.887 3.714 -2.055 1.00 0.00 H new ATOM 0 HA ASN A 12 15.532 4.161 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.122 5.032 -2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.244 4.972 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.508 1.844 -3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.365 3.558 -3.772 1.00 0.00 H new ATOM 175 N THR A 13 13.677 6.131 -1.362 1.00 0.00 N ATOM 176 CA THR A 13 13.003 7.461 -1.327 1.00 0.00 C ATOM 177 C THR A 13 11.538 7.299 -0.906 1.00 0.00 C ATOM 178 O THR A 13 10.968 6.232 -1.006 1.00 0.00 O ATOM 179 CB THR A 13 13.098 7.992 -2.758 1.00 0.00 C ATOM 180 OG1 THR A 13 12.463 9.263 -2.832 1.00 0.00 O ATOM 181 CG2 THR A 13 12.414 7.009 -3.711 1.00 0.00 C ATOM 0 H THR A 13 13.388 5.519 -2.125 1.00 0.00 H new ATOM 0 HA THR A 13 13.465 8.141 -0.611 1.00 0.00 H new ATOM 0 HB THR A 13 14.145 8.097 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.524 9.606 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.481 7.386 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.908 6.039 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.366 6.901 -3.432 1.00 0.00 H new ATOM 189 N LYS A 14 10.931 8.351 -0.429 1.00 0.00 N ATOM 190 CA LYS A 14 9.507 8.261 0.011 1.00 0.00 C ATOM 191 C LYS A 14 8.570 8.052 -1.185 1.00 0.00 C ATOM 192 O LYS A 14 7.533 7.430 -1.065 1.00 0.00 O ATOM 193 CB LYS A 14 9.221 9.604 0.684 1.00 0.00 C ATOM 194 CG LYS A 14 7.907 9.516 1.462 1.00 0.00 C ATOM 195 CD LYS A 14 8.204 9.238 2.937 1.00 0.00 C ATOM 196 CE LYS A 14 7.797 7.802 3.278 1.00 0.00 C ATOM 197 NZ LYS A 14 9.023 7.184 3.857 1.00 0.00 N ATOM 0 H LYS A 14 11.359 9.271 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 14 9.343 7.416 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.037 9.867 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.160 10.393 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.350 10.447 1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.281 8.724 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.265 9.384 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.660 9.941 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.971 7.784 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.465 7.264 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.825 6.197 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.790 7.210 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.312 7.713 4.704 1.00 0.00 H new ATOM 211 N GLU A 15 8.910 8.576 -2.330 1.00 0.00 N ATOM 212 CA GLU A 15 8.015 8.411 -3.515 1.00 0.00 C ATOM 213 C GLU A 15 7.954 6.947 -3.953 1.00 0.00 C ATOM 214 O GLU A 15 6.891 6.399 -4.168 1.00 0.00 O ATOM 215 CB GLU A 15 8.644 9.267 -4.617 1.00 0.00 C ATOM 216 CG GLU A 15 8.033 8.886 -5.970 1.00 0.00 C ATOM 217 CD GLU A 15 8.430 9.924 -7.020 1.00 0.00 C ATOM 218 OE1 GLU A 15 9.485 9.766 -7.614 1.00 0.00 O ATOM 219 OE2 GLU A 15 7.672 10.861 -7.215 1.00 0.00 O ATOM 0 H GLU A 15 9.763 9.109 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 15 6.992 8.714 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.473 10.324 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.723 9.117 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.379 7.897 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.947 8.833 -5.889 1.00 0.00 H new ATOM 226 N GLU A 16 9.079 6.315 -4.095 1.00 0.00 N ATOM 227 CA GLU A 16 9.080 4.889 -4.531 1.00 0.00 C ATOM 228 C GLU A 16 8.400 4.010 -3.483 1.00 0.00 C ATOM 229 O GLU A 16 7.709 3.063 -3.808 1.00 0.00 O ATOM 230 CB GLU A 16 10.555 4.516 -4.675 1.00 0.00 C ATOM 231 CG GLU A 16 11.146 5.234 -5.889 1.00 0.00 C ATOM 232 CD GLU A 16 10.423 4.773 -7.157 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.836 3.773 -7.721 1.00 0.00 O ATOM 234 OE2 GLU A 16 9.468 5.428 -7.541 1.00 0.00 O ATOM 0 H GLU A 16 10.000 6.720 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 16 8.533 4.745 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.101 4.794 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.659 3.437 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.045 6.313 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.212 5.021 -5.968 1.00 0.00 H new ATOM 241 N ALA A 17 8.583 4.314 -2.232 1.00 0.00 N ATOM 242 CA ALA A 17 7.938 3.492 -1.170 1.00 0.00 C ATOM 243 C ALA A 17 6.426 3.727 -1.186 1.00 0.00 C ATOM 244 O ALA A 17 5.636 2.798 -1.173 1.00 0.00 O ATOM 245 CB ALA A 17 8.553 3.988 0.139 1.00 0.00 C ATOM 0 H ALA A 17 9.149 5.093 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 17 8.097 2.422 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.129 3.431 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.632 3.838 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.337 5.049 0.264 1.00 0.00 H new ATOM 251 N LYS A 18 6.016 4.963 -1.235 1.00 0.00 N ATOM 252 CA LYS A 18 4.560 5.259 -1.273 1.00 0.00 C ATOM 253 C LYS A 18 3.970 4.721 -2.574 1.00 0.00 C ATOM 254 O LYS A 18 2.856 4.236 -2.612 1.00 0.00 O ATOM 255 CB LYS A 18 4.461 6.783 -1.230 1.00 0.00 C ATOM 256 CG LYS A 18 3.164 7.191 -0.530 1.00 0.00 C ATOM 257 CD LYS A 18 3.304 8.609 0.023 1.00 0.00 C ATOM 258 CE LYS A 18 3.842 8.550 1.455 1.00 0.00 C ATOM 259 NZ LYS A 18 2.705 8.042 2.270 1.00 0.00 N ATOM 0 H LYS A 18 6.627 5.780 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 18 4.015 4.799 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.318 7.199 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.484 7.188 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.330 7.144 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.941 6.495 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.978 9.191 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.338 9.114 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.706 7.889 1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.165 9.533 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.760 8.440 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.807 8.326 1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.752 7.004 2.323 1.00 0.00 H new ATOM 273 N GLN A 19 4.716 4.796 -3.643 1.00 0.00 N ATOM 274 CA GLN A 19 4.206 4.281 -4.943 1.00 0.00 C ATOM 275 C GLN A 19 4.042 2.762 -4.868 1.00 0.00 C ATOM 276 O GLN A 19 3.072 2.211 -5.350 1.00 0.00 O ATOM 277 CB GLN A 19 5.269 4.662 -5.972 1.00 0.00 C ATOM 278 CG GLN A 19 4.624 4.782 -7.354 1.00 0.00 C ATOM 279 CD GLN A 19 5.655 4.424 -8.424 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.853 5.163 -9.368 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.325 3.311 -8.312 1.00 0.00 N ATOM 0 H GLN A 19 5.656 5.192 -3.671 1.00 0.00 H new ATOM 0 HA GLN A 19 3.233 4.697 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.737 5.607 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.057 3.910 -5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.763 4.118 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.258 5.797 -7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.157 2.692 -7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.017 3.059 -9.018 1.00 0.00 H new ATOM 290 N ALA A 20 4.973 2.078 -4.256 1.00 0.00 N ATOM 291 CA ALA A 20 4.840 0.598 -4.146 1.00 0.00 C ATOM 292 C ALA A 20 3.596 0.270 -3.327 1.00 0.00 C ATOM 293 O ALA A 20 2.881 -0.669 -3.610 1.00 0.00 O ATOM 294 CB ALA A 20 6.102 0.116 -3.428 1.00 0.00 C ATOM 0 H ALA A 20 5.811 2.476 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 20 4.737 0.115 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.065 -0.968 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.980 0.391 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.161 0.581 -2.444 1.00 0.00 H new ATOM 300 N PHE A 21 3.328 1.050 -2.317 1.00 0.00 N ATOM 301 CA PHE A 21 2.121 0.792 -1.483 1.00 0.00 C ATOM 302 C PHE A 21 0.851 1.053 -2.303 1.00 0.00 C ATOM 303 O PHE A 21 -0.102 0.301 -2.244 1.00 0.00 O ATOM 304 CB PHE A 21 2.221 1.769 -0.314 1.00 0.00 C ATOM 305 CG PHE A 21 1.353 1.279 0.816 1.00 0.00 C ATOM 306 CD1 PHE A 21 -0.028 1.503 0.782 1.00 0.00 C ATOM 307 CD2 PHE A 21 1.925 0.597 1.897 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.838 1.047 1.828 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.115 0.140 2.943 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.266 0.367 2.908 1.00 0.00 C ATOM 0 H PHE A 21 3.890 1.852 -2.034 1.00 0.00 H new ATOM 0 HA PHE A 21 2.071 -0.241 -1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.256 1.854 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.904 2.764 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.469 2.028 -0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.991 0.424 1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.904 1.220 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.555 -0.387 3.776 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.891 0.016 3.716 1.00 0.00 H new ATOM 320 N LYS A 22 0.829 2.104 -3.080 1.00 0.00 N ATOM 321 CA LYS A 22 -0.381 2.377 -3.904 1.00 0.00 C ATOM 322 C LYS A 22 -0.484 1.319 -5.001 1.00 0.00 C ATOM 323 O LYS A 22 -1.516 0.707 -5.197 1.00 0.00 O ATOM 324 CB LYS A 22 -0.161 3.762 -4.511 1.00 0.00 C ATOM 325 CG LYS A 22 -0.649 4.831 -3.532 1.00 0.00 C ATOM 326 CD LYS A 22 -0.477 6.215 -4.161 1.00 0.00 C ATOM 327 CE LYS A 22 0.824 6.846 -3.658 1.00 0.00 C ATOM 328 NZ LYS A 22 0.396 8.048 -2.890 1.00 0.00 N ATOM 0 H LYS A 22 1.589 2.778 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.302 2.345 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.896 3.911 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.698 3.846 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.696 4.660 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.086 4.771 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.457 6.132 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.325 6.851 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.381 6.153 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.477 7.119 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.234 8.535 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.126 8.693 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.219 7.757 -2.103 1.00 0.00 H new ATOM 342 N GLU A 23 0.593 1.075 -5.699 1.00 0.00 N ATOM 343 CA GLU A 23 0.567 0.031 -6.758 1.00 0.00 C ATOM 344 C GLU A 23 0.237 -1.308 -6.102 1.00 0.00 C ATOM 345 O GLU A 23 -0.377 -2.175 -6.693 1.00 0.00 O ATOM 346 CB GLU A 23 1.980 0.019 -7.344 1.00 0.00 C ATOM 347 CG GLU A 23 1.937 -0.536 -8.768 1.00 0.00 C ATOM 348 CD GLU A 23 3.343 -0.967 -9.188 1.00 0.00 C ATOM 349 OE1 GLU A 23 4.054 -1.497 -8.351 1.00 0.00 O ATOM 350 OE2 GLU A 23 3.686 -0.759 -10.342 1.00 0.00 O ATOM 0 H GLU A 23 1.486 1.553 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.175 0.218 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.392 1.028 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.637 -0.591 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.254 -1.384 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.557 0.221 -9.454 1.00 0.00 H new ATOM 357 N LEU A 24 0.637 -1.466 -4.870 1.00 0.00 N ATOM 358 CA LEU A 24 0.353 -2.728 -4.138 1.00 0.00 C ATOM 359 C LEU A 24 -1.159 -2.907 -3.988 1.00 0.00 C ATOM 360 O LEU A 24 -1.710 -3.933 -4.332 1.00 0.00 O ATOM 361 CB LEU A 24 1.024 -2.526 -2.779 1.00 0.00 C ATOM 362 CG LEU A 24 0.685 -3.675 -1.840 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.026 -5.001 -2.515 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.512 -3.524 -0.559 1.00 0.00 C ATOM 0 H LEU A 24 1.153 -0.767 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 24 0.722 -3.618 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.104 -2.460 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.696 -1.583 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.378 -3.659 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.783 -5.824 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.448 -5.101 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.090 -5.026 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.279 -4.341 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.573 -3.549 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.273 -2.574 -0.082 1.00 0.00 H new ATOM 376 N LEU A 25 -1.838 -1.905 -3.498 1.00 0.00 N ATOM 377 CA LEU A 25 -3.317 -2.014 -3.351 1.00 0.00 C ATOM 378 C LEU A 25 -3.959 -2.221 -4.725 1.00 0.00 C ATOM 379 O LEU A 25 -4.936 -2.931 -4.867 1.00 0.00 O ATOM 380 CB LEU A 25 -3.754 -0.683 -2.748 1.00 0.00 C ATOM 381 CG LEU A 25 -3.759 -0.787 -1.226 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.894 0.324 -0.631 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.193 -0.636 -0.725 1.00 0.00 C ATOM 0 H LEU A 25 -1.434 -1.019 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.615 -2.856 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.078 0.111 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.748 -0.418 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.358 -1.754 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.900 0.247 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.872 0.225 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.293 1.294 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.208 -0.709 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.584 0.335 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.812 -1.426 -1.150 1.00 0.00 H new ATOM 395 N LYS A 26 -3.407 -1.610 -5.739 1.00 0.00 N ATOM 396 CA LYS A 26 -3.971 -1.776 -7.108 1.00 0.00 C ATOM 397 C LYS A 26 -3.836 -3.236 -7.542 1.00 0.00 C ATOM 398 O LYS A 26 -4.757 -3.826 -8.071 1.00 0.00 O ATOM 399 CB LYS A 26 -3.123 -0.869 -8.000 1.00 0.00 C ATOM 400 CG LYS A 26 -3.769 -0.760 -9.383 1.00 0.00 C ATOM 401 CD LYS A 26 -3.272 -1.903 -10.270 1.00 0.00 C ATOM 402 CE LYS A 26 -3.768 -1.692 -11.701 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.496 -2.946 -12.044 1.00 0.00 N ATOM 0 H LYS A 26 -2.590 -1.003 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.028 -1.517 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.034 0.120 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.114 -1.271 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.855 -0.801 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.523 0.200 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.183 -1.943 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.632 -2.858 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.424 -0.824 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.938 -1.518 -12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.867 -2.878 -13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.845 -3.754 -11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.285 -3.082 -11.380 1.00 0.00 H new ATOM 417 N GLU A 27 -2.695 -3.826 -7.307 1.00 0.00 N ATOM 418 CA GLU A 27 -2.500 -5.252 -7.689 1.00 0.00 C ATOM 419 C GLU A 27 -3.341 -6.144 -6.777 1.00 0.00 C ATOM 420 O GLU A 27 -3.708 -7.247 -7.131 1.00 0.00 O ATOM 421 CB GLU A 27 -1.009 -5.521 -7.478 1.00 0.00 C ATOM 422 CG GLU A 27 -0.543 -6.601 -8.455 1.00 0.00 C ATOM 423 CD GLU A 27 0.432 -5.990 -9.463 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.210 -5.139 -9.064 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.385 -6.386 -10.616 1.00 0.00 O ATOM 0 H GLU A 27 -1.890 -3.381 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.804 -5.457 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.438 -4.605 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.828 -5.841 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.060 -7.414 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.399 -7.030 -8.975 1.00 0.00 H new ATOM 432 N LYS A 28 -3.657 -5.665 -5.605 1.00 0.00 N ATOM 433 CA LYS A 28 -4.484 -6.467 -4.663 1.00 0.00 C ATOM 434 C LYS A 28 -5.967 -6.256 -4.973 1.00 0.00 C ATOM 435 O LYS A 28 -6.835 -6.742 -4.274 1.00 0.00 O ATOM 436 CB LYS A 28 -4.144 -5.923 -3.275 1.00 0.00 C ATOM 437 CG LYS A 28 -2.976 -6.713 -2.681 1.00 0.00 C ATOM 438 CD LYS A 28 -1.672 -6.313 -3.375 1.00 0.00 C ATOM 439 CE LYS A 28 -0.686 -7.482 -3.326 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.192 -8.455 -4.334 1.00 0.00 N ATOM 0 H LYS A 28 -3.376 -4.748 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.286 -7.536 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.884 -4.867 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.014 -5.996 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.902 -6.521 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.150 -7.782 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.870 -6.034 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.241 -5.439 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.326 -7.155 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.650 -7.927 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.299 -9.390 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.114 -8.135 -4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.517 -8.521 -5.122 1.00 0.00 H new ATOM 454 N ARG A 29 -6.263 -5.529 -6.015 1.00 0.00 N ATOM 455 CA ARG A 29 -7.685 -5.279 -6.370 1.00 0.00 C ATOM 456 C ARG A 29 -8.444 -4.746 -5.153 1.00 0.00 C ATOM 457 O ARG A 29 -9.631 -4.965 -5.008 1.00 0.00 O ATOM 458 CB ARG A 29 -8.235 -6.643 -6.793 1.00 0.00 C ATOM 459 CG ARG A 29 -7.836 -6.932 -8.243 1.00 0.00 C ATOM 460 CD ARG A 29 -7.830 -8.445 -8.479 1.00 0.00 C ATOM 461 NE ARG A 29 -6.489 -8.739 -9.055 1.00 0.00 N ATOM 462 CZ ARG A 29 -5.667 -9.532 -8.421 1.00 0.00 C ATOM 463 NH1 ARG A 29 -5.295 -9.249 -7.204 1.00 0.00 N ATOM 464 NH2 ARG A 29 -5.217 -10.607 -9.007 1.00 0.00 N ATOM 0 H ARG A 29 -5.579 -5.097 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.790 -4.537 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.847 -7.422 -6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.321 -6.655 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.534 -6.449 -8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.849 -6.517 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.988 -8.990 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.626 -8.741 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.212 -8.322 -9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.646 -8.408 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.653 -9.869 -6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.507 -10.828 -9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.575 -11.227 -8.513 1.00 0.00 H new ATOM 478 N VAL A 30 -7.772 -4.047 -4.275 1.00 0.00 N ATOM 479 CA VAL A 30 -8.472 -3.507 -3.074 1.00 0.00 C ATOM 480 C VAL A 30 -9.571 -2.533 -3.504 1.00 0.00 C ATOM 481 O VAL A 30 -9.314 -1.588 -4.223 1.00 0.00 O ATOM 482 CB VAL A 30 -7.399 -2.770 -2.270 1.00 0.00 C ATOM 483 CG1 VAL A 30 -7.971 -2.369 -0.909 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.192 -3.686 -2.058 1.00 0.00 C ATOM 0 H VAL A 30 -6.778 -3.829 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.944 -4.296 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.088 -1.880 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.208 -1.844 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.831 -1.715 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.282 -3.262 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.430 -3.157 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.503 -4.577 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.782 -3.977 -3.025 1.00 0.00 H new ATOM 494 N PRO A 31 -10.764 -2.794 -3.046 1.00 0.00 N ATOM 495 CA PRO A 31 -11.914 -1.922 -3.389 1.00 0.00 C ATOM 496 C PRO A 31 -11.801 -0.586 -2.651 1.00 0.00 C ATOM 497 O PRO A 31 -11.015 -0.436 -1.738 1.00 0.00 O ATOM 498 CB PRO A 31 -13.122 -2.712 -2.898 1.00 0.00 C ATOM 499 CG PRO A 31 -12.588 -3.601 -1.821 1.00 0.00 C ATOM 500 CD PRO A 31 -11.157 -3.910 -2.178 1.00 0.00 C ATOM 0 HA PRO A 31 -11.972 -1.683 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.898 -2.050 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.569 -3.293 -3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.646 -3.109 -0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.175 -4.517 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.527 -3.968 -1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.071 -4.867 -2.693 1.00 0.00 H new ATOM 508 N SER A 32 -12.582 0.383 -3.038 1.00 0.00 N ATOM 509 CA SER A 32 -12.517 1.706 -2.355 1.00 0.00 C ATOM 510 C SER A 32 -13.211 1.630 -0.992 1.00 0.00 C ATOM 511 O SER A 32 -13.150 2.551 -0.202 1.00 0.00 O ATOM 512 CB SER A 32 -13.259 2.668 -3.280 1.00 0.00 C ATOM 513 OG SER A 32 -12.974 2.333 -4.631 1.00 0.00 O ATOM 0 H SER A 32 -13.261 0.317 -3.796 1.00 0.00 H new ATOM 0 HA SER A 32 -11.491 2.027 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.332 2.611 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.955 3.695 -3.076 1.00 0.00 H new ATOM 0 HG SER A 32 -13.777 1.962 -5.053 1.00 0.00 H new ATOM 519 N ASN A 33 -13.873 0.540 -0.711 1.00 0.00 N ATOM 520 CA ASN A 33 -14.572 0.411 0.599 1.00 0.00 C ATOM 521 C ASN A 33 -13.882 -0.637 1.478 1.00 0.00 C ATOM 522 O ASN A 33 -14.410 -1.054 2.489 1.00 0.00 O ATOM 523 CB ASN A 33 -15.994 -0.034 0.246 1.00 0.00 C ATOM 524 CG ASN A 33 -15.981 -1.506 -0.171 1.00 0.00 C ATOM 525 OD1 ASN A 33 -14.948 -2.044 -0.514 1.00 0.00 O ATOM 526 ND2 ASN A 33 -17.096 -2.186 -0.156 1.00 0.00 N ATOM 0 H ASN A 33 -13.960 -0.265 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.562 1.344 1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.653 0.106 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.388 0.581 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.098 -3.168 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.964 -1.735 0.132 1.00 0.00 H new ATOM 533 N ALA A 34 -12.705 -1.065 1.106 1.00 0.00 N ATOM 534 CA ALA A 34 -11.993 -2.083 1.932 1.00 0.00 C ATOM 535 C ALA A 34 -11.576 -1.476 3.271 1.00 0.00 C ATOM 536 O ALA A 34 -11.290 -0.300 3.369 1.00 0.00 O ATOM 537 CB ALA A 34 -10.751 -2.471 1.125 1.00 0.00 C ATOM 0 H ALA A 34 -12.208 -0.756 0.271 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.626 -2.945 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.179 -3.218 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.056 -2.883 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.133 -1.588 0.962 1.00 0.00 H new ATOM 543 N SER A 35 -11.523 -2.272 4.301 1.00 0.00 N ATOM 544 CA SER A 35 -11.100 -1.741 5.625 1.00 0.00 C ATOM 545 C SER A 35 -9.583 -1.848 5.735 1.00 0.00 C ATOM 546 O SER A 35 -8.968 -2.673 5.088 1.00 0.00 O ATOM 547 CB SER A 35 -11.772 -2.646 6.652 1.00 0.00 C ATOM 548 OG SER A 35 -11.129 -3.914 6.650 1.00 0.00 O ATOM 0 H SER A 35 -11.754 -3.265 4.283 1.00 0.00 H new ATOM 0 HA SER A 35 -11.376 -0.697 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.714 -2.197 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.830 -2.761 6.416 1.00 0.00 H new ATOM 0 HG SER A 35 -11.557 -4.499 7.310 1.00 0.00 H new ATOM 554 N TRP A 36 -8.959 -1.033 6.537 1.00 0.00 N ATOM 555 CA TRP A 36 -7.481 -1.133 6.646 1.00 0.00 C ATOM 556 C TRP A 36 -7.084 -2.585 6.908 1.00 0.00 C ATOM 557 O TRP A 36 -6.054 -3.038 6.468 1.00 0.00 O ATOM 558 CB TRP A 36 -7.077 -0.249 7.825 1.00 0.00 C ATOM 559 CG TRP A 36 -5.624 -0.468 8.106 1.00 0.00 C ATOM 560 CD1 TRP A 36 -5.087 -0.666 9.332 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.516 -0.522 7.160 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.720 -0.839 9.199 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.320 -0.759 7.878 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.433 -0.391 5.761 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -2.087 -0.863 7.231 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.194 -0.494 5.108 1.00 0.00 C ATOM 567 CH2 TRP A 36 -2.024 -0.731 5.844 1.00 0.00 C ATOM 0 H TRP A 36 -9.400 -0.315 7.112 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.985 -0.812 5.730 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.264 0.800 7.594 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.674 -0.493 8.704 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.635 -0.686 10.262 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.085 -1.005 9.980 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.329 -0.210 5.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.188 -1.045 7.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.142 -0.390 4.034 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.074 -0.811 5.337 1.00 0.00 H new ATOM 578 N GLU A 37 -7.892 -3.319 7.623 1.00 0.00 N ATOM 579 CA GLU A 37 -7.548 -4.742 7.909 1.00 0.00 C ATOM 580 C GLU A 37 -7.549 -5.570 6.620 1.00 0.00 C ATOM 581 O GLU A 37 -6.619 -6.304 6.342 1.00 0.00 O ATOM 582 CB GLU A 37 -8.645 -5.231 8.855 1.00 0.00 C ATOM 583 CG GLU A 37 -8.134 -5.193 10.295 1.00 0.00 C ATOM 584 CD GLU A 37 -9.320 -5.269 11.259 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.439 -5.366 10.782 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.089 -5.229 12.456 1.00 0.00 O ATOM 0 H GLU A 37 -8.774 -2.996 8.021 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.553 -4.840 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.531 -4.604 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.942 -6.246 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.453 -6.025 10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.569 -4.277 10.468 1.00 0.00 H new ATOM 593 N GLN A 38 -8.584 -5.462 5.831 1.00 0.00 N ATOM 594 CA GLN A 38 -8.640 -6.251 4.565 1.00 0.00 C ATOM 595 C GLN A 38 -7.604 -5.728 3.570 1.00 0.00 C ATOM 596 O GLN A 38 -6.876 -6.488 2.957 1.00 0.00 O ATOM 597 CB GLN A 38 -10.056 -6.033 4.030 1.00 0.00 C ATOM 598 CG GLN A 38 -11.037 -6.913 4.807 1.00 0.00 C ATOM 599 CD GLN A 38 -11.681 -7.923 3.855 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.756 -9.098 4.156 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.153 -7.511 2.710 1.00 0.00 N ATOM 0 H GLN A 38 -9.391 -4.864 6.007 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.420 -7.307 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.336 -4.984 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.096 -6.275 2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.516 -7.435 5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.805 -6.296 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.090 -6.525 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.585 -8.175 2.068 1.00 0.00 H new ATOM 610 N ALA A 39 -7.526 -4.439 3.407 1.00 0.00 N ATOM 611 CA ALA A 39 -6.537 -3.869 2.453 1.00 0.00 C ATOM 612 C ALA A 39 -5.113 -4.100 2.962 1.00 0.00 C ATOM 613 O ALA A 39 -4.245 -4.520 2.226 1.00 0.00 O ATOM 614 CB ALA A 39 -6.851 -2.375 2.401 1.00 0.00 C ATOM 0 H ALA A 39 -8.105 -3.754 3.894 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.600 -4.334 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.162 -1.882 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.874 -2.230 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.742 -1.945 3.397 1.00 0.00 H new ATOM 620 N MET A 40 -4.866 -3.822 4.215 1.00 0.00 N ATOM 621 CA MET A 40 -3.493 -4.014 4.768 1.00 0.00 C ATOM 622 C MET A 40 -3.036 -5.462 4.617 1.00 0.00 C ATOM 623 O MET A 40 -1.943 -5.721 4.174 1.00 0.00 O ATOM 624 CB MET A 40 -3.592 -3.649 6.248 1.00 0.00 C ATOM 625 CG MET A 40 -2.267 -3.963 6.940 1.00 0.00 C ATOM 626 SD MET A 40 -2.398 -5.556 7.787 1.00 0.00 S ATOM 627 CE MET A 40 -2.964 -4.924 9.384 1.00 0.00 C ATOM 0 H MET A 40 -5.556 -3.470 4.879 1.00 0.00 H new ATOM 0 HA MET A 40 -2.767 -3.398 4.238 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.830 -2.591 6.357 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.401 -4.208 6.718 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.459 -3.992 6.208 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.021 -3.177 7.654 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.111 -5.756 10.073 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.217 -4.243 9.791 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.906 -4.392 9.251 1.00 0.00 H new ATOM 637 N LYS A 41 -3.848 -6.408 4.992 1.00 0.00 N ATOM 638 CA LYS A 41 -3.427 -7.836 4.872 1.00 0.00 C ATOM 639 C LYS A 41 -3.214 -8.208 3.397 1.00 0.00 C ATOM 640 O LYS A 41 -2.200 -8.783 3.022 1.00 0.00 O ATOM 641 CB LYS A 41 -4.600 -8.617 5.480 1.00 0.00 C ATOM 642 CG LYS A 41 -4.646 -10.045 4.927 1.00 0.00 C ATOM 643 CD LYS A 41 -5.971 -10.694 5.331 1.00 0.00 C ATOM 644 CE LYS A 41 -5.887 -11.163 6.786 1.00 0.00 C ATOM 645 NZ LYS A 41 -4.964 -12.331 6.762 1.00 0.00 N ATOM 0 H LYS A 41 -4.781 -6.259 5.375 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.484 -8.049 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.501 -8.645 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.537 -8.106 5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.549 -10.031 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.809 -10.626 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.788 -9.982 5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.189 -11.539 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.507 -10.373 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.869 -11.444 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.312 -13.062 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.921 -12.720 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.013 -12.028 7.055 1.00 0.00 H new ATOM 659 N MET A 42 -4.156 -7.873 2.556 1.00 0.00 N ATOM 660 CA MET A 42 -4.013 -8.202 1.111 1.00 0.00 C ATOM 661 C MET A 42 -2.750 -7.554 0.549 1.00 0.00 C ATOM 662 O MET A 42 -2.171 -8.024 -0.410 1.00 0.00 O ATOM 663 CB MET A 42 -5.258 -7.616 0.444 1.00 0.00 C ATOM 664 CG MET A 42 -6.494 -8.395 0.893 1.00 0.00 C ATOM 665 SD MET A 42 -7.200 -9.277 -0.521 1.00 0.00 S ATOM 666 CE MET A 42 -7.305 -7.858 -1.640 1.00 0.00 C ATOM 0 H MET A 