USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 730 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: 1 38 ASN : amide:sc= -6.99! C(o=-15!,f=-16!) USER MOD Set 1.2: 1 42 GLN : amide:sc= -7.79! C(o=-15!,f=-15!) USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : 1 27 GLN : amide:sc=-0.00392 X(o=-0.0039,f=0) USER MOD Single : 1 32 SER OG : rot 40:sc= 1.07 USER MOD Single : 1 34 GLN : amide:sc= -0.725 K(o=-0.72,f=-4.8!) USER MOD Single : 1 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 48 SER OG : rot 170:sc= -0.175 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 74 TYR OH : rot 180:sc= 0 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 78 THR OG1 : rot 88:sc= 0.545 USER MOD Single : 1 88 LYS NZ :NH3+ 148:sc= -0.206 (180deg=-0.89) USER MOD Single : 1 89 LYS NZ :NH3+ 152:sc= -0.371 (180deg=-1.51!) USER MOD Single : 1 92 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.46) USER MOD Single : 1 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 99 THR OG1 : rot -16:sc= 0.575 USER MOD Single : 1 105 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : 1 106 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-0.049) USER MOD Single : 1 107 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.029) USER MOD Single : 1 108 HIS : no HE2:sc= -0.757 K(o=-0.76,f=-3.1!) USER MOD Single : 1 109 HIS : no HD1:sc= -0.0489 X(o=-0.049,f=-0.44) USER MOD Single : 1 110 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA 1 22 -15.160 6.677 9.350 1.00 0.00 N ATOM 2 CA ALA 1 22 -14.074 5.728 8.992 1.00 0.00 C ATOM 3 C ALA 1 22 -13.084 5.570 10.140 1.00 0.00 C ATOM 4 O ALA 1 22 -12.366 6.508 10.488 1.00 0.00 O ATOM 5 CB ALA 1 22 -13.355 6.199 7.737 1.00 0.00 C ATOM 0 HA ALA 1 22 -14.525 4.755 8.797 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -12.562 5.495 7.486 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -14.064 6.256 6.911 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -12.923 7.184 7.913 1.00 0.00 H new ATOM 13 N ASN 1 23 -13.051 4.377 10.726 1.00 0.00 N ATOM 14 CA ASN 1 23 -12.148 4.096 11.837 1.00 0.00 C ATOM 15 C ASN 1 23 -11.058 3.115 11.416 1.00 0.00 C ATOM 16 O ASN 1 23 -10.787 2.136 12.112 1.00 0.00 O ATOM 17 CB ASN 1 23 -12.930 3.532 13.026 1.00 0.00 C ATOM 18 CG ASN 1 23 -14.029 4.467 13.490 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -15.133 4.466 12.944 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -13.733 5.272 14.504 1.00 0.00 N ATOM 0 H ASN 1 23 -13.639 3.590 10.450 1.00 0.00 H new ATOM 0 HA ASN 1 23 -11.674 5.031 12.135 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -13.366 2.572 12.748 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -12.244 3.343 13.852 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -14.433 5.923 14.860 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -12.805 5.240 14.927 1.00 0.00 H new ATOM 27 N VAL 1 24 -10.435 3.384 10.274 1.00 0.00 N ATOM 28 CA VAL 1 24 -9.375 2.524 9.763 1.00 0.00 C ATOM 29 C VAL 1 24 -8.288 3.339 9.069 1.00 0.00 C ATOM 30 O VAL 1 24 -8.556 4.402 8.509 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.926 1.476 8.777 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.942 0.577 9.464 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -10.540 2.154 7.561 1.00 0.00 C ATOM 0 H VAL 1 24 -10.646 4.190 9.685 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.945 2.011 10.623 1.00 0.00 H new ATOM 0 HB VAL 1 24 -9.097 0.855 8.437 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -11.320 -0.156 8.751 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -10.466 0.061 10.298 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -11.770 1.181 9.836 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.923 1.397 6.877 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -11.357 2.802 7.879 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -9.781 2.750 7.054 1.00 0.00 H new ATOM 43 N ARG 1 25 -7.062 2.829 9.108 1.00 0.00 N ATOM 44 CA ARG 1 25 -5.931 3.503 8.481 1.00 0.00 C ATOM 45 C ARG 1 25 -4.903 2.487 7.992 1.00 0.00 C ATOM 46 O ARG 1 25 -4.355 1.717 8.781 1.00 0.00 O ATOM 47 CB ARG 1 25 -5.278 4.474 9.467 1.00 0.00 C ATOM 48 CG ARG 1 25 -6.148 5.673 9.806 1.00 0.00 C ATOM 49 CD ARG 1 25 -7.000 5.413 11.038 1.00 0.00 C ATOM 50 NE ARG 1 25 -6.359 5.896 12.258 1.00 0.00 N ATOM 51 CZ ARG 1 25 -6.268 7.182 12.589 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -6.774 8.116 11.793 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -5.669 7.535 13.717 1.00 0.00 N ATOM 0 H ARG 1 25 -6.826 1.950 9.568 1.00 0.00 H new ATOM 0 HA ARG 1 25 -6.301 4.065 7.623 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -5.037 3.939 10.386 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -4.336 4.826 9.047 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -5.517 6.545 9.976 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -6.793 5.907 8.959 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -7.968 5.901 10.919 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -7.191 4.344 11.128 1.00 0.00 H new ATOM 0 HE ARG 1 25 -5.957 5.207 12.894 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -7.235 7.850 10.923 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -6.702 9.100 12.051 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -5.278 6.821 14.332 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -5.599 8.520 13.971 1.00 0.00 H new ATOM 67 N LEU 1 26 -4.648 2.488 6.688 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.689 1.562 6.100 1.00 0.00 C ATOM 69 C LEU 1 26 -2.262 1.930 6.491 1.00 0.00 C ATOM 70 O LEU 1 26 -1.880 3.100 6.462 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.831 1.548 4.576 1.00 0.00 C ATOM 72 CG LEU 1 26 -4.852 0.549 4.022 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -6.078 0.469 4.920 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -5.252 0.936 2.608 1.00 0.00 C ATOM 0 H LEU 1 26 -5.091 3.119 6.020 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.902 0.565 6.486 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -4.110 2.548 4.244 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.857 1.327 4.139 1.00 0.00 H new ATOM 0 HG LEU 1 26 -4.388 -0.437 3.998 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -6.787 -0.247 4.505 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -5.778 0.146 5.917 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -6.548 1.451 4.983 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -5.978 0.218 2.226 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -5.695 1.932 2.615 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -4.370 0.936 1.968 1.00 0.00 H new ATOM 86 N GLN 1 27 -1.481 0.921 6.858 1.00 0.00 N ATOM 87 CA GLN 1 27 -0.093 1.133 7.258 1.00 0.00 C ATOM 88 C GLN 1 27 0.852 0.924 6.078 1.00 0.00 C ATOM 89 O GLN 1 27 0.593 0.099 5.201 1.00 0.00 O ATOM 90 CB GLN 1 27 0.279 0.190 8.404 1.00 0.00 C ATOM 91 CG GLN 1 27 0.716 0.913 9.668 1.00 0.00 C ATOM 92 CD GLN 1 27 -0.456 1.347 10.526 1.00 0.00 C ATOM 93 OE1 GLN 1 27 -0.753 2.536 10.636 1.00 0.00 O ATOM 94 NE2 GLN 1 27 -1.130 0.381 11.141 1.00 0.00 N ATOM 0 H GLN 1 27 -1.784 -0.052 6.887 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.008 2.163 7.600 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 -0.577 -0.443 8.635 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 1.083 -0.469 8.075 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 1.365 0.259 10.250 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 1.306 1.788 9.396 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 -0.849 -0.592 11.022 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 -1.928 0.613 11.732 1.00 0.00 H new ATOM 103 N VAL 1 28 1.948 1.676 6.063 1.00 0.00 N ATOM 104 CA VAL 1 28 2.932 1.575 4.989 1.00 0.00 C ATOM 105 C VAL 1 28 4.200 0.873 5.462 1.00 0.00 C ATOM 106 O VAL 1 28 4.721 1.166 6.538 1.00 0.00 O ATOM 107 CB VAL 1 28 3.312 2.961 4.427 1.00 0.00 C ATOM 108 CG1 VAL 1 28 2.324 3.394 3.356 1.00 0.00 C ATOM 109 CG2 VAL 1 28 3.392 3.995 5.541 1.00 0.00 C ATOM 0 H VAL 1 28 2.178 2.362 6.782 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.464 0.988 4.199 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.298 2.884 3.969 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 2.609 4.374 2.972 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.330 2.670 2.542 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 1.324 3.450 3.785 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 3.661 4.964 5.120 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 2.424 4.071 6.037 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 4.148 3.692 6.265 1.00 0.00 H new ATOM 119 N GLU 1 29 4.695 -0.051 4.645 1.00 0.00 N ATOM 120 CA GLU 1 29 5.907 -0.793 4.973 1.00 0.00 C ATOM 121 C GLU 1 29 6.736 -1.059 3.719 1.00 0.00 C ATOM 122 O GLU 1 29 6.224 -1.563 2.720 1.00 0.00 O ATOM 123 CB GLU 1 29 5.553 -2.114 5.661 1.00 0.00 C ATOM 124 CG GLU 1 29 5.746 -2.085 7.169 1.00 0.00 C ATOM 125 CD GLU 1 29 6.331 -3.376 7.706 1.00 0.00 C ATOM 126 OE1 GLU 1 29 7.545 -3.601 7.520 1.00 0.00 O ATOM 127 OE2 GLU 1 29 5.574 -4.162 8.315 1.00 0.00 O ATOM 0 H GLU 1 29 4.275 -0.304 3.750 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.502 -0.188 5.657 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.515 -2.362 5.441 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.167 -2.910 5.240 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.403 -1.256 7.432 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 4.787 -1.897 7.651 1.00 0.00 H new ATOM 134 N GLY 1 30 8.017 -0.712 3.779 1.00 0.00 N ATOM 135 CA GLY 1 30 8.899 -0.916 2.644 1.00 0.00 C ATOM 136 C GLY 1 30 8.802 0.203 1.628 1.00 0.00 C ATOM 137 O GLY 1 30 8.785 -0.037 0.421 1.00 0.00 O ATOM 0 H GLY 1 30 8.462 -0.292 4.595 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 9.927 -0.995 2.996 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.654 -1.863 2.162 1.00 0.00 H new ATOM 141 N LEU 1 31 8.737 1.429 2.127 1.00 0.00 N ATOM 142 CA LEU 1 31 8.638 2.606 1.277 1.00 0.00 C ATOM 143 C LEU 1 31 9.479 3.747 1.839 1.00 0.00 C ATOM 144 O LEU 1 31 9.790 3.771 3.030 1.00 0.00 O ATOM 145 CB LEU 1 31 7.183 3.039 1.162 1.00 0.00 C ATOM 146 CG LEU 1 31 6.211 1.913 0.820 1.00 0.00 C ATOM 147 CD1 LEU 1 31 4.791 2.312 1.173 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.320 1.554 -0.652 1.00 0.00 C ATOM 0 H LEU 1 31 8.751 1.635 3.126 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.017 2.353 0.287 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 6.877 3.492 2.105 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.107 3.812 0.397 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.473 1.034 1.409 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.111 1.498 0.923 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 4.727 2.523 2.241 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 4.513 3.203 0.610 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.622 0.750 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.081 2.428 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.336 1.227 -0.872 1.00 0.00 H new ATOM 160 N SER 1 32 9.845 4.688 0.979 1.00 0.00 N ATOM 161 CA SER 1 32 10.651 5.830 1.395 1.00 0.00 C ATOM 162 C SER 1 32 10.633 6.928 0.337 1.00 0.00 C ATOM 163 O SER 1 32 10.356 