42 -5.016 -7.387 2.808 1.00 0.00 H new ATOM 0 HA MET A 42 -3.926 -9.275 0.938 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.363 -6.564 0.708 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.159 -7.664 -0.640 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.226 -9.101 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.232 -7.714 1.316 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.153 -7.987 -2.312 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.438 -6.945 -1.059 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.387 -7.786 -2.224 1.00 0.00 H new ATOM 676 N ILE A 43 -2.320 -6.475 1.138 1.00 0.00 N ATOM 677 CA ILE A 43 -1.099 -5.793 0.632 1.00 0.00 C ATOM 678 C ILE A 43 0.124 -6.189 1.471 1.00 0.00 C ATOM 679 O ILE A 43 1.246 -6.119 1.015 1.00 0.00 O ATOM 680 CB ILE A 43 -1.399 -4.295 0.757 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.373 -3.880 2.228 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.778 -3.985 0.172 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.321 -2.353 2.317 1.00 0.00 C ATOM 0 H ILE A 43 -2.761 -6.036 1.947 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.865 -6.070 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.639 -3.740 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.258 -4.257 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.507 -4.315 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.982 -2.918 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.799 -4.267 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.538 -4.548 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.302 -2.050 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.423 -1.990 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.201 -1.930 1.833 1.00 0.00 H new ATOM 695 N ILE A 44 -0.078 -6.622 2.686 1.00 0.00 N ATOM 696 CA ILE A 44 1.087 -7.028 3.524 1.00 0.00 C ATOM 697 C ILE A 44 1.732 -8.262 2.905 1.00 0.00 C ATOM 698 O ILE A 44 2.939 -8.385 2.846 1.00 0.00 O ATOM 699 CB ILE A 44 0.517 -7.331 4.920 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.572 -7.003 5.976 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.139 -8.809 5.044 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.883 -6.480 7.235 1.00 0.00 C ATOM 0 H ILE A 44 -0.991 -6.712 3.132 1.00 0.00 H new ATOM 0 HA ILE A 44 1.853 -6.255 3.588 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.376 -6.723 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.157 -7.893 6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.267 -6.257 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.262 -9.000 6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.615 -9.056 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.024 -9.425 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.634 -6.245 7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.318 -5.580 6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.205 -7.241 7.622 1.00 0.00 H new ATOM 714 N ASN A 45 0.932 -9.175 2.421 1.00 0.00 N ATOM 715 CA ASN A 45 1.512 -10.392 1.785 1.00 0.00 C ATOM 716 C ASN A 45 2.499 -9.978 0.684 1.00 0.00 C ATOM 717 O ASN A 45 3.316 -10.759 0.238 1.00 0.00 O ATOM 718 CB ASN A 45 0.316 -11.136 1.192 1.00 0.00 C ATOM 719 CG ASN A 45 -0.734 -11.355 2.283 1.00 0.00 C ATOM 720 OD1 ASN A 45 -0.360 -11.397 3.532 1.00 0.00 O flip ATOM 721 ND2 ASN A 45 -1.907 -11.489 1.995 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.087 -9.132 2.438 1.00 0.00 H new ATOM 0 HA ASN A 45 2.062 -11.015 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.112 -10.563 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.636 -12.094 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.199 -11.456 1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.599 -11.634 2.730 1.00 0.00 H new ATOM 728 N ASP A 46 2.418 -8.749 0.244 1.00 0.00 N ATOM 729 CA ASP A 46 3.333 -8.255 -0.827 1.00 0.00 C ATOM 730 C ASP A 46 4.452 -7.396 -0.220 1.00 0.00 C ATOM 731 O ASP A 46 4.242 -6.707 0.760 1.00 0.00 O ATOM 732 CB ASP A 46 2.436 -7.411 -1.724 1.00 0.00 C ATOM 733 CG ASP A 46 3.135 -7.135 -3.054 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.102 -6.394 -3.048 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.693 -7.673 -4.056 1.00 0.00 O ATOM 0 H ASP A 46 1.749 -8.059 0.586 1.00 0.00 H new ATOM 0 HA ASP A 46 3.822 -9.064 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.493 -7.929 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.195 -6.470 -1.229 1.00 0.00 H new ATOM 740 N PRO A 47 5.609 -7.471 -0.825 1.00 0.00 N ATOM 741 CA PRO A 47 6.786 -6.699 -0.338 1.00 0.00 C ATOM 742 C PRO A 47 6.534 -5.190 -0.386 1.00 0.00 C ATOM 743 O PRO A 47 7.165 -4.431 0.322 1.00 0.00 O ATOM 744 CB PRO A 47 7.905 -7.110 -1.299 1.00 0.00 C ATOM 745 CG PRO A 47 7.191 -7.589 -2.517 1.00 0.00 C ATOM 746 CD PRO A 47 5.937 -8.254 -2.020 1.00 0.00 C ATOM 0 HA PRO A 47 7.023 -6.910 0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.561 -6.270 -1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.529 -7.894 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.956 -6.760 -3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.807 -8.288 -3.082 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.138 -8.217 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.103 -9.305 -1.783 1.00 0.00 H new ATOM 754 N ARG A 48 5.617 -4.740 -1.199 1.00 0.00 N ATOM 755 CA ARG A 48 5.354 -3.274 -1.250 1.00 0.00 C ATOM 756 C ARG A 48 4.946 -2.771 0.133 1.00 0.00 C ATOM 757 O ARG A 48 5.140 -1.619 0.461 1.00 0.00 O ATOM 758 CB ARG A 48 4.213 -3.081 -2.243 1.00 0.00 C ATOM 759 CG ARG A 48 4.778 -2.854 -3.642 1.00 0.00 C ATOM 760 CD ARG A 48 5.105 -4.200 -4.279 1.00 0.00 C ATOM 761 NE ARG A 48 3.818 -4.682 -4.850 1.00 0.00 N ATOM 762 CZ ARG A 48 3.782 -5.168 -6.061 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.480 -4.606 -7.010 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.049 -6.216 -6.323 1.00 0.00 N ATOM 0 H ARG A 48 5.047 -5.313 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 48 6.240 -2.717 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.565 -3.957 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.600 -2.230 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.056 -2.315 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.675 -2.237 -3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.865 -4.095 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.496 -4.901 -3.541 1.00 0.00 H new ATOM 0 HE ARG A 48 2.964 -4.633 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.053 -3.788 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.452 -4.985 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.504 -6.656 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.021 -6.595 -7.269 1.00 0.00 H new ATOM 778 N TYR A 49 4.388 -3.619 0.954 1.00 0.00 N ATOM 779 CA TYR A 49 3.992 -3.153 2.311 1.00 0.00 C ATOM 780 C TYR A 49 5.238 -2.663 3.046 1.00 0.00 C ATOM 781 O TYR A 49 5.216 -1.674 3.757 1.00 0.00 O ATOM 782 CB TYR A 49 3.386 -4.369 3.012 1.00 0.00 C ATOM 783 CG TYR A 49 2.513 -3.901 4.151 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.266 -3.332 3.883 1.00 0.00 C ATOM 785 CD2 TYR A 49 2.949 -4.036 5.475 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.450 -2.900 4.934 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.134 -3.606 6.527 1.00 0.00 C ATOM 788 CZ TYR A 49 0.884 -3.038 6.258 1.00 0.00 C ATOM 789 OH TYR A 49 0.082 -2.615 7.295 1.00 0.00 O ATOM 0 H TYR A 49 4.192 -4.599 0.748 1.00 0.00 H new ATOM 0 HA TYR A 49 3.277 -2.331 2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.799 -4.956 2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.177 -5.019 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.931 -3.225 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.915 -4.472 5.684 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.514 -2.460 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.470 -3.712 7.548 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.599 -1.999 6.952 1.00 0.00 H new ATOM 799 N SER A 50 6.337 -3.334 2.848 1.00 0.00 N ATOM 800 CA SER A 50 7.593 -2.901 3.510 1.00 0.00 C ATOM 801 C SER A 50 8.076 -1.607 2.857 1.00 0.00 C ATOM 802 O SER A 50 9.006 -0.975 3.316 1.00 0.00 O ATOM 803 CB SER A 50 8.590 -4.033 3.267 1.00 0.00 C ATOM 804 OG SER A 50 9.329 -4.275 4.457 1.00 0.00 O ATOM 0 H SER A 50 6.418 -4.162 2.257 1.00 0.00 H new ATOM 0 HA SER A 50 7.467 -2.709 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.063 -4.937 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.266 -3.769 2.454 1.00 0.00 H new ATOM 0 HG SER A 50 9.968 -5.002 4.303 1.00 0.00 H new ATOM 810 N ALA A 51 7.425 -1.195 1.799 1.00 0.00 N ATOM 811 CA ALA A 51 7.821 0.071 1.136 1.00 0.00 C ATOM 812 C ALA A 51 7.587 1.222 2.112 1.00 0.00 C ATOM 813 O ALA A 51 8.191 2.271 2.014 1.00 0.00 O ATOM 814 CB ALA A 51 6.898 0.192 -0.077 1.00 0.00 C ATOM 0 H ALA A 51 6.639 -1.684 1.371 1.00 0.00 H new ATOM 0 HA ALA A 51 8.869 0.092 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.130 1.107 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.044 -0.667 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.861 0.222 0.257 1.00 0.00 H new ATOM 820 N LEU A 52 6.716 1.021 3.071 1.00 0.00 N ATOM 821 CA LEU A 52 6.451 2.095 4.070 1.00 0.00 C ATOM 822 C LEU A 52 6.877 1.616 5.460 1.00 0.00 C ATOM 823 O LEU A 52 6.445 0.582 5.931 1.00 0.00 O ATOM 824 CB LEU A 52 4.940 2.339 4.013 1.00 0.00 C ATOM 825 CG LEU A 52 4.584 3.081 2.720 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.140 3.569 2.788 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.505 4.289 2.546 1.00 0.00 C ATOM 0 H LEU A 52 6.181 0.163 3.202 1.00 0.00 H new ATOM 0 HA LEU A 52 7.006 3.009 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.407 1.389 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.623 2.923 4.877 1.00 0.00 H new ATOM 0 HG LEU A 52 4.706 2.400 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.890 4.096 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.473 2.716 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.024 4.244 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.248 4.813 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.384 4.964 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.541 3.953 2.495 1.00 0.00 H new ATOM 839 N ALA A 53 7.736 2.349 6.109 1.00 0.00 N ATOM 840 CA ALA A 53 8.212 1.931 7.460 1.00 0.00 C ATOM 841 C ALA A 53 7.162 2.226 8.536 1.00 0.00 C ATOM 842 O ALA A 53 7.115 1.572 9.559 1.00 0.00 O ATOM 843 CB ALA A 53 9.473 2.758 7.705 1.00 0.00 C ATOM 0 H ALA A 53 8.132 3.223 5.763 1.00 0.00 H new ATOM 0 HA ALA A 53 8.401 0.859 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.887 2.509 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.209 2.537 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.224 3.819 7.676 1.00 0.00 H new ATOM 849 N LYS A 54 6.330 3.211 8.332 1.00 0.00 N ATOM 850 CA LYS A 54 5.308 3.536 9.370 1.00 0.00 C ATOM 851 C LYS A 54 3.896 3.161 8.901 1.00 0.00 C ATOM 852 O LYS A 54 3.550 3.290 7.740 1.00 0.00 O ATOM 853 CB LYS A 54 5.424 5.048 9.576 1.00 0.00 C ATOM 854 CG LYS A 54 6.817 5.384 10.114 1.00 0.00 C ATOM 855 CD LYS A 54 6.719 5.743 11.599 1.00 0.00 C ATOM 856 CE LYS A 54 7.275 7.151 11.822 1.00 0.00 C ATOM 857 NZ LYS A 54 6.930 7.482 13.233 1.00 0.00 N ATOM 0 H LYS A 54 6.312 3.800 7.500 1.00 0.00 H new ATOM 0 HA LYS A 54 5.478 2.977 10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.251 5.568 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.660 5.390 10.274 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.486 4.534 9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.243 6.217 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.681 5.694 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.277 5.022 12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.353 7.180 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.831 7.865 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.279 8.435 13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.897 7.453 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.372 6.789 13.870 1.00 0.00 H new ATOM 871 N LEU A 55 3.074 2.699 9.802 1.00 0.00 N ATOM 872 CA LEU A 55 1.686 2.323 9.419 1.00 0.00 C ATOM 873 C LEU A 55 0.876 3.579 9.094 1.00 0.00 C ATOM 874 O LEU A 55 -0.016 3.557 8.271 1.00 0.00 O ATOM 875 CB LEU A 55 1.110 1.602 10.636 1.00 0.00 C ATOM 876 CG LEU A 55 0.356 0.358 10.167 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.736 0.768 9.177 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.336 -0.594 9.475 1.00 0.00 C ATOM 0 H LEU A 55 3.304 2.566 10.787 1.00 0.00 H new ATOM 0 HA LEU A 55 1.659 1.689 8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.910 1.321 11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.440 2.264 11.184 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.098 -0.140 11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.275 -0.118 8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.431 1.452 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.282 1.263 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.803 -1.483 9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.785 -0.094 8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.118 -0.884 10.176 1.00 0.00 H new ATOM 890 N SER A 56 1.184 4.680 9.730 1.00 0.00 N ATOM 891 CA SER A 56 0.427 5.930 9.443 1.00 0.00 C ATOM 892 C SER A 56 0.538 6.257 7.954 1.00 0.00 C ATOM 893 O SER A 56 -0.438 6.578 7.304 1.00 0.00 O ATOM 894 CB SER A 56 1.110 7.008 10.284 1.00 0.00 C ATOM 895 OG SER A 56 0.481 8.261 10.047 1.00 0.00 O ATOM 0 H SER A 56 1.921 4.765 10.430 1.00 0.00 H new ATOM 0 HA SER A 56 -0.633 5.848 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.049 6.752 11.342 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.169 7.066 10.031 1.00 0.00 H new ATOM 0 HG SER A 56 0.917 8.953 10.587 1.00 0.00 H new ATOM 901 N GLU A 57 1.715 6.150 7.400 1.00 0.00 N ATOM 902 CA GLU A 57 1.872 6.424 5.946 1.00 0.00 C ATOM 903 C GLU A 57 1.248 5.272 5.159 1.00 0.00 C ATOM 904 O GLU A 57 0.651 5.467 4.120 1.00 0.00 O ATOM 905 CB GLU A 57 3.379 6.516 5.693 1.00 0.00 C ATOM 906 CG GLU A 57 4.067 5.245 6.186 1.00 0.00 C ATOM 907 CD GLU A 57 5.504 5.206 5.664 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.870 6.107 4.927 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.215 4.276 6.010 1.00 0.00 O ATOM 0 H GLU A 57 2.570 5.886 7.890 1.00 0.00 H new ATOM 0 HA GLU A 57 1.378 7.345 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.570 6.654 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.790 7.385 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.064 5.217 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.520 4.367 5.843 1.00 0.00 H new ATOM 916 N LYS A 58 1.369 4.068 5.660 1.00 0.00 N ATOM 917 CA LYS A 58 