6.672 -0.835 1.00 0.00 O ATOM 164 CB SER 1 32 12.091 5.391 1.667 1.00 0.00 C ATOM 165 OG SER 1 32 12.252 4.976 3.012 1.00 0.00 O ATOM 0 H SER 1 32 9.597 4.684 -0.010 1.00 0.00 H new ATOM 0 HA SER 1 32 10.220 6.231 2.312 1.00 0.00 H new ATOM 0 HB2 SER 1 32 12.358 4.574 0.997 1.00 0.00 H new ATOM 0 HB3 SER 1 32 12.772 6.215 1.453 1.00 0.00 H new ATOM 0 HG SER 1 32 11.469 4.457 3.290 1.00 0.00 H new ATOM 171 N GLY 1 33 10.938 8.150 0.759 1.00 0.00 N ATOM 172 CA GLY 1 33 10.960 9.272 -0.162 1.00 0.00 C ATOM 173 C GLY 1 33 9.640 9.472 -0.880 1.00 0.00 C ATOM 174 O GLY 1 33 8.632 9.811 -0.259 1.00 0.00 O ATOM 0 H GLY 1 33 11.171 8.384 1.724 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 11.211 10.180 0.386 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 11.748 9.116 -0.898 1.00 0.00 H new ATOM 178 N GLN 1 34 9.649 9.271 -2.194 1.00 0.00 N ATOM 179 CA GLN 1 34 8.447 9.439 -3.004 1.00 0.00 C ATOM 180 C GLN 1 34 7.623 8.153 -3.064 1.00 0.00 C ATOM 181 O GLN 1 34 6.493 8.158 -3.546 1.00 0.00 O ATOM 182 CB GLN 1 34 8.821 9.887 -4.419 1.00 0.00 C ATOM 183 CG GLN 1 34 7.978 11.042 -4.933 1.00 0.00 C ATOM 184 CD GLN 1 34 8.508 12.393 -4.493 1.00 0.00 C ATOM 185 OE1 GLN 1 34 7.783 13.196 -3.905 1.00 0.00 O ATOM 186 NE2 GLN 1 34 9.780 12.650 -4.775 1.00 0.00 N ATOM 0 H GLN 1 34 10.476 8.991 -2.721 1.00 0.00 H new ATOM 0 HA GLN 1 34 7.835 10.207 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 9.871 10.180 -4.433 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 8.717 9.041 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 7.945 11.006 -6.022 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 6.954 10.925 -4.579 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 10.344 11.955 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 10.193 13.542 -4.502 1.00 0.00 H new ATOM 195 N LEU 1 35 8.185 7.054 -2.574 1.00 0.00 N ATOM 196 CA LEU 1 35 7.479 5.780 -2.577 1.00 0.00 C ATOM 197 C LEU 1 35 6.494 5.725 -1.421 1.00 0.00 C ATOM 198 O LEU 1 35 5.318 5.409 -1.602 1.00 0.00 O ATOM 199 CB LEU 1 35 8.464 4.624 -2.481 1.00 0.00 C ATOM 200 CG LEU 1 35 9.182 4.283 -3.785 1.00 0.00 C ATOM 201 CD1 LEU 1 35 8.341 3.360 -4.635 1.00 0.00 C ATOM 202 CD2 LEU 1 35 9.513 5.538 -4.567 1.00 0.00 C ATOM 0 H LEU 1 35 9.122 7.020 -2.172 1.00 0.00 H new ATOM 0 HA LEU 1 35 6.930 5.691 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 9.211 4.863 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 7.931 3.739 -2.134 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.112 3.776 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 8.873 3.131 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 8.148 2.437 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 7.394 3.845 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 10.024 5.267 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 8.593 6.072 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 10.161 6.179 -3.969 1.00 0.00 H new ATOM 214 N GLU 1 36 6.985 6.049 -0.230 1.00 0.00 N ATOM 215 CA GLU 1 36 6.160 6.053 0.963 1.00 0.00 C ATOM 216 C GLU 1 36 5.074 7.120 0.854 1.00 0.00 C ATOM 217 O GLU 1 36 3.980 6.965 1.396 1.00 0.00 O ATOM 218 CB GLU 1 36 7.032 6.300 2.195 1.00 0.00 C ATOM 219 CG GLU 1 36 7.539 7.729 2.313 1.00 0.00 C ATOM 220 CD GLU 1 36 8.278 7.980 3.613 1.00 0.00 C ATOM 221 OE1 GLU 1 36 7.610 8.234 4.637 1.00 0.00 O ATOM 222 OE2 GLU 1 36 9.526 7.921 3.607 1.00 0.00 O ATOM 0 H GLU 1 36 7.957 6.313 -0.069 1.00 0.00 H new ATOM 0 HA GLU 1 36 5.676 5.082 1.063 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 6.460 6.053 3.089 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 7.886 5.623 2.166 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 8.201 7.946 1.475 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 6.697 8.417 2.240 1.00 0.00 H new ATOM 229 N LYS 1 37 5.385 8.201 0.142 1.00 0.00 N ATOM 230 CA LYS 1 37 4.434 9.288 -0.046 1.00 0.00 C ATOM 231 C LYS 1 37 3.351 8.881 -1.043 1.00 0.00 C ATOM 232 O LYS 1 37 2.165 9.140 -0.830 1.00 0.00 O ATOM 233 CB LYS 1 37 5.159 10.563 -0.511 1.00 0.00 C ATOM 234 CG LYS 1 37 5.457 10.615 -2.002 1.00 0.00 C ATOM 235 CD LYS 1 37 4.243 11.056 -2.806 1.00 0.00 C ATOM 236 CE LYS 1 37 4.465 12.413 -3.457 1.00 0.00 C ATOM 237 NZ LYS 1 37 3.846 13.514 -2.669 1.00 0.00 N ATOM 0 H LYS 1 37 6.287 8.345 -0.312 1.00 0.00 H new ATOM 0 HA LYS 1 37 3.954 9.501 0.909 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 4.551 11.428 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 6.097 10.652 0.037 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 6.283 11.303 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 5.781 9.631 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 4.026 10.314 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 3.371 11.103 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 5.535 12.596 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 4.046 12.406 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 4.019 14.422 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 2.821 13.353 -2.593 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 4.264 13.537 -1.717 1.00 0.00 H new ATOM 251 N ASN 1 38 3.766 8.227 -2.126 1.00 0.00 N ATOM 252 CA ASN 1 38 2.831 7.771 -3.146 1.00 0.00 C ATOM 253 C ASN 1 38 1.872 6.744 -2.557 1.00 0.00 C ATOM 254 O ASN 1 38 0.657 6.831 -2.744 1.00 0.00 O ATOM 255 CB ASN 1 38 3.584 7.164 -4.333 1.00 0.00 C ATOM 256 CG ASN 1 38 3.032 7.630 -5.666 1.00 0.00 C ATOM 257 OD1 ASN 1 38 2.425 6.854 -6.404 1.00 0.00 O ATOM 258 ND2 ASN 1 38 3.241 8.902 -5.982 1.00 0.00 N ATOM 0 H ASN 1 38 4.742 8.002 -2.317 1.00 0.00 H new ATOM 0 HA ASN 1 38 2.260 8.630 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 4.639 7.431 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 3.527 6.077 -4.279 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 2.893 9.271 -6.867 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 3.749 9.510 -5.340 1.00 0.00 H new ATOM 265 N VAL 1 39 2.428 5.777 -1.835 1.00 0.00 N ATOM 266 CA VAL 1 39 1.627 4.738 -1.207 1.00 0.00 C ATOM 267 C VAL 1 39 0.658 5.345 -0.202 1.00 0.00 C ATOM 268 O VAL 1 39 -0.498 4.933 -0.112 1.00 0.00 O ATOM 269 CB VAL 1 39 2.511 3.694 -0.500 1.00 0.00 C ATOM 270 CG1 VAL 1 39 1.662 2.556 0.049 1.00 0.00 C ATOM 271 CG2 VAL 1 39 3.577 3.167 -1.451 1.00 0.00 C ATOM 0 H VAL 1 39 3.431 5.693 -1.671 1.00 0.00 H new ATOM 0 HA VAL 1 39 1.066 4.238 -1.997 1.00 0.00 H new ATOM 0 HB VAL 1 39 3.012 4.176 0.339 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 2.305 1.829 0.545 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 0.942 2.952 0.765 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 1.130 2.071 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 4.193 2.430 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 3.098 2.701 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 4.204 3.992 -1.788 1.00 0.00 H new ATOM 281 N ARG 1 40 1.134 6.339 0.545 1.00 0.00 N ATOM 282 CA ARG 1 40 0.303 7.013 1.535 1.00 0.00 C ATOM 283 C ARG 1 40 -0.958 7.563 0.879 1.00 0.00 C ATOM 284 O ARG 1 40 -2.066 7.375 1.383 1.00 0.00 O ATOM 285 CB ARG 1 40 1.084 8.145 2.206 1.00 0.00 C ATOM 286 CG ARG 1 40 1.760 7.732 3.503 1.00 0.00 C ATOM 287 CD ARG 1 40 0.820 7.874 4.690 1.00 0.00 C ATOM 288 NE ARG 1 40 1.513 8.357 5.882 1.00 0.00 N ATOM 289 CZ ARG 1 40 0.895 8.887 6.935 1.00 0.00 C ATOM 290 NH1 ARG 1 40 -0.427 9.005 6.948 1.00 0.00 N ATOM 291 NH2 ARG 1 40 1.601 9.301 7.979 1.00 0.00 N ATOM 0 H ARG 1 40 2.088 6.693 0.482 1.00 0.00 H new ATOM 0 HA ARG 1 40 0.016 6.288 2.297 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 1.840 8.514 1.513 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 0.405 8.974 2.408 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 2.097 6.698 3.426 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 2.647 8.345 3.664 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 0.015 8.563 4.435 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 0.359 6.910 4.904 1.00 0.00 H new ATOM 0 HE ARG 1 40 2.530 8.284 5.909 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 -0.975 8.689 6.148 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 -0.895 9.412 7.758 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 2.617 9.213 7.975 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 1.128 9.707 8.786 1.00 0.00 H new ATOM 305 N ALA 1 41 -0.784 8.228 -0.259 1.00 0.00 N ATOM 306 CA ALA 1 41 -1.913 8.786 -0.991 1.00 0.00 C ATOM 307 C ALA 1 41 -2.883 7.679 -1.386 1.00 0.00 C ATOM 308 O ALA 1 41 -4.094 7.792 -1.183 1.00 0.00 O ATOM 309 CB ALA 1 41 -1.429 9.535 -2.224 1.00 0.00 C ATOM 0 H ALA 1 41 0.125 8.393 -0.692 1.00 0.00 H new ATOM 0 HA ALA 1 41 -2.434 9.491 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -2.285 9.946 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 -0.768 10.346 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 -0.887 8.850 -2.876 1.00 0.00 H new ATOM 315 N GLN 1 42 -2.339 6.597 -1.934 1.00 0.00 N ATOM 316 CA GLN 1 42 -3.152 5.462 -2.339 1.00 0.00 C ATOM 317 C GLN 1 42 -3.803 4.829 -1.115 1.00 0.00 C ATOM 318 O GLN 1 42 -4.941 4.368 -1.173 1.00 0.00 O ATOM 319 CB GLN 1 42 -2.302 4.430 -3.084 1.00 0.00 C ATOM 320 CG GLN 1 42 -1.606 4.993 -4.314 1.00 0.00 C ATOM 321 CD GLN 1 42 -0.140 4.631 -4.373 1.00 0.00 C ATOM 322 OE1 GLN 1 42 0.275 3.590 -3.869 1.00 0.00 O ATOM 323 NE2 GLN 1 42 0.651 5.490 -4.996 1.00 0.00 N ATOM 0 H GLN 1 42 -1.340 6.485 -2.106 1.00 0.00 H new ATOM 0 HA GLN 1 42 -3.932 5.813 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -1.551 4.029 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -2.937 3.597 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -2.104 4.622 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -1.708 6.078 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 0.261 6.342 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 1.650 5.300 -5.073 1.00 0.00 H new ATOM 332 N LEU 1 43 -3.077 4.831 0.000 1.00 0.00 N ATOM 333 CA LEU 1 43 -3.590 4.276 1.245 1.00 0.00 C ATOM 334 C LEU 1 43 -4.854 5.015 1.667 1.00 0.00 C ATOM 335 O LEU 1 43 -5.769 4.428 2.246 1.00 0.00 O ATOM 336 CB LEU 1 43 -2.537 4.375 2.356 1.00 0.00 C ATOM 337 CG LEU 1 43 -1.303 3.469 2.208 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.963 2.810 3.537 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.516 2.412 1.130 1.00 0.00 C ATOM 0 H LEU 1 43 -2.133 5.211 0.065 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.826 3.225 1.080 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -2.197 5.409 2.414 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -3.019 4.144 3.306 1.00 0.00 H new ATOM 0 HG LEU 1 43 -0.465 4.095 1.902 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 -0.087 2.173 3.414 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 -0.751 3.578 4.280 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.807 2.206 3.870 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.625 1.789 1.051 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -2.372 1.791 1.394 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.703 2.900 0.174 1.00 0.00 H new ATOM 351 N SER 1 44 -4.892 6.309 1.369 1.00 0.00 N ATOM 352 CA SER 1 44 -6.038 7.141 1.711 1.00 0.00 C ATOM 353 C SER 1 44 -7.087 7.122 0.601 1.00 0.00 C ATOM 354 O SER 1 44 -8.233 7.516 0.817 1.00 0.00 O ATOM 355 CB SER 1 44 -5.588 8.578 1.977 1.00 0.00 C ATOM 356 OG SER 1 44 -6.326 9.155 3.041 1.00 0.00 O ATOM 0 H SER 1 44 -4.140 6.805 0.890 1.00 0.00 H new ATOM 0 HA SER 1 44 -6.490 6.732 2.615 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -4.525 8.591 2.219 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -5.717 9.176 1.075 1.00 0.00 H new ATOM 0 HG SER 1 44 -6.018 10.073 3.192 1.00 0.00 H new ATOM 362 N THR 1 45 -6.696 6.663 -0.588 1.00 0.00 N ATOM 363 CA THR 1 45 -7.622 6.602 -1.715 1.00 0.00 C ATOM 364 C THR 1 45 -8.330 5.247 -1.770 1.00 0.00 C ATOM 365 O THR 1 45 -9.372 5.108 -2.410 1.00 0.00 O ATOM 366 CB THR 1 45 -6.888 6.891 -3.033 1.00 0.00 C ATOM 367 OG1 THR 1 45 -7.758 7.514 -3.961 1.00 0.00 O ATOM 368 CG2 THR 1 45 -6.313 5.661 -3.704 1.00 0.00 C ATOM 0 H THR 1 45 -5.753 6.331 -0.793 1.00 0.00 H new ATOM 0 HA THR 1 45 -8.382 7.370 -1.572 1.00 0.00 H new ATOM 0 HB THR 1 45 -6.060 7.542 -2.754 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -7.274 7.692 -4.794 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -5.812 5.951 -4.627 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -5.596 5.184 -3.036 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -7.117 4.962 -3.932 1.00 0.00 H new ATOM 376 N ILE 1 46 -7.761 4.254 -1.090 1.00 0.00 N ATOM 377 CA ILE 1 46 -8.342 2.917 -1.058 1.00 0.00 C ATOM 378 C ILE 1 46 -9.765 2.960 -0.500 1.00 0.00 C ATOM 379 O ILE 1 46 -10.164 3.934 0.138 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.477 1.952 -0.203 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -6.064 1.793 -0.788 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -8.139 0.586 -0.081 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -5.961 2.075 -2.274 1.00 0.00 C ATOM 0 H ILE 1 46 -6.898 4.352 -0.554 1.00 0.00 H new ATOM 0 HA ILE 1 46 -8.371 2.546 -2.083 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.392 2.394 0.790 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -5.388 2.462 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.719 0.776 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.512 -0.070 0.523 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -9.113 0.695 0.395 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -8.266 0.153 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -4.930 1.938 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -6.608 1.389 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -6.271 3.101 -2.472 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.521 1.893 -0.743 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.899 1.790 -0.270 1.00 0.00 C ATOM 397 C GLU 1 47 -11.986 1.783 1.260 1.00 0.00 C ATOM 398 O GLU 1 47 -13.076 1.674 1.818 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.550 0.524 -0.828 1.00 0.00 C ATOM 400 CG GLU 1 47 -12.330 0.335 -2.319 1.00 0.00 C ATOM 401 CD GLU 1 47 -13.201 -0.761 -2.902 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -14.358 -0.468 -3.269 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -12.725 -1.913 -2.992 1.00 0.00 O ATOM 0 H GLU 1 47 -10.199 1.081 -1.269 1.00 0.00 H new ATOM 0 HA GLU 1 47 -12.432 2.671 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -12.154 -0.342 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.621 0.558 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -12.538 1.272 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.282 0.097 -2.501 1.00 0.00 H new ATOM 410 N SER 1 48 -10.844 1.887 1.938 1.00 0.00 N ATOM 411 CA SER 1 48 -10.808 1.879 3.402 1.00 0.00 C ATOM 412 C SER 1 48 -11.616 3.025 4.023 1.00 0.00 C ATOM 413 O SER 1 48 -11.548 3.247 5.232 1.00 0.00 O ATOM 414 CB SER 1 48 -9.360 1.946 3.892 1.00 0.00 C ATOM 415 OG SER 1 48 -8.512 2.503 2.903 1.00 0.00 O ATOM 0 H SER 1 48 -9.929 1.978 1.497 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.271 0.946 3.724 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -9.308 2.546 4.800 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.014 0.945 4.151 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.631 2.684 3.292 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.389 3.741 3.209 1.00 0.00 N ATOM 422 CA ASP 1 49 -13.211 4.844 3.699 1.00 0.00 C ATOM 423 C ASP 1 49 -14.476 4.323 4.386 1.00 0.00 C ATOM 424 O ASP 1 49 -15.534 4.947 4.302 1.00 0.00 O ATOM 425 CB ASP 1 49 -13.590 5.775 2.547 1.00 0.00 C ATOM 426 CG ASP 1 49 -14.278 7.038 3.026 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -13.671 7.777 3.830 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -15.425 7.289 2.598 1.00 0.00 O ATOM 0 H ASP 1 49 -12.463 3.576 2.205 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.626 5.401 4.431 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -12.692 6.043 1.990 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -14.247 5.246 1.857 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.358 3.169 5.052 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.478 2.536 5.749 1.00 0.00 C ATOM 435 C GLU 1 50 -16.254 1.622 4.806 1.00 0.00 C ATOM 436 O GLU 1 50 -17.367 1.940 4.386 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.413 3.579 6.371 1.00 0.00 C ATOM 438 CG GLU 1 50 -16.872 3.215 7.772 1.00 0.00 C ATOM 439 CD GLU 1 50 -17.515 4.381 8.497 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -17.273 5.538 8.093 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -18.260 4.137 9.469 1.00 0.00 O ATOM 0 H GLU 1 50 -13.483 2.650 5.122 1.00 0.00 H new ATOM 0 HA GLU 1 50 -15.064 1.933 6.557 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -15.903 4.542 6.402 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.286 3.702 5.730 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -17.583 2.391 7.715 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -16.018 2.860 8.349 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.652 0.481 4.480 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.275 -0.491 3.590 1.00 0.00 C ATOM 450 C VAL 1 51 -16.075 -1.915 4.107 1.00 0.00 C ATOM 451 O VAL 1 51 -15.669 -2.116 5.251 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.717 -0.377 2.154 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.709 1.075 1.703 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.321 -0.975 2.061 1.00 0.00 C ATOM 0 H VAL 1 51 -14.730 0.208 4.821 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.342 -0.269 3.568 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.369 -0.944 1.490 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.313 1.139 0.689 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.726 1.467 1.721 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -15.082 1.661 2.375 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.952 -0.881 1.040 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.652 -0.444 2.738 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.357 -2.028 2.338 1.00 0.00 H new ATOM 464 N THR 1 52 -16.359 -2.898 3.258 1.00 0.00 N ATOM 465 CA THR 1 52 -16.204 -4.299 3.631 1.00 0.00 C ATOM 466 C THR 1 52 -14.905 -4.867 3.061 1.00 0.00 C ATOM 467 O THR 1 52 -14.863 -5.305 1.911 1.00 0.00 O ATOM 468 CB THR 1 52 -17.397 -5.118 3.134 1.00 0.00 C ATOM 469 OG1 THR 1 52 -17.277 -6.472 3.533 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.555 -5.097 1.628 1.00 0.00 C ATOM 0 H THR 1 52 -16.698 -2.750 2.307 1.00 0.00 H new ATOM 0 HA THR 1 52 -16.163 -4.360 4.718 1.00 0.00 H new ATOM 0 HB THR 1 52 -18.273 -4.649 3.581 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -18.050 -6.979 3.207 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.419 -5.697 1.344 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -17.700 -4.070 1.292 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -16.659 -5.508 1.162 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.819 -4.861 3.855 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.518 -5.371 3.412 1.00 0.00 C ATOM 480 C PRO 1 53 -12.516 -6.883 3.210 1.00 0.00 C ATOM 481 O PRO 1 53 -12.715 -7.649 4.153 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.572 -4.985 4.552 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.450 -4.859 5.747 1.00 0.00 C ATOM 484 CD PRO 1 53 -13.770 -4.351 5.238 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.234 -4.957 2.444 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -10.804 -5.744 4.703 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -11.057 -4.048 4.339 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.568 -5.820 6.248 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -12.021 -4.171 6.476 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.602 -4.725 5.834 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -13.821 -3.263 5.267 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.282 -7.301 1.971 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.242 -8.715 1.628 1.00 0.00 C ATOM 494 C ASP 1 54 -11.153 -8.982 0.595 1.00 0.00 C ATOM 495 O ASP 1 54 -10.427 -8.070 0.198 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.602 -9.175 1.097 1.00 0.00 C ATOM 497 CG ASP 1 54 -14.333 -10.070 2.078 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -14.700 -9.581 3.167 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -14.538 -11.259 1.758 1.00 0.00 O ATOM 0 H ASP 1 54 -12.116 -6.674 1.183 1.00 0.00 H new ATOM 0 HA ASP 1 54 -12.011 -9.282 2.530 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.217 -8.302 0.877 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.460 -9.710 0.158 1.00 0.00 H new ATOM 504 N ARG 1 55 -11.042 -10.236 0.164 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.037 -10.626 -0.823 1.00 0.00 C ATOM 506 C ARG 1 55 -9.968 -9.622 -1.972 1.00 0.00 C ATOM 507 O ARG 1 55 -8.914 -9.432 -2.581 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.344 -12.021 -1.370 1.00 0.00 C ATOM 509 CG ARG 1 55 -10.302 -13.112 -0.312 1.00 0.00 C ATOM 510 CD ARG 1 55 -8.931 -13.764 -0.239 1.00 0.00 C ATOM 511 NE ARG 1 55 -8.853 -14.755 0.832 1.00 0.00 N ATOM 512 CZ ARG 1 55 -7.776 -15.498 1.077 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -6.686 -15.366 0.331 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -7.789 -16.376 2.071 1.00 0.00 N ATOM 0 H ARG 1 55 -11.636 -11.001 0.483 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.068 -10.640 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -11.331 -12.012 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -9.627 -12.260 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -10.557 -12.688 0.659 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -11.054 -13.868 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -8.706 -14.242 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -8.173 -12.997 -0.080 1.00 0.00 H new ATOM 0 HE ARG 1 55 -9.672 -14.885 1.427 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -6.671 -14.692 -0.435 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -5.864 -15.938 0.524 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -8.624 -16.482 2.647 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -6.964 -16.946 2.259 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.095 -8.979 -2.261 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.156 -7.993 -3.335 1.00 0.00 C ATOM 530 C ARG 1 56 -10.575 -6.658 -2.882 1.00 0.00 C ATOM 531 O ARG 1 56 -9.856 -5.998 -3.631 1.00 0.00 O ATOM 532 CB ARG 1 56 -12.597 -7.803 -3.814 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.606 -7.636 -2.687 1.00 0.00 C ATOM 534 CD ARG 1 56 -14.633 -8.758 -2.682 1.00 0.00 C ATOM 535 NE ARG 1 56 -14.005 -10.077 -2.736 1.00 0.00 N ATOM 536 CZ ARG 1 56 -14.623 -11.206 -2.396 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -15.882 -11.182 -1.977 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -13.980 -12.363 -2.475 1.00 0.00 N ATOM 0 H ARG 1 56 -11.976 -9.122 -1.768 1.00 0.00 H new ATOM 0 HA ARG 1 56 -10.557 -8.367 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -12.642 -6.927 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -12.884 -8.662 -4.421 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -13.084 -7.616 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -14.114 -6.678 -2.792 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -15.245 -8.685 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -15.302 -8.640 -3.534 1.00 0.00 H new ATOM 0 HE ARG 1 56 -13.037 -10.136 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -16.382 -10.295 -1.914 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -16.350 -12.051 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -13.012 -12.388 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -14.453 -13.228 -2.215 1.00 0.00 H new ATOM 552 N PHE 1 57 -10.877 -6.272 -1.646 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.367 -5.024 -1.092 1.00 0.00 C ATOM 554 C PHE 1 57 -8.850 -5.078 -1.045 1.00 0.00 C ATOM 555 O PHE 1 57 -8.163 -4.140 -1.451 1.00 0.00 O ATOM 556 CB PHE 1 57 -10.929 -4.806 0.314 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.549 -3.490 0.934 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.230 -3.213 1.258 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.516 -2.533 1.198 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.883 -2.006 1.832 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -11.175 -1.323 1.773 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.855 -1.060 2.090 1.00 0.00 C ATOM 0 H PHE 1 57 -11.471 -6.805 -1.011 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.679 -4.193 -1.724 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -12.016 -4.875 0.273 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.583 -5.613 0.960 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.465 -3.949 1.059 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.548 -2.735 0.952 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.852 -1.802 2.079 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.938 -0.585 1.974 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.585 -0.116 2.539 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.341 -6.199 -0.552 1.00 0.00 N ATOM 573 CA ARG 1 58 -6.910 -6.421 -0.446 1.00 0.00 C ATOM 574 C ARG 1 58 -6.231 -6.263 -1.805 1.00 0.00 C ATOM 575 O ARG 1 58 -5.153 -5.678 -1.907 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.659 -7.821 0.111 1.00 0.00 C ATOM 577 CG ARG 1 58 -5.727 -7.841 1.307 1.00 0.00 C ATOM 578 CD ARG 1 58 -5.119 -9.217 1.517 1.00 0.00 C ATOM 579 NE ARG 1 58 -4.275 -9.621 0.395 1.00 0.00 N ATOM 580 CZ ARG 1 58 -3.389 -10.612 0.453 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -3.229 -11.304 1.575 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -2.661 -10.914 -0.613 1.00 0.00 N ATOM 0 H ARG 1 58 -8.909 -6.977 -0.216 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.486 -5.677 0.228 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.612 -8.266 0.397 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.239 -8.446 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -4.932 -7.109 1.162 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -6.275 -7.544 2.201 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -4.528 -9.216 2.433 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -5.916 -9.948 1.653 1.00 0.00 H new ATOM 0 HE ARG 1 58 -4.371 -9.113 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -3.787 -11.077 2.398 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -2.548 -12.063 1.614 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -2.780 -10.387 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -1.982 -11.674 -0.568 1.00 0.00 H new ATOM 596 N ALA 1 59 -6.870 -6.791 -2.844 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.330 -6.709 -4.196 1.00 0.00 C ATOM 598 C ALA 1 59 -6.254 -5.262 -4.669 1.00 0.00 C ATOM 599 O ALA 1 59 -5.249 -4.837 -5.240 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.177 -7.536 -5.153 1.00 0.00 C ATOM 0 H ALA 1 59 -7.762 -7.280 -2.775 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.318 -7.113 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -6.763 -7.466 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.176 -8.578 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.199 -7.157 -5.154 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.321 -4.508 -4.426 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.376 -3.106 -4.824 1.00 0.00 C ATOM 608 C ARG 1 60 -6.204 -2.332 -4.231 1.00 0.00 C ATOM 609 O ARG 1 60 -5.522 -1.586 -4.933 1.00 0.00 O ATOM 610 CB ARG 1 60 -8.699 -2.479 -4.379 1.00 0.00 C ATOM 611 CG ARG 1 60 -9.697 -2.300 -5.511 1.00 0.00 C ATOM 612 CD ARG 1 60 -10.578 -3.528 -5.678 1.00 0.00 C ATOM 613 NE ARG 1 60 -10.184 -4.330 -6.835 1.00 0.00 N ATOM 614 CZ ARG 1 60 -10.973 -5.232 -7.414 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -12.196 -5.452 -6.948 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -10.537 -5.917 -8.463 1.00 0.00 N ATOM 0 H ARG 1 60 -8.160 -4.845 -3.955 1.00 0.00 H new ATOM 0 HA ARG 1 60 -7.310 -3.056 -5.911 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.146 -3.104 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -8.498 -1.508 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.320 -1.428 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -9.163 -2.105 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -10.523 -4.139 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -11.617 -3.217 -5.789 1.00 0.00 H new ATOM 0 HE ARG 1 60 -9.250 -4.190 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -12.536 -4.928 -6.142 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -12.796 -6.145 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -9.598 -5.752 -8.825 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -11.141 -6.609 -8.907 1.00 0.00 H new ATOM 630 N VAL 1 61 -5.970 -2.524 -2.938 1.00 0.00 N ATOM 631 CA VAL 1 61 -4.871 -1.849 -2.260 1.00 0.00 C ATOM 632 C VAL 1 61 -3.537 -2.315 -2.828 1.00 0.00 C ATOM 633 O VAL 1 61 -2.623 -1.517 -3.033 1.00 0.00 O ATOM 634 CB VAL 1 61 -4.884 -2.097 -0.736 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -4.107 -1.008 -0.012 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.310 -2.187 -0.208 1.00 0.00 C ATOM 0 H VAL 1 61 -6.524 -3.138 -2.341 1.00 0.00 H new ATOM 0 HA VAL 1 61 -5.001 -0.780 -2.431 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.397 -3.053 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -4.127 -1.199 1.061 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -3.074 -1.005 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.562 -0.039 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.289 -2.362 0.868 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.834 -1.254 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -6.829 -3.010 -0.700 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.441 -3.615 -3.096 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.227 -4.194 -3.657 1.00 0.00 C ATOM 648 C ASP 1 62 -1.917 -3.560 -5.007 1.00 0.00 C ATOM 649 O ASP 1 62 -0.789 -3.143 -5.270 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.385 -5.708 -3.818 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.216 -6.479 -3.238 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.074 -6.255 -3.691 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.444 -7.308 -2.332 1.00 0.00 O ATOM 0 H ASP 1 62 -4.191 -4.287 -2.933 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.401 -3.996 -2.974 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.305 -6.028 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -2.486 -5.949 -4.876 1.00 0.00 H new ATOM 658 N ASP 1 63 -2.935 -3.488 -5.855 1.00 0.00 N ATOM 659 CA ASP 1 63 -2.793 -2.902 -7.180 1.00 0.00 C ATOM 660 C ASP 1 63 -2.447 -1.423 -7.076 1.00 0.00 C ATOM 661 O ASP 1 63 -1.537 -0.938 -7.749 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.089 -3.080 -7.972 1.00 0.00 C ATOM 663 CG ASP 1 63 -3.887 -2.901 -9.463 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -3.958 -1.748 -9.938 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -3.657 -3.914 -10.157 1.00 0.00 O ATOM 0 H ASP 1 63 -3.873 -3.831 -5.646 1.00 0.00 H new ATOM 0 HA ASP 1 63 -1.983 -3.413 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -4.495 -4.073 -7.780 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -4.828 -2.360 -7.620 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.180 -0.712 -6.225 1.00 0.00 N ATOM 671 CA ALA 1 64 -2.953 0.715 -6.025 1.00 0.00 C ATOM 672 C ALA 1 64 -1.483 1.000 -5.738 1.00 0.00 C ATOM 673 O ALA 1 64 -0.861 1.831 -6.399 1.00 0.00 O ATOM 674 CB ALA 1 64 -3.826 1.236 -4.894 1.00 0.00 C ATOM 0 H ALA 1 64 -3.937 -1.101 -5.662 1.00 0.00 H new ATOM 0 HA ALA 1 64 -3.224 1.234 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -3.646 2.302 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -4.875 1.074 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -3.584 0.705 -3.973 1.00 0.00 H new ATOM 680 N ILE 1 65 -0.931 0.297 -4.754 1.00 0.00 N ATOM 681 CA ILE 1 65 0.468 0.466 -4.387 1.00 0.00 C ATOM 682 C ILE 1 65 1.373 0.220 -5.585 1.00 0.00 C ATOM 683 O ILE 1 65 2.153 1.082 -5.972 1.00 0.00 O ATOM 684 CB ILE 1 65 0.872 -0.497 -3.253 1.00 0.00 C ATOM 685 CG1 ILE 1 65 0.066 -0.194 -1.989 1.00 0.00 C ATOM 686 CG2 ILE 1 65 2.368 -0.401 -2.971 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -0.497 -1.428 -1.319 1.00 0.00 C ATOM 0 H ILE 1 65 -1.433 -0.395 -4.197 1.00 0.00 H new ATOM 0 HA ILE 1 65 0.586 1.493 -4.041 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.651 -1.516 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 0.703 0.335 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -0.754 0.477 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.632 -1.089 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.925 -0.663 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.618 0.617 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.056 -1.136 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.160 -1.947 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 0.319 -2.091 -1.033 1.00 0.00 H new ATOM 699 N ARG 1 66 1.264 -0.969 -6.158 1.00 0.00 N ATOM 700 CA ARG 1 66 2.074 -1.345 -7.307 1.00 0.00 C ATOM 701 C ARG 1 66 1.945 -0.326 -8.435 1.00 0.00 C ATOM 702 O ARG 1 66 2.918 -0.031 -9.122 1.00 0.00 O ATOM 703 CB ARG 1 66 1.656 -2.729 -7.802 1.00 0.00 C ATOM 704 CG ARG 1 66 2.568 -3.292 -8.877 1.00 0.00 C ATOM 705 CD ARG 1 66 2.294 -4.767 -9.123 1.00 0.00 C ATOM 706 NE ARG 1 66 2.629 -5.588 -7.962 1.00 0.00 N ATOM 707 CZ ARG 1 66 2.250 -6.855 -7.816 1.00 0.00 C ATOM 708 NH1 ARG 1 66 1.524 -7.450 -8.754 1.00 0.00 N ATOM 709 NH2 ARG 1 66 2.598 -7.529 -6.728 1.00 0.00 N ATOM 0 H ARG 1 66 0.619 -1.694 -5.844 1.00 