0.764 2.907 4.948 1.00 0.00 C ATOM 918 C LYS A 58 -0.746 3.131 4.804 1.00 0.00 C ATOM 919 O LYS A 58 -1.326 2.902 3.760 1.00 0.00 O ATOM 920 CB LYS A 58 1.035 1.701 5.851 1.00 0.00 C ATOM 921 CG LYS A 58 2.449 1.173 5.602 1.00 0.00 C ATOM 922 CD LYS A 58 2.582 -0.221 6.222 1.00 0.00 C ATOM 923 CE LYS A 58 4.055 -0.522 6.512 1.00 0.00 C ATOM 924 NZ LYS A 58 4.493 0.556 7.443 1.00 0.00 N ATOM 0 H LYS A 58 1.858 3.842 6.526 1.00 0.00 H new ATOM 0 HA LYS A 58 1.176 2.766 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.923 1.986 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.304 0.916 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.650 1.129 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.185 1.849 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.002 -0.276 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.175 -0.971 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.175 -1.507 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.646 -0.517 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.327 1.037 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.722 1.243 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.736 0.141 8.365 1.00 0.00 H new ATOM 938 N LYS A 59 -1.380 3.593 5.849 1.00 0.00 N ATOM 939 CA LYS A 59 -2.849 3.851 5.786 1.00 0.00 C ATOM 940 C LYS A 59 -3.125 5.066 4.898 1.00 0.00 C ATOM 941 O LYS A 59 -4.082 5.095 4.151 1.00 0.00 O ATOM 942 CB LYS A 59 -3.256 4.139 7.230 1.00 0.00 C ATOM 943 CG LYS A 59 -2.820 2.977 8.125 1.00 0.00 C ATOM 944 CD LYS A 59 -2.749 3.448 9.578 1.00 0.00 C ATOM 945 CE LYS A 59 -3.610 2.535 10.454 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.114 2.752 11.841 1.00 0.00 N ATOM 0 H LYS A 59 -0.943 3.803 6.746 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.405 3.013 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.796 5.067 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.335 4.276 7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.525 2.150 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.847 2.603 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.716 3.434 9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.098 4.478 9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.667 2.788 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.507 1.491 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.657 2.159 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.107 2.496 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.231 3.753 12.099 1.00 0.00 H new ATOM 960 N GLN A 60 -2.287 6.066 4.967 1.00 0.00 N ATOM 961 CA GLN A 60 -2.502 7.269 4.115 1.00 0.00 C ATOM 962 C GLN A 60 -2.461 6.853 2.647 1.00 0.00 C ATOM 963 O GLN A 60 -3.209 7.347 1.826 1.00 0.00 O ATOM 964 CB GLN A 60 -1.338 8.206 4.440 1.00 0.00 C ATOM 965 CG GLN A 60 -1.705 9.080 5.639 1.00 0.00 C ATOM 966 CD GLN A 60 -1.987 10.507 5.164 1.00 0.00 C ATOM 967 OE1 GLN A 60 -1.272 11.036 4.336 1.00 0.00 O ATOM 968 NE2 GLN A 60 -3.006 11.156 5.656 1.00 0.00 N ATOM 0 H GLN A 60 -1.468 6.101 5.573 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.463 7.751 4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.442 7.626 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.109 8.832 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.581 8.674 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.891 9.081 6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.606 10.712 6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.203 12.108 5.346 1.00 0.00 H new ATOM 977 N ALA A 61 -1.600 5.932 2.316 1.00 0.00 N ATOM 978 CA ALA A 61 -1.519 5.465 0.906 1.00 0.00 C ATOM 979 C ALA A 61 -2.745 4.608 0.585 1.00 0.00 C ATOM 980 O ALA A 61 -3.309 4.696 -0.486 1.00 0.00 O ATOM 981 CB ALA A 61 -0.240 4.631 0.830 1.00 0.00 C ATOM 0 H ALA A 61 -0.950 5.483 2.961 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.499 6.287 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.113 4.251 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.616 5.252 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.310 3.794 1.525 1.00 0.00 H new ATOM 987 N PHE A 62 -3.172 3.788 1.509 1.00 0.00 N ATOM 988 CA PHE A 62 -4.373 2.945 1.250 1.00 0.00 C ATOM 989 C PHE A 62 -5.600 3.847 1.094 1.00 0.00 C ATOM 990 O PHE A 62 -6.401 3.678 0.196 1.00 0.00 O ATOM 991 CB PHE A 62 -4.516 2.052 2.481 1.00 0.00 C ATOM 992 CG PHE A 62 -5.888 1.423 2.480 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.505 1.101 1.266 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.544 1.172 3.689 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.776 0.526 1.256 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.822 0.593 3.683 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.436 0.270 2.464 1.00 0.00 C ATOM 0 H PHE A 62 -2.743 3.667 2.426 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.281 2.353 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.748 1.278 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.372 2.638 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.996 1.298 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.068 1.423 4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.250 0.279 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.332 0.397 4.615 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.419 -0.177 2.457 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.740 4.821 1.952 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.900 5.747 1.838 1.00 0.00 C ATOM 1009 C ASN A 63 -6.803 6.495 0.511 1.00 0.00 C ATOM 1010 O ASN A 63 -7.761 6.604 -0.230 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.765 6.710 3.019 1.00 0.00 C ATOM 1012 CG ASN A 63 -8.147 6.992 3.611 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.854 7.866 3.147 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -8.567 6.283 4.623 1.00 0.00 N ATOM 0 H ASN A 63 -5.103 5.014 2.724 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.861 5.233 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.113 6.280 3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.302 7.641 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.488 6.462 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.975 5.550 5.013 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.639 6.987 0.198 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.454 7.706 -1.091 1.00 0.00 C ATOM 1023 C ALA A 64 -5.692 6.728 -2.242 1.00 0.00 C ATOM 1024 O ALA A 64 -6.196 7.086 -3.287 1.00 0.00 O ATOM 1025 CB ALA A 64 -4.004 8.187 -1.081 1.00 0.00 C ATOM 0 H ALA A 64 -4.805 6.922 0.781 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.145 8.540 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.794 8.728 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.846 8.848 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.337 7.329 -1.003 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.336 5.486 -2.045 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.546 4.472 -3.113 1.00 0.00 C ATOM 1033 C TYR A 65 -7.040 4.359 -3.416 1.00 0.00 C ATOM 1034 O TYR A 65 -7.454 4.318 -4.557 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.014 3.165 -2.519 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.613 1.992 -3.258 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -4.984 1.500 -4.407 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.802 1.404 -2.797 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.541 