0.00 H new ATOM 0 HA ARG 1 66 3.118 -1.369 -6.995 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 1.637 -3.417 -6.957 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 0.640 -2.674 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 2.427 -2.735 -9.803 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 3.608 -3.159 -8.580 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 1.242 -4.903 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 2.871 -5.104 -9.984 1.00 0.00 H new ATOM 0 HE ARG 1 66 3.186 -5.165 -7.220 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 1.254 -6.936 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 1.236 -8.422 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 3.156 -7.076 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 2.308 -8.500 -6.615 1.00 0.00 H new ATOM 723 N GLU 1 67 0.745 0.216 -8.618 1.00 0.00 N ATOM 724 CA GLU 1 67 0.520 1.209 -9.663 1.00 0.00 C ATOM 725 C GLU 1 67 1.362 2.445 -9.388 1.00 0.00 C ATOM 726 O GLU 1 67 2.217 2.816 -10.193 1.00 0.00 O ATOM 727 CB GLU 1 67 -0.961 1.583 -9.743 1.00 0.00 C ATOM 728 CG GLU 1 67 -1.768 0.679 -10.660 1.00 0.00 C ATOM 729 CD GLU 1 67 -1.400 0.853 -12.121 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -1.847 1.847 -12.731 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -0.666 -0.005 -12.655 1.00 0.00 O ATOM 0 H GLU 1 67 -0.079 -0.013 -8.062 1.00 0.00 H new ATOM 0 HA GLU 1 67 0.815 0.782 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -1.391 1.548 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -1.049 2.612 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -1.610 -0.360 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -2.830 0.889 -10.529 1.00 0.00 H new ATOM 738 N GLY 1 68 1.138 3.064 -8.234 1.00 0.00 N ATOM 739 CA GLY 1 68 1.914 4.231 -7.870 1.00 0.00 C ATOM 740 C GLY 1 68 3.378 3.876 -7.734 1.00 0.00 C ATOM 741 O GLY 1 68 4.255 4.618 -8.170 1.00 0.00 O ATOM 0 H GLY 1 68 0.437 2.780 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 1.791 5.006 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 1.545 4.641 -6.930 1.00 0.00 H new ATOM 745 N LEU 1 69 3.629 2.712 -7.144 1.00 0.00 N ATOM 746 CA LEU 1 69 4.982 2.210 -6.956 1.00 0.00 C ATOM 747 C LEU 1 69 5.632 1.953 -8.307 1.00 0.00 C ATOM 748 O LEU 1 69 6.839 2.125 -8.475 1.00 0.00 O ATOM 749 CB LEU 1 69 4.953 0.916 -6.118 1.00 0.00 C ATOM 750 CG LEU 1 69 4.734 1.099 -4.605 1.00 0.00 C ATOM 751 CD1 LEU 1 69 5.296 -0.091 -3.846 1.00 0.00 C ATOM 752 CD2 LEU 1 69 5.373 2.389 -4.102 1.00 0.00 C ATOM 0 H LEU 1 69 2.902 2.093 -6.785 1.00 0.00 H new ATOM 0 HA LEU 1 69 5.569 2.957 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 4.162 0.273 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 5.895 0.388 -6.268 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.660 1.164 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 5.135 0.050 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.792 -1.001 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 6.364 -0.177 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 5.200 2.487 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 6.445 2.363 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 4.931 3.240 -4.620 1.00 0.00 H new ATOM 764 N LYS 1 70 4.814 1.554 -9.271 1.00 0.00 N ATOM 765 CA LYS 1 70 5.289 1.280 -10.617 1.00 0.00 C ATOM 766 C LYS 1 70 5.725 2.570 -11.309 1.00 0.00 C ATOM 767 O LYS 1 70 6.494 2.542 -12.270 1.00 0.00 O ATOM 768 CB LYS 1 70 4.191 0.589 -11.432 1.00 0.00 C ATOM 769 CG LYS 1 70 4.511 0.454 -12.913 1.00 0.00 C ATOM 770 CD LYS 1 70 3.492 -0.417 -13.627 1.00 0.00 C ATOM 771 CE LYS 1 70 3.966 -1.857 -13.731 1.00 0.00 C ATOM 772 NZ LYS 1 70 3.319 -2.575 -14.864 1.00 0.00 N ATOM 0 H LYS 1 70 3.812 1.413 -9.143 1.00 0.00 H new ATOM 0 HA LYS 1 70 6.152 0.617 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 4.015 -0.403 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 3.263 1.150 -11.321 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 4.532 1.442 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 5.506 0.025 -13.033 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 2.543 -0.383 -13.091 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 3.308 -0.020 -14.625 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 5.048 -1.874 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 3.748 -2.379 -12.799 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 3.669 -3.554 -14.900 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 2.288 -2.581 -14.728 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 3.547 -2.092 -15.757 1.00 0.00 H new ATOM 786 N ALA 1 71 5.213 3.697 -10.823 1.00 0.00 N ATOM 787 CA ALA 1 71 5.532 4.997 -11.403 1.00 0.00 C ATOM 788 C ALA 1 71 6.629 5.735 -10.633 1.00 0.00 C ATOM 789 O ALA 1 71 7.054 6.816 -11.043 1.00 0.00 O ATOM 790 CB ALA 1 71 4.275 5.850 -11.476 1.00 0.00 C ATOM 0 H ALA 1 71 4.575 3.736 -10.028 1.00 0.00 H new ATOM 0 HA ALA 1 71 5.918 4.818 -12.406 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 4.518 6.820 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 3.532 5.350 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 3.873 5.992 -10.473 1.00 0.00 H new ATOM 796 N LEU 1 72 7.081 5.170 -9.516 1.00 0.00 N ATOM 797 CA LEU 1 72 8.117 5.817 -8.711 1.00 0.00 C ATOM 798 C LEU 1 72 9.449 5.080 -8.785 1.00 0.00 C ATOM 799 O LEU 1 72 10.383 5.406 -8.053 1.00 0.00 O ATOM 800 CB LEU 1 72 7.662 5.927 -7.260 1.00 0.00 C ATOM 801 CG LEU 1 72 6.216 6.379 -7.092 1.00 0.00 C ATOM 802 CD1 LEU 1 72 5.540 5.605 -5.975 1.00 0.00 C ATOM 803 CD2 LEU 1 72 6.148 7.876 -6.828 1.00 0.00 C ATOM 0 H LEU 1 72 6.752 4.277 -9.150 1.00 0.00 H new ATOM 0 HA LEU 1 72 8.272 6.814 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 7.786 4.958 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 8.313 6.629 -6.739 1.00 0.00 H new ATOM 0 HG LEU 1 72 5.683 6.173 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 4.509 5.942 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 5.552 4.541 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 6.073 5.775 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 5.107 8.178 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 6.698 8.110 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 6.590 8.414 -7.667 1.00 0.00 H new ATOM 815 N GLY 1 73 9.545 4.103 -9.679 1.00 0.00 N ATOM 816 CA GLY 1 73 10.789 3.364 -9.824 1.00 0.00 C ATOM 817 C GLY 1 73 10.639 1.862 -9.681 1.00 0.00 C ATOM 818 O GLY 1 73 11.629 1.135 -9.750 1.00 0.00 O ATOM 0 H GLY 1 73 8.792 3.810 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 11.217 3.584 -10.802 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 11.499 3.720 -9.078 1.00 0.00 H new ATOM 822 N TYR 1 74 9.416 1.382 -9.484 1.00 0.00 N ATOM 823 CA TYR 1 74 9.192 -0.048 -9.338 1.00 0.00 C ATOM 824 C TYR 1 74 8.325 -0.590 -10.466 1.00 0.00 C ATOM 825 O TYR 1 74 7.793 0.171 -11.272 1.00 0.00 O ATOM 826 CB TYR 1 74 8.562 -0.341 -7.980 1.00 0.00 C ATOM 827 CG TYR 1 74 9.517 -0.089 -6.837 1.00 0.00 C ATOM 828 CD1 TYR 1 74 10.803 -0.610 -6.863 1.00 0.00 C ATOM 829 CD2 TYR 1 74 9.145 0.684 -5.748 1.00 0.00 C ATOM 830 CE1 TYR 1 74 11.692 -0.368 -5.834 1.00 0.00 C ATOM 831 CE2 TYR 1 74 10.028 0.929 -4.713 1.00 0.00 C ATOM 832 CZ TYR 1 74 11.300 0.403 -4.762 1.00 0.00 C ATOM 833 OH TYR 1 74 12.183 0.647 -3.735 1.00 0.00 O ATOM 0 H TYR 1 74 8.575 1.956 -9.423 1.00 0.00 H new ATOM 0 HA TYR 1 74 10.156 -0.554 -9.395 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 7.675 0.279 -7.852 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 8.232 -1.379 -7.952 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 11.114 -1.215 -7.702 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 8.150 1.101 -5.708 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 12.689 -0.781 -5.870 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 9.722 1.530 -3.870 1.00 0.00 H new ATOM 0 HH TYR 1 74 11.750 1.208 -3.058 1.00 0.00 H new ATOM 843 N TYR 1 75 8.205 -1.911 -10.531 1.00 0.00 N ATOM 844 CA TYR 1 75 7.411 -2.553 -11.568 1.00 0.00 C ATOM 845 C TYR 1 75 6.301 -3.398 -10.955 1.00 0.00 C ATOM 846 O TYR 1 75 5.138 -3.281 -11.340 1.00 0.00 O ATOM 847 CB TYR 1 75 8.301 -3.419 -12.456 1.00 0.00 C ATOM 848 CG TYR 1 75 8.949 -2.650 -13.583 1.00 0.00 C ATOM 849 CD1 TYR 1 75 8.184 -2.101 -14.604 1.00 0.00 C ATOM 850 CD2 TYR 1 75 10.325 -2.471 -13.623 1.00 0.00 C ATOM 851 CE1 TYR 1 75 8.773 -1.397 -15.636 1.00 0.00 C ATOM 852 CE2 TYR 1 75 10.922 -1.767 -14.651 1.00 0.00 C ATOM 853 CZ TYR 1 75 10.142 -1.232 -15.655 1.00 0.00 C ATOM 854 OH TYR 1 75 10.733 -0.530 -16.681 1.00 0.00 O ATOM 0 H TYR 1 75 8.648 -2.557 -9.877 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.953 -1.774 -12.178 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 9.078 -3.877 -11.844 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 7.706 -4.230 -12.874 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 7.111 -2.227 -14.591 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 10.938 -2.889 -12.838 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 8.165 -0.978 -16.424 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 11.994 -1.636 -14.668 1.00 0.00 H new ATOM 0 HH TYR 1 75 11.703 -0.505 -16.544 1.00 0.00 H new ATOM 864 N GLN 1 76 6.662 -4.244 -9.996 1.00 0.00 N ATOM 865 CA GLN 1 76 5.682 -5.095 -9.336 1.00 0.00 C ATOM 866 C GLN 1 76 6.122 -5.463 -7.918 1.00 0.00 C ATOM 867 O GLN 1 76 6.180 -6.642 -7.565 1.00 0.00 O ATOM 868 CB GLN 1 76 5.450 -6.366 -10.156 1.00 0.00 C ATOM 869 CG GLN 1 76 4.999 -6.095 -11.582 1.00 0.00 C ATOM 870 CD GLN 1 76 4.449 -7.332 -12.264 1.00 0.00 C ATOM 871 OE1 GLN 1 76 5.191 -8.100 -12.876 1.00 0.00 O ATOM 872 NE2 GLN 1 76 3.140 -7.531 -12.163 1.00 0.00 N ATOM 0 H GLN 1 76 7.619 -4.358 -9.661 1.00 0.00 H new ATOM 0 HA GLN 1 76 4.750 -4.534 -9.264 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 6.372 -6.947 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 4.700 -6.979 -9.657 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 4.235 -5.318 -11.576 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 5.840 -5.710 -12.158 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 2.562 -6.869 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 2.713 -8.346 -12.603 1.00 0.00 H new ATOM 881 N PRO 1 77 6.429 -4.458 -7.076 1.00 0.00 N ATOM 882 CA PRO 1 77 6.850 -4.693 -5.692 1.00 0.00 C ATOM 883 C PRO 1 77 5.931 -5.660 -4.962 1.00 0.00 C ATOM 884 O PRO 1 77 4.713 -5.482 -4.958 1.00 0.00 O ATOM 885 CB PRO 1 77 6.749 -3.307 -5.055 1.00 0.00 C ATOM 886 CG PRO 1 77 6.975 -2.361 -6.175 1.00 0.00 C ATOM 887 CD PRO 1 77 6.390 -3.017 -7.401 1.00 0.00 C ATOM 0 HA PRO 1 77 7.843 -5.140 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.772 -3.152 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 7.494 -3.177 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 6.494 -1.403 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 8.038 -2.163 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 5.372 -2.676 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 6.974 -2.791 -8.294 1.00 0.00 H new ATOM 895 N THR 1 78 6.511 -6.672 -4.325 1.00 0.00 N ATOM 896 CA THR 1 78 5.710 -7.630 -3.580 1.00 0.00 C ATOM 897 C THR 1 78 5.015 -6.909 -2.436 1.00 0.00 C ATOM 898 O THR 1 78 5.639 -6.578 -1.429 1.00 0.00 O ATOM 899 CB THR 1 78 6.587 -8.762 -3.040 1.00 0.00 C ATOM 900 OG1 THR 1 78 7.607 -9.091 -3.965 1.00 0.00 O ATOM 901 CG2 THR 1 78 5.813 -10.027 -2.741 1.00 0.00 C ATOM 0 H THR 1 78 7.516 -6.847 -4.310 1.00 0.00 H new ATOM 0 HA THR 1 78 4.965 -8.070 -4.243 1.00 0.00 H new ATOM 0 HB THR 1 78 7.007 -8.383 -2.108 1.00 0.00 H new ATOM 0 HG1 THR 1 78 8.390 -8.525 -3.803 1.00 0.00 H new ATOM 0 HG21 THR 1 78 6.494 -10.789 -2.362 1.00 0.00 H new ATOM 0 HG22 THR 1 78 5.049 -9.818 -1.992 1.00 0.00 H new ATOM 0 HG23 THR 1 78 5.338 -10.387 -3.653 1.00 0.00 H new ATOM 909 N ILE 1 79 3.726 -6.644 -2.609 1.00 0.00 N ATOM 910 CA ILE 1 79 2.959 -5.932 -1.601 1.00 0.00 C ATOM 911 C ILE 1 79 1.890 -6.816 -0.971 1.00 0.00 C ATOM 912 O ILE 1 79 0.923 -7.207 -1.623 1.00 0.00 O ATOM 913 CB ILE 1 79 2.304 -4.670 -2.202 1.00 0.00 C ATOM 914 CG1 ILE 1 79 3.379 -3.770 -2.820 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.519 -3.914 -1.138 1.00 0.00 C ATOM 916 CD1 ILE 1 79 3.023 -3.234 -4.192 1.00 0.00 C ATOM 0 H ILE 1 79 3.193 -6.912 -3.437 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.658 -5.637 -0.819 1.00 0.00 H new ATOM 0 HB ILE 1 79 1.607 -4.974 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.564 -2.930 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 4.311 -4.331 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 1.065 -3.028 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.738 -4.559 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 2.191 -3.614 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.835 -2.607 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.868 -4.066 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 2.109 -2.643 -4.126 1.00 0.00 H new ATOM 928 N GLU 1 80 2.074 -7.116 0.309 1.00 0.00 N ATOM 929 CA GLU 1 80 1.131 -7.941 1.052 1.00 0.00 C ATOM 930 C GLU 1 80 0.374 -7.091 2.065 1.00 0.00 C ATOM 931 O GLU 1 80 0.625 -5.892 2.186 1.00 0.00 O ATOM 932 CB GLU 1 80 1.862 -9.080 1.764 1.00 0.00 C ATOM 933 CG GLU 1 80 2.225 -10.238 0.848 1.00 0.00 C ATOM 934 CD GLU 1 80 3.491 -10.949 1.282 1.00 0.00 C ATOM 935 OE1 GLU 1 80 4.585 -10.368 1.117 1.00 0.00 O ATOM 936 OE2 GLU 1 80 3.390 -12.087 1.787 1.00 0.00 O ATOM 0 H GLU 1 80 2.873 -6.797 0.857 1.00 0.00 H new ATOM 0 HA GLU 1 80 0.418 -8.371 0.349 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 2.772 -8.688 2.218 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 1.235 -9.452 2.575 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 1.401 -10.951 0.826 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 2.352 -9.866 -0.169 1.00 0.00 H new ATOM 943 N PHE 1 81 -0.551 -7.708 2.790 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.332 -6.982 3.784 1.00 0.00 C ATOM 945 C PHE 1 81 -1.630 -7.845 5.005 1.00 0.00 C ATOM 946 O PHE 1 81 -1.842 -9.052 4.892 1.00 0.00 O ATOM 947 CB PHE 1 81 -2.644 -6.488 3.172 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.458 -5.630 1.954 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -2.024 -4.319 2.073 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -2.722 -6.133 0.692 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -1.856 -3.527 0.953 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.557 -5.346 -0.431 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.123 -4.041 -0.300 1.00 0.00 C ATOM 0 H PHE 1 81 -0.777 -8.699 2.710 1.00 0.00 H new ATOM 0 HA PHE 1 81 -0.736 -6.129 4.108 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.258 -7.349 2.908 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -3.194 -5.922 3.923 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -1.815 -3.912 3.051 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -3.061 -7.153 0.584 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.516 -2.507 1.058 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -2.767 -5.750 -1.410 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -1.993 -3.424 -1.177 1.00 0.00 H new ATOM 963 N ASP 1 82 -1.660 -7.206 6.170 1.00 0.00 N ATOM 964 CA ASP 1 82 -1.950 -7.897 7.420 1.00 0.00 C ATOM 965 C ASP 1 82 -3.179 -7.285 8.082 1.00 0.00 C ATOM 966 O ASP 1 82 -3.082 -6.286 8.795 1.00 0.00 O ATOM 967 CB ASP 1 82 -0.750 -7.820 8.365 1.00 0.00 C ATOM 968 CG ASP 1 82 -0.981 -8.579 9.657 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -1.394 -9.756 9.588 1.00 0.00 O ATOM 970 OD2 ASP 1 82 -0.750 -7.997 10.738 1.00 0.00 O ATOM 0 H ASP 1 82 -1.486 -6.206 6.274 1.00 0.00 H new ATOM 0 HA ASP 1 82 -2.151 -8.945 7.200 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 0.130 -8.222 7.863 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -0.538 -6.776 8.594 1.00 0.00 H new ATOM 975 N LEU 1 83 -4.336 -7.880 7.822 1.00 0.00 N ATOM 976 CA LEU 1 83 -5.593 -7.392 8.369 1.00 0.00 C ATOM 977 C LEU 1 83 -5.799 -7.850 9.810 1.00 0.00 C ATOM 978 O LEU 1 83 -5.682 -9.035 10.122 1.00 0.00 O ATOM 979 CB LEU 1 83 -6.746 -7.887 7.495 1.00 0.00 C ATOM 980 CG LEU 1 83 -8.067 -7.117 7.604 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -7.831 -5.630 7.844 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -8.884 -7.330 6.341 1.00 0.00 C ATOM 0 H LEU 1 83 -4.429 -8.707 7.232 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.564 -6.302 8.373 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -6.421 -7.861 6.455 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -6.938 -8.931 7.743 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.619 -7.500 8.462 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -8.790 -5.116 7.916 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -7.276 -5.495 8.773 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -7.258 -5.214 7.015 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -9.823 -6.782 6.419 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -8.323 -6.968 5.479 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -9.093 -8.393 6.218 1.00 0.00 H new ATOM 994 N ARG 1 84 -6.130 -6.900 10.680 1.00 0.00 N ATOM 995 CA ARG 1 84 -6.382 -7.193 12.083 1.00 0.00 C ATOM 996 C ARG 1 84 -7.677 -6.522 12.526 1.00 0.00 C ATOM 997 O ARG 1 84 -7.675 -5.374 12.975 1.00 0.00 O ATOM 998 CB ARG 1 84 -5.221 -6.743 12.986 1.00 0.00 C ATOM 999 CG ARG 1 84 -4.133 -5.951 12.287 1.00 0.00 C ATOM 1000 CD ARG 1 84 -2.932 -6.821 11.969 1.00 0.00 C ATOM 1001 NE ARG 1 84 -1.706 -6.306 12.574 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -1.358 -6.514 13.842 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -2.140 -7.224 14.645 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 -0.224 -6.010 14.308 1.00 0.00 N ATOM 0 H ARG 1 84 -6.230 -5.915 10.433 1.00 0.00 H new ATOM 0 HA ARG 1 84 -6.473 -8.275 12.183 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -5.626 -6.138 13.797 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -4.771 -7.626 13.441 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -4.528 -5.522 11.366 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -3.824 -5.118 12.919 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -3.114 -7.835 12.326 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -2.805 -6.882 10.888 1.00 0.00 H new ATOM 0 HE ARG 1 84 -1.079 -5.754 11.989 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -3.014 -7.614 14.292 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -1.867 -7.380 15.616 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 0.381 -5.463 13.695 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 0.044 -6.169 15.279 1.00 0.00 H new ATOM 1018 N PRO 1 85 -8.807 -7.235 12.394 1.00 0.00 N ATOM 1019 CA PRO 1 85 -10.125 -6.719 12.772 1.00 0.00 C ATOM 1020 C PRO 1 85 -10.164 -6.061 14.155 1.00 0.00 C ATOM 1021 O PRO 1 85 -10.932 -5.124 14.364 1.00 0.00 O ATOM 1022 CB PRO 1 85 -11.005 -7.969 12.759 1.00 0.00 C ATOM 1023 CG PRO 1 85 -10.368 -8.862 11.754 1.00 0.00 C ATOM 1024 CD PRO 1 85 -8.889 -8.608 11.854 1.00 0.00 C ATOM 0 HA PRO 1 85 -10.444 -5.928 12.093 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -11.041 -8.439 13.742 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -12.032 -7.729 12.483 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -10.599 -9.907 11.958 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -10.734 -8.645 10.751 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -8.402 -9.327 12.513 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -8.402 -8.686 10.882 1.00 0.00 H new ATOM 1032 N PRO 1 86 -9.375 -6.553 15.133 1.00 0.00 N ATOM 1033 CA PRO 1 86 -9.368 -6.021 16.486 1.00 0.00 C ATOM 1034 C PRO 1 86 -8.192 -5.083 16.776 1.00 0.00 C ATOM 1035 O PRO 1 86 -7.264 -5.451 17.498 1.00 0.00 O ATOM 1036 CB PRO 1 86 -9.240 -7.301 17.314 1.00 0.00 C ATOM 1037 CG PRO 1 86 -8.501 -8.276 16.436 1.00 0.00 C ATOM 1038 CD PRO 1 86 -8.458 -7.692 15.040 1.00 0.00 C ATOM 0 HA PRO 1 86 -10.246 -5.409 16.693 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -8.696 -7.116 18.240 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -10.220 -7.688 17.592 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -7.492 -8.442 16.813 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -9.003 -9.244 16.431 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -7.451 -7.379 14.764 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -8.784 -8.413 14.290 1.00 0.00 H new ATOM 1046 N PRO 1 87 -8.214 -3.850 16.235 1.00 0.00 N ATOM 1047 CA PRO 1 87 -7.147 -2.869 16.466 1.00 0.00 C ATOM 1048 C PRO 1 87 -7.036 -2.474 17.931 1.00 0.00 C ATOM 1049 O PRO 1 87 -7.820 -2.918 18.769 1.00 0.00 O ATOM 1050 CB PRO 1 87 -7.574 -1.656 15.639 1.00 0.00 C ATOM 1051 CG PRO 1 87 -9.039 -1.821 15.460 1.00 0.00 C ATOM 1052 CD PRO 1 87 -9.275 -3.302 15.373 1.00 0.00 C ATOM 0 HA PRO 1 87 -6.172 -3.271 16.190 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -7.340 -0.724 16.153 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -7.058 -1.629 14.679 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -9.587 -1.386 16.296 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -9.382 -1.316 14.557 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -10.268 -3.575 15.730 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -9.193 -3.666 14.349 1.00 0.00 H new ATOM 1060 N LYS 1 88 -6.059 -1.629 18.227 1.00 0.00 N ATOM 1061 CA LYS 1 88 -5.843 -1.160 19.589 1.00 0.00 C ATOM 1062 C LYS 1 88 -6.510 0.192 19.825 1.00 0.00 C ATOM 1063 O LYS 1 88 -6.992 0.470 20.923 1.00 0.00 O ATOM 1064 CB LYS 1 88 -4.352 -1.061 19.903 1.00 0.00 C ATOM 1065 CG LYS 1 88 -3.540 -0.333 18.849 1.00 0.00 C ATOM 1066 CD LYS 1 88 -3.350 1.138 19.189 1.00 0.00 C ATOM 1067 CE LYS 1 88 -2.671 1.323 20.538 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -3.626 1.787 21.582 1.00 0.00 N ATOM 0 H LYS 1 88 -5.403 -1.254 17.542 1.00 0.00 H new ATOM 0 HA LYS 1 88 -6.298 -1.891 20.257 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -4.227 -0.551 20.858 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -3.950 -2.067 20.024 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -2.565 -0.810 18.749 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -4.038 -0.420 17.884 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -2.753 1.616 18.413 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -4.319 1.637 19.198 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 -2.222 0.380 20.850 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -1.861 