0.417 -5.099 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.356 0.323 -3.490 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.726 -0.171 -4.641 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.275 -1.239 -5.322 1.00 0.00 O ATOM 0 H TYR A 65 -4.909 5.132 -1.189 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.043 4.725 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.927 3.137 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.264 3.107 -1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.070 1.955 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.287 1.785 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.056 0.036 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.270 -0.132 -3.138 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.250 -1.222 -5.226 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.853 4.319 -2.397 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.319 4.224 -2.625 1.00 0.00 C ATOM 1054 C LYS A 66 -9.839 5.551 -3.181 1.00 0.00 C ATOM 1055 O LYS A 66 -10.801 5.593 -3.923 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.914 3.949 -1.246 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.391 2.613 -0.715 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.062 2.304 0.624 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.402 3.131 1.726 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.217 2.871 2.945 1.00 0.00 N ATOM 0 H LYS A 66 -7.565 4.348 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.584 3.447 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.650 4.753 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.002 3.926 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.598 1.818 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.309 2.656 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.126 2.532 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.975 1.241 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.364 2.833 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.397 4.191 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.137 3.679 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.213 2.741 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.871 2.011 3.417 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.203 6.635 -2.829 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.648 7.964 -3.336 1.00 0.00 C ATOM 1076 C VAL A 67 -9.052 8.223 -4.722 1.00 0.00 C ATOM 1077 O VAL A 67 -9.603 8.955 -5.520 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.106 8.975 -2.325 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.519 10.387 -2.739 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.676 8.665 -0.940 1.00 0.00 C ATOM 0 H VAL A 67 -8.392 6.657 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.732 8.028 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.018 8.910 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.132 11.106 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.114 10.610 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.607 10.454 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.290 9.385 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.764 8.730 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.381 7.659 -0.642 1.00 0.00 H new ATOM 1090 N GLN A 68 -7.929 7.626 -5.014 1.00 0.00 N ATOM 1091 CA GLN A 68 -7.296 7.836 -6.347 1.00 0.00 C ATOM 1092 C GLN A 68 -8.045 7.038 -7.418 1.00 0.00 C ATOM 1093 O GLN A 68 -7.879 7.259 -8.601 1.00 0.00 O ATOM 1094 CB GLN A 68 -5.866 7.318 -6.191 1.00 0.00 C ATOM 1095 CG GLN A 68 -5.240 7.122 -7.572 1.00 0.00 C ATOM 1096 CD GLN A 68 -5.583 5.725 -8.092 1.00 0.00 C ATOM 1097 OE1 GLN A 68 -5.943 4.852 -7.330 1.00 0.00 O ATOM 1098 NE2 GLN A 68 -5.486 5.477 -9.370 1.00 0.00 N ATOM 0 H GLN A 68 -7.422 7.001 -4.387 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.318 8.881 -6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.274 8.024 -5.609 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.867 6.375 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.610 7.880 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.159 7.245 -7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.183 6.211 -10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.713 4.549 -9.728 1.00 0.00 H new ATOM 1107 N THR A 69 -8.868 6.110 -7.013 1.00 0.00 N ATOM 1108 CA THR A 69 -9.628 5.298 -8.007 1.00 0.00 C ATOM 1109 C THR A 69 -11.094 5.741 -8.039 1.00 0.00 C ATOM 1110 O THR A 69 -11.930 5.111 -8.658 1.00 0.00 O ATOM 1111 CB THR A 69 -9.512 3.857 -7.511 1.00 0.00 C ATOM 1112 OG1 THR A 69 -9.977 2.970 -8.519 1.00 0.00 O ATOM 1113 CG2 THR A 69 -10.353 3.682 -6.244 1.00 0.00 C ATOM 0 H THR A 69 -9.048 5.878 -6.036 1.00 0.00 H new ATOM 0 HA THR A 69 -9.240 5.412 -9.019 1.00 0.00 H new ATOM 0 HB THR A 69 -8.469 3.633 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.766 3.355 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.270 2.654 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.993 4.361 -5.471 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.396 3.906 -6.466 1.00 0.00 H new ATOM 1121 N GLU A 70 -11.411 6.819 -7.376 1.00 0.00 N ATOM 1122 CA GLU A 70 -12.823 7.303 -7.364 1.00 0.00 C ATOM 1123 C GLU A 70 -13.772 6.166 -6.976 1.00 0.00 C ATOM 1124 O GLU A 70 -14.082 5.973 -5.818 1.00 0.00 O ATOM 1125 CB GLU A 70 -13.096 7.767 -8.796 1.00 0.00 C ATOM 1126 CG GLU A 70 -13.036 9.295 -8.856 1.00 0.00 C ATOM 1127 CD GLU A 70 -12.418 9.731 -10.185 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -13.035 9.489 -11.210 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -11.339 10.301 -10.157 1.00 0.00 O ATOM 0 H GLU A 70 -10.754 7.387 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.978 8.103 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.361 7.336 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.075 7.418 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.038 9.713 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.445 9.679 -8.025 1.00 0.00 H new ATOM 1136 N LYS A 71 -14.235 5.413 -7.936 1.00 0.00 N ATOM 1137 CA LYS A 71 -15.164 4.291 -7.619 1.00 0.00 C ATOM 1138 C LYS A 71 -14.396 3.129 -6.983 1.00 0.00 C ATOM 1139 O LYS A 71 -13.353 2.775 -7.509 1.00 0.00 O ATOM 1140 CB LYS A 71 -15.748 3.873 -8.969 1.00 0.00 C ATOM 1141 CG LYS A 71 -17.033 3.073 -8.748 1.00 0.00 C ATOM 1142 CD LYS A 71 -17.889 3.132 -10.014 1.00 0.00 C ATOM 1143 CE LYS A 71 -19.073 4.075 -9.788 1.00 0.00 C ATOM 1144 NZ LYS A 71 -20.256 3.343 -10.320 1.00 0.00 N ATOM 1145 OXT LYS A 71 -14.863 2.614 -5.981 1.00 0.00 O ATOM 0 H LYS A 71 -14.011 5.526 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.939 4.583 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.957 4.755 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.024 3.272 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.793 2.038 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.587 3.479 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.289 3.480 -10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.248 2.135 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.196 4.308 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.928 5.022 -10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.108 3.927 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.114 3.141 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.373 2.449 -9.801 1.00 0.00 H new TER 1159 LYS A 71