2.046 20.440 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 -3.341 1.406 22.507 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -3.622 2.826 21.619 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -4.583 1.453 21.350 1.00 0.00 H new ATOM 1082 N LYS 1 89 -6.521 1.036 18.797 1.00 0.00 N ATOM 1083 CA LYS 1 89 -7.116 2.365 18.912 1.00 0.00 C ATOM 1084 C LYS 1 89 -8.073 2.659 17.766 1.00 0.00 C ATOM 1085 O LYS 1 89 -8.204 3.804 17.334 1.00 0.00 O ATOM 1086 CB LYS 1 89 -6.018 3.430 18.981 1.00 0.00 C ATOM 1087 CG LYS 1 89 -6.519 4.814 19.366 1.00 0.00 C ATOM 1088 CD LYS 1 89 -7.028 4.845 20.798 1.00 0.00 C ATOM 1089 CE LYS 1 89 -8.282 5.694 20.926 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -9.316 5.312 19.924 1.00 0.00 N ATOM 0 H LYS 1 89 -6.127 0.826 17.880 1.00 0.00 H new ATOM 0 HA LYS 1 89 -7.697 2.390 19.834 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -5.265 3.114 19.703 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -5.524 3.491 18.011 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.713 5.539 19.250 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -7.318 5.114 18.688 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -7.240 3.829 21.132 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.251 5.240 21.453 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -8.692 5.586 21.930 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -8.023 6.745 20.798 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -10.261 5.529 20.300 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -9.162 5.847 19.045 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -9.248 4.293 19.726 1.00 0.00 H new ATOM 1104 N GLY 1 90 -8.739 1.629 17.267 1.00 0.00 N ATOM 1105 CA GLY 1 90 -9.663 1.832 16.174 1.00 0.00 C ATOM 1106 C GLY 1 90 -10.698 0.730 16.055 1.00 0.00 C ATOM 1107 O GLY 1 90 -11.025 0.065 17.038 1.00 0.00 O ATOM 0 H GLY 1 90 -8.657 0.667 17.595 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -10.172 2.786 16.309 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -9.103 1.898 15.241 1.00 0.00 H new ATOM 1111 N ARG 1 91 -11.214 0.538 14.844 1.00 0.00 N ATOM 1112 CA ARG 1 91 -12.217 -0.490 14.591 1.00 0.00 C ATOM 1113 C ARG 1 91 -11.599 -1.670 13.847 1.00 0.00 C ATOM 1114 O ARG 1 91 -11.759 -2.822 14.247 1.00 0.00 O ATOM 1115 CB ARG 1 91 -13.379 0.088 13.781 1.00 0.00 C ATOM 1116 CG ARG 1 91 -14.212 1.100 14.551 1.00 0.00 C ATOM 1117 CD ARG 1 91 -14.841 0.478 15.788 1.00 0.00 C ATOM 1118 NE ARG 1 91 -16.049 1.188 16.203 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -17.236 1.033 15.623 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -17.381 0.196 14.603 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -18.283 1.717 16.064 1.00 0.00 N ATOM 0 H ARG 1 91 -10.953 1.082 14.022 1.00 0.00 H new ATOM 0 HA ARG 1 91 -12.596 -0.842 15.551 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -12.984 0.563 12.883 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -14.024 -0.727 13.454 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -13.584 1.941 14.845 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -14.994 1.497 13.904 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -15.085 -0.565 15.585 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -14.119 0.484 16.604 1.00 0.00 H new ATOM 0 HE ARG 1 91 -15.978 1.841 16.983 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -16.579 -0.333 14.259 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -18.294 0.082 14.163 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -18.178 2.362 16.848 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -19.193 1.599 15.620 1.00 0.00 H new ATOM 1135 N GLN 1 92 -10.884 -1.368 12.767 1.00 0.00 N ATOM 1136 CA GLN 1 92 -10.226 -2.396 11.966 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.929 -1.858 11.366 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.930 -0.822 10.701 1.00 0.00 O ATOM 1139 CB GLN 1 92 -11.155 -2.878 10.850 1.00 0.00 C ATOM 1140 CG GLN 1 92 -12.053 -4.033 11.259 1.00 0.00 C ATOM 1141 CD GLN 1 92 -12.177 -5.089 10.177 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -13.273 -5.373 9.695 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -11.050 -5.677 9.789 1.00 0.00 N ATOM 0 H GLN 1 92 -10.745 -0.417 12.426 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.989 -3.238 12.617 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -11.776 -2.045 10.522 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -10.553 -3.183 9.994 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -11.658 -4.492 12.165 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -13.044 -3.649 11.502 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -10.163 -5.411 10.216 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -11.072 -6.395 9.064 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.822 -2.558 11.604 1.00 0.00 N ATOM 1153 CA VAL 1 93 -6.530 -2.133 11.085 1.00 0.00 C ATOM 1154 C VAL 1 93 -6.054 -3.036 9.954 1.00 0.00 C ATOM 1155 O VAL 1 93 -6.235 -4.252 9.991 1.00 0.00 O ATOM 1156 CB VAL 1 93 -5.458 -2.126 12.183 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -5.521 -0.841 12.994 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -5.602 -3.346 13.075 1.00 0.00 C ATOM 0 H VAL 1 93 -7.796 -3.418 12.151 1.00 0.00 H new ATOM 0 HA VAL 1 93 -6.672 -1.121 10.706 1.00 0.00 H new ATOM 0 HB VAL 1 93 -4.478 -2.169 11.707 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -4.752 -0.860 13.766 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -5.355 0.013 12.337 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -6.502 -0.753 13.461 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -4.834 -3.324 13.848 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -6.587 -3.341 13.542 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -5.489 -4.250 12.476 1.00 0.00 H new ATOM 1168 N LEU 1 94 -5.432 -2.423 8.956 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.906 -3.151 7.807 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.511 -2.647 7.446 1.00 0.00 C ATOM 1171 O LEU 1 94 -3.336 -1.483 7.088 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.850 -3.007 6.608 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.434 -3.759 5.337 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -4.556 -2.881 4.460 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.718 -5.061 5.679 1.00 0.00 C ATOM 0 H LEU 1 94 -5.278 -1.415 8.919 1.00 0.00 H new ATOM 0 HA LEU 1 94 -4.834 -4.206 8.071 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.840 -3.354 6.905 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.942 -1.948 6.367 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.339 -4.008 4.782 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -4.271 -3.432 3.563 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -5.107 -1.984 4.176 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -3.660 -2.597 5.011 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.435 -5.573 4.759 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.824 -4.842 6.263 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -5.383 -5.700 6.260 1.00 0.00 H new ATOM 1187 N ILE 1 95 -2.521 -3.527 7.549 1.00 0.00 N ATOM 1188 CA ILE 1 95 -1.141 -3.166 7.239 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.799 -3.478 5.787 1.00 0.00 C ATOM 1190 O ILE 1 95 -1.388 -4.371 5.180 1.00 0.00 O ATOM 1191 CB ILE 1 95 -0.147 -3.904 8.157 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 -0.535 -3.715 9.624 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.272 -3.410 7.911 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 0.378 -4.441 10.588 1.00 0.00 C ATOM 0 H ILE 1 95 -2.648 -4.495 7.845 1.00 0.00 H new ATOM 0 HA ILE 1 95 -1.053 -2.092 7.406 1.00 0.00 H new ATOM 0 HB ILE 1 95 -0.185 -4.968 7.925 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 -0.527 -2.651 9.860 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -1.557 -4.066 9.770 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 1.961 -3.941 8.567 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 1.546 -3.593 6.872 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.326 -2.341 8.117 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 0.044 -4.263 11.610 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 0.351 -5.510 10.379 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 1.397 -4.074 10.470 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.157 -2.735 5.235 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.580 -2.933 3.854 1.00 0.00 C ATOM 1208 C ALA 1 96 2.102 -2.922 3.737 1.00 0.00 C ATOM 1209 O ALA 1 96 2.735 -1.869 3.831 1.00 0.00 O ATOM 1210 CB ALA 1 96 -0.027 -1.866 2.956 1.00 0.00 C ATOM 0 H ALA 1 96 0.653 -1.990 5.725 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.224 -3.911 3.530 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.298 -2.027 1.928 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -1.114 -1.924 3.006 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.300 -0.881 3.289 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.684 -4.100 3.531 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.132 -4.226 3.399 1.00 0.00 C ATOM 1218 C LYS 1 97 4.522 -4.493 1.949 1.00 0.00 C ATOM 1219 O LYS 1 97 3.958 -5.371 1.299 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.652 -5.352 4.296 1.00 0.00 C ATOM 1221 CG LYS 1 97 4.097 -5.309 5.710 1.00 0.00 C ATOM 1222 CD LYS 1 97 4.159 -6.675 6.374 1.00 0.00 C ATOM 1223 CE LYS 1 97 2.889 -7.472 6.127 1.00 0.00 C ATOM 1224 NZ LYS 1 97 3.172 -8.922 5.936 1.00 0.00 N ATOM 0 H LYS 1 97 2.175 -4.981 3.452 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.585 -3.285 3.712 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.399 -6.311 3.844 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.740 -5.297 4.340 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 4.662 -4.589 6.302 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 3.064 -4.961 5.686 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 5.017 -7.228 5.992 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 4.311 -6.553 7.446 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 2.209 -7.343 6.969 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 2.381 -7.082 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 2.280 -9.431 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 3.800 -9.048 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 3.634 -9.301 6.788 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.487 -3.727 1.449 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.948 -3.877 0.073 1.00 0.00 C ATOM 1240 C VAL 1 98 7.427 -4.254 0.017 1.00 0.00 C ATOM 1241 O VAL 1 98 8.209 -3.865 0.885 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.728 -2.579 -0.730 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.504 -1.426 -0.110 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 6.120 -2.775 -2.188 1.00 0.00 C ATOM 0 H VAL 1 98 5.965 -2.996 1.976 1.00 0.00 H new ATOM 0 HA VAL 1 98 5.361 -4.681 -0.371 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.667 -2.331 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.335 -0.520 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.165 -1.269 0.914 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.568 -1.663 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.957 -1.847 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 7.173 -3.052 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 5.511 -3.567 -2.625 1.00 0.00 H new ATOM 1254 N THR 1 99 7.803 -5.010 -1.012 1.00 0.00 N ATOM 1255 CA THR 1 99 9.188 -5.435 -1.182 1.00 0.00 C ATOM 1256 C THR 1 99 9.487 -5.770 -2.643 1.00 0.00 C ATOM 1257 O THR 1 99 9.317 -6.911 -3.075 1.00 0.00 O ATOM 1258 CB THR 1 99 9.482 -6.649 -0.299 1.00 0.00 C ATOM 1259 OG1 THR 1 99 9.193 -6.364 1.058 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.922 -7.110 -0.375 1.00 0.00 C ATOM 0 H THR 1 99 7.168 -5.340 -1.739 1.00 0.00 H new ATOM 0 HA THR 1 99 9.832 -4.608 -0.882 1.00 0.00 H new ATOM 0 HB THR 1 99 8.842 -7.445 -0.680 1.00 0.00 H new ATOM 0 HG1 THR 1 99 9.115 -5.395 1.179 1.00 0.00 H new ATOM 0 HG21 THR 1 99 11.062 -7.974 0.275 1.00 0.00 H new ATOM 0 HG22 THR 1 99 11.162 -7.385 -1.402 1.00 0.00 H new ATOM 0 HG23 THR 1 99 11.580 -6.303 -0.053 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.935 -4.773 -3.429 1.00 0.00 N ATOM 1269 CA PRO 1 100 10.256 -4.956 -4.837 1.00 0.00 C ATOM 1270 C PRO 1 100 11.705 -5.398 -5.059 1.00 0.00 C ATOM 1271 O PRO 1 100 11.981 -6.592 -5.179 1.00 0.00 O ATOM 1272 CB PRO 1 100 10.007 -3.573 -5.437 1.00 0.00 C ATOM 1273 CG PRO 1 100 10.017 -2.602 -4.290 1.00 0.00 C ATOM 1274 CD PRO 1 100 10.158 -3.389 -3.009 1.00 0.00 C ATOM 0 HA PRO 1 100 9.658 -5.745 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 10.778 -3.321 -6.165 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 9.052 -3.544 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.841 -1.897 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 9.097 -2.018 -4.278 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 11.145 -3.259 -2.565 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.429 -3.074 -2.263 1.00 0.00 H new ATOM 1282 N GLY 1 101 12.630 -4.437 -5.115 1.00 0.00 N ATOM 1283 CA GLY 1 101 14.026 -4.774 -5.324 1.00 0.00 C ATOM 1284 C GLY 1 101 14.858 -3.596 -5.800 1.00 0.00 C ATOM 1285 O GLY 1 101 15.753 -3.136 -5.090 1.00 0.00 O ATOM 0 H GLY 1 101 12.436 -3.440 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 14.445 -5.155 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 14.094 -5.579 -6.056 1.00 0.00 H new ATOM 1289 N VAL 1 102 14.574 -3.113 -7.008 1.00 0.00 N ATOM 1290 CA VAL 1 102 15.318 -1.992 -7.575 1.00 0.00 C ATOM 1291 C VAL 1 102 14.430 -0.766 -7.776 1.00 0.00 C ATOM 1292 O VAL 1 102 13.235 -0.890 -8.035 1.00 0.00 O ATOM 1293 CB VAL 1 102 15.961 -2.375 -8.925 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 14.928 -2.362 -10.048 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 17.120 -1.444 -9.247 1.00 0.00 C ATOM 0 H VAL 1 102 13.837 -3.479 -7.610 1.00 0.00 H new ATOM 0 HA VAL 1 102 16.101 -1.745 -6.858 1.00 0.00 H new ATOM 0 HB VAL 1 102 16.349 -3.390 -8.840 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 15.408 -2.635 -10.987 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 14.137 -3.078 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 14.500 -1.364 -10.137 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 17.561 -1.729 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 16.757 -0.418 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 17.874 -1.517 -8.463 1.00 0.00 H new ATOM 1305 N LEU 1 103 15.030 0.415 -7.671 1.00 0.00 N ATOM 1306 CA LEU 1 103 14.299 1.663 -7.855 1.00 0.00 C ATOM 1307 C LEU 1 103 15.144 2.679 -8.617 1.00 0.00 C ATOM 1308 O LEU 1 103 16.335 2.837 -8.348 1.00 0.00 O ATOM 1309 CB LEU 1 103 13.881 2.244 -6.504 1.00 0.00 C ATOM 1310 CG LEU 1 103 12.906 3.420 -6.584 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 11.474 2.937 -6.423 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.239 4.466 -5.531 1.00 0.00 C ATOM 0 H LEU 1 103 16.021 0.534 -7.459 1.00 0.00 H new ATOM 0 HA LEU 1 103 13.405 1.446 -8.439 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 13.425 1.452 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 14.775 2.568 -5.971 1.00 0.00 H new ATOM 0 HG LEU 1 103 13.005 3.881 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 10.794 3.787 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 11.238 2.227 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 11.361 2.449 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 12.534 5.294 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 13.171 4.019 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.251 4.836 -5.693 1.00 0.00 H new ATOM 1324 N GLU 1 104 14.520 3.366 -9.568 1.00 0.00 N ATOM 1325 CA GLU 1 104 15.216 4.366 -10.369 1.00 0.00 C ATOM 1326 C GLU 1 104 14.941 5.771 -9.843 1.00 0.00 C ATOM 1327 O GLU 1 104 13.828 6.283 -9.962 1.00 0.00 O ATOM 1328 CB GLU 1 104 14.790 4.265 -11.834 1.00 0.00 C ATOM 1329 CG GLU 1 104 13.285 4.186 -12.026 1.00 0.00 C ATOM 1330 CD GLU 1 104 12.837 4.749 -13.361 1.00 0.00 C ATOM 1331 OE1 GLU 1 104 13.416 5.765 -13.801 1.00 0.00 O ATOM 1332 OE2 GLU 1 104 11.907 4.175 -13.966 1.00 0.00 O ATOM 0 H GLU 1 104 13.534 3.249 -9.803 1.00 0.00 H new ATOM 0 HA GLU 1 104 16.286 4.172 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU 1 104 15.172 5.131 -12.375 1.00 0.00 H new ATOM 0 HB3 GLU 1 104 15.251 3.383 -12.278 1.00 0.00 H new ATOM 0 HG2 GLU 1 104 12.967 3.146 -11.949 1.00 0.00 H new ATOM 0 HG3 GLU 1 104 12.791 4.731 -11.222 1.00 0.00 H new ATOM 1339 N HIS 1 105 15.963 6.390 -9.260 1.00 0.00 N ATOM 1340 CA HIS 1 105 15.833 7.736 -8.716 1.00 0.00 C ATOM 1341 C HIS 1 105 16.323 8.778 -9.716 1.00 0.00 C ATOM 1342 O HIS 1 105 15.804 9.892 -9.772 1.00 0.00 O ATOM 1343 CB HIS 1 105 16.618 7.859 -7.409 1.00 0.00 C ATOM 1344 CG HIS 1 105 16.022 8.835 -6.442 1.00 0.00 C ATOM 1345 ND1 HIS 1 105 14.796 8.646 -5.840 1.00 0.00 N ATOM 1346 CD2 HIS 1 105 16.492 10.015 -5.972 1.00 0.00 C ATOM 1347 CE1 HIS 1 105 14.536 9.667 -5.043 1.00 0.00 C ATOM 1348 NE2 HIS 1 105 15.550 10.511 -5.105 1.00 0.00 N ATOM 0 H HIS 1 105 16.891 5.980 -9.152 1.00 0.00 H new ATOM 0 HA HIS 1 105 14.777 7.919 -8.517 1.00 0.00 H new ATOM 0 HB2 HIS 1 105 16.674 6.879 -6.935 1.00 0.00 H new ATOM 0 HB3 HIS 1 105 17.640 8.163 -7.636 1.00 0.00 H new ATOM 0 HD2 HIS 1 105 17.432 10.479 -6.231 1.00 0.00 H new ATOM 0 HE1 HIS 1 105 13.646 9.790 -4.443 1.00 0.00 H new ATOM 0 HE2 HIS 1 105 15.622 11.389 -4.592 1.00 0.00 H new ATOM 1357 N HIS 1 106 17.326 8.407 -10.505 1.00 0.00 N ATOM 1358 CA HIS 1 106 17.887 9.309 -11.505 1.00 0.00 C ATOM 1359 C HIS 1 106 17.937 8.640 -12.875 1.00 0.00 C ATOM 1360 O HIS 1 106 18.821 8.923 -13.682 1.00 0.00 O ATOM 1361 CB HIS 1 106 19.290 9.754 -11.090 1.00 0.00 C ATOM 1362 CG HIS 1 106 20.184 8.620 -10.692 1.00 0.00 C ATOM 1363 ND1 HIS 1 106 21.282 8.232 -11.431 1.00 0.00 N ATOM 1364 CD2 HIS 1 106 20.139 7.789 -9.624 1.00 0.00 C ATOM 1365 CE1 HIS 1 106 21.872 7.210 -10.835 1.00 0.00 C ATOM 1366 NE2 HIS 1 106 21.199 6.923 -9.737 1.00 0.00 N ATOM 0 H HIS 1 106 17.767 7.488 -10.471 1.00 0.00 H new ATOM 0 HA HIS 1 106 17.241 10.184 -11.572 1.00 0.00 H new ATOM 0 HB2 HIS 1 106 19.750 10.296 -11.917 1.00 0.00 H new ATOM 0 HB3 HIS 1 106 19.209 10.452 -10.257 1.00 0.00 H new ATOM 0 HD2 HIS 1 106 19.406 7.804 -8.831 1.00 0.00 H new ATOM 0 HE1 HIS 1 106 22.755 6.697 -11.187 1.00 0.00 H new ATOM 0 HE2 HIS 1 106 21.429 6.179 -9.079 1.00 0.00 H new ATOM 1375 N HIS 1 107 16.981 7.752 -13.129 1.00 0.00 N ATOM 1376 CA HIS 1 107 16.917 7.043 -14.402 1.00 0.00 C ATOM 1377 C HIS 1 107 18.180 6.219 -14.630 1.00 0.00 C ATOM 1378 O HIS 1 107 19.226 6.492 -14.041 1.00 0.00 O ATOM 1379 CB HIS 1 107 16.721 8.034 -15.552 1.00 0.00 C ATOM 1380 CG HIS 1 107 15.571 7.693 -16.447 1.00 0.00 C ATOM 1381 ND1 HIS 1 107 14.845 8.642 -17.136 1.00 0.00 N ATOM 1382 CD2 HIS 1 107 15.020 6.497 -16.765 1.00 0.00 C ATOM 1383 CE1 HIS 1 107 13.898 8.045 -17.838 1.00 0.00 C ATOM 1384 NE2 HIS 1 107 13.983 6.744 -17.631 1.00 0.00 N ATOM 0 H HIS 1 107 16.241 7.507 -12.471 1.00 0.00 H new ATOM 0 HA HIS 1 107 16.065 6.364 -14.370 1.00 0.00 H new ATOM 0 HB2 HIS 1 107 16.566 9.031 -15.139 1.00 0.00 H new ATOM 0 HB3 HIS 1 107 17.634 8.073 -16.146 1.00 0.00 H new ATOM 0 HD2 HIS 1 107 15.337 5.530 -16.405 1.00 0.00 H new ATOM 0 HE1 HIS 1 107 13.177 8.538 -18.473 1.00 0.00 H new ATOM 0 HE2 HIS 1 107 13.377 6.037 -18.047 1.00 0.00 H new ATOM 1393 N HIS 1 108 18.076 5.209 -15.488 1.00 0.00 N ATOM 1394 CA HIS 1 108 19.210 4.346 -15.794 1.00 0.00 C ATOM 1395 C HIS 1 108 19.327 4.111 -17.297 1.00 0.00 C ATOM 1396 O HIS 1 108 18.413 3.577 -17.925 1.00 0.00 O ATOM 1397 CB HIS 1 108 19.070 3.007 -15.067 1.00 0.00 C ATOM 1398 CG HIS 1 108 17.707 2.399 -15.190 1.00 0.00 C ATOM 1399 ND1 HIS 1 108 17.221 1.875 -16.369 1.00 0.00 N ATOM 1400 CD2 HIS 1 108 16.725 2.232 -14.273 1.00 0.00 C ATOM 1401 CE1 HIS 1 108 15.998 1.413 -16.172 1.00 0.00 C ATOM 1402 NE2 HIS 1 108 15.675 1.617 -14.909 1.00 0.00 N ATOM 0 H HIS 1 108 17.217 4.969 -15.983 1.00 0.00 H new ATOM 0 HA HIS 1 108 20.116 4.845 -15.451 1.00 0.00 H new ATOM 0 HB2 HIS 1 108 19.807 2.309 -15.463 1.00 0.00 H new ATOM 0 HB3 HIS 1 108 19.301 3.150 -14.011 1.00 0.00 H new ATOM 0 HD1 HIS 1 108 17.726 1.848 -17.255 1.00 0.00 H new ATOM 0 HD2 HIS 1 108 16.761 2.527 -13.235 1.00 0.00 H new ATOM 0 HE1 HIS 1 108 15.370 0.948 -16.918 1.00 0.00 H new ATOM 1411 N HIS 1 109 20.458 4.514 -17.867 1.00 0.00 N ATOM 1412 CA HIS 1 109 20.695 4.347 -19.296 1.00 0.00 C ATOM 1413 C HIS 1 109 21.864 3.400 -19.547 1.00 0.00 C ATOM 1414 O HIS 1 109 22.445 2.854 -18.609 1.00 0.00 O ATOM 1415 CB HIS 1 109 20.972 5.703 -19.950 1.00 0.00 C ATOM 1416 CG HIS 1 109 22.075 6.470 -19.289 1.00 0.00 C ATOM 1417 ND1 HIS 1 109 23.411 6.181 -19.476 1.00 0.00 N ATOM 1418 CD2 HIS 1 109 22.036 7.524 -18.440 1.00 0.00 C ATOM 1419 CE1 HIS 1 109 24.145 7.022 -18.769 1.00 0.00 C ATOM 1420 NE2 HIS 1 109 23.335 7.847 -18.132 1.00 0.00 N ATOM 0 H HIS 1 109 21.224 4.958 -17.361 1.00 0.00 H new ATOM 0 HA HIS 1 109 19.799 3.914 -19.739 1.00 0.00 H new ATOM 0 HB2 HIS 1 109 21.226 5.547 -20.998 1.00 0.00 H new ATOM 0 HB3 HIS 1 109 20.061 6.301 -19.929 1.00 0.00 H new ATOM 0 HD2 HIS 1 109 21.149 8.019 -18.073 1.00 0.00 H new ATOM 0 HE1 HIS 1 109 25.224 7.033 -18.721 1.00 0.00 H new ATOM 0 HE2 HIS 1 109 23.627 8.602 -17.511 1.00 0.00 H new ATOM 1429 N HIS 1 110 22.204 3.211 -20.818 1.00 0.00 N ATOM 1430 CA HIS 1 110 23.304 2.330 -21.192 1.00 0.00 C ATOM 1431 C HIS 1 110 23.981 2.816 -22.469 1.00 0.00 C ATOM 1432 O HIS 1 110 23.364 3.625 -23.194 1.00 0.00 O ATOM 1433 CB HIS 1 110 22.797 0.899 -21.381 1.00 0.00 C ATOM 1434 CG HIS 1 110 23.737 -0.143 -20.858 1.00 0.00 C ATOM 1435 ND1 HIS 1 110 24.339 -0.060 -19.620 1.00 0.00 N ATOM 1436 CD2 HIS 1 110 24.177 -1.298 -21.412 1.00 0.00 C ATOM 1437 CE1 HIS 1 110 25.110 -1.117 -19.436 1.00 0.00 C ATOM 1438 NE2 HIS 1 110 25.028 -1.883 -20.507 1.00 0.00 N ATOM 1439 OXT HIS 1 110 25.122 2.385 -22.735 1.00 0.00 O ATOM 0 H HIS 1 110 21.734 3.656 -21.606 1.00 0.00 H new ATOM 0 HA HIS 1 110 24.038 2.344 -20.386 1.00 0.00 H new ATOM 0 HB2 HIS 1 110 21.835 0.794 -20.879 1.00 0.00 H new ATOM 0 HB3 HIS 1 110 22.624 0.721 -22.442 1.00 0.00 H new ATOM 0 HD2 HIS 1 110 23.909 -1.686 -22.384 1.00 0.00 H new ATOM 0 HE1 HIS 1 110 25.706 -1.319 -18.558 1.00 0.00 H new ATOM 0 HE2 HIS 1 110 25.518 -2.768 -20.641 1.00 0.00 H new TER 1448 HIS 1 110