USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 GLN : amide:sc= 2.2 K(o=1.8,f=0.96) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.798 X(o=1.8,f=1.8) USER MOD Set 1.3: A 80 TYR OH : rot 180:sc= 0.367 USER MOD Set 2.1: A 44 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.062) USER MOD Set 2.2: A 45 SER OG : rot 73:sc= 0.0454 USER MOD Set 3.1: A 4 THR OG1 : rot 140:sc= -0.0414 USER MOD Set 3.2: A 37 ASN : amide:sc= -0.405 K(o=-1.6,f=0.44) USER MOD Set 3.3: A 40 GLN : amide:sc= -1.17 K(o=-1.6,f=0.45) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0133) USER MOD Single : A 1 MET N :NH3+ -110:sc= -0.296 (180deg=-0.46) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.504 K(o=0.5,f=-6.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 50:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0163) USER MOD Single : A 49 MET CE :methyl -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 59 TYR OH : rot 100:sc= -0.0403 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 39:sc= 0.129 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -5:sc= 0.888 USER MOD Single : A 85 SER OG : rot 12:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.943 20.218 1.183 1.00 0.00 N ATOM 2 CA MET A 1 -24.253 21.455 1.947 1.00 0.00 C ATOM 3 C MET A 1 -24.156 21.344 3.492 1.00 0.00 C ATOM 4 O MET A 1 -24.705 22.161 4.233 1.00 0.00 O ATOM 5 CB MET A 1 -25.639 21.965 1.524 1.00 0.00 C ATOM 6 CG MET A 1 -25.659 22.457 0.072 1.00 0.00 C ATOM 7 SD MET A 1 -27.296 23.063 -0.484 1.00 0.00 S ATOM 8 CE MET A 1 -27.395 24.622 0.370 1.00 0.00 C ATOM 0 H1 MET A 1 -23.041 20.338 0.679 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.869 19.414 1.839 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.702 20.035 0.496 1.00 0.00 H new ATOM 0 HA MET A 1 -23.468 22.166 1.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.370 21.166 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.942 22.777 2.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.929 23.258 -0.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.342 21.644 -0.581 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.324 25.126 0.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.374 24.449 1.446 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.548 25.247 0.086 1.00 0.00 H new ATOM 20 N GLY A 2 -23.305 20.407 3.932 1.00 0.00 N ATOM 21 CA GLY A 2 -23.132 20.053 5.356 1.00 0.00 C ATOM 22 C GLY A 2 -23.265 18.534 5.548 1.00 0.00 C ATOM 23 O GLY A 2 -23.726 17.829 4.651 1.00 0.00 O ATOM 0 H GLY A 2 -22.709 19.865 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.154 20.386 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -23.879 20.569 5.959 1.00 0.00 H new ATOM 27 N VAL A 3 -22.832 18.077 6.724 1.00 0.00 N ATOM 28 CA VAL A 3 -22.812 16.649 7.135 1.00 0.00 C ATOM 29 C VAL A 3 -21.770 15.817 6.346 1.00 0.00 C ATOM 30 O VAL A 3 -21.413 16.119 5.210 1.00 0.00 O ATOM 31 CB VAL A 3 -24.249 16.064 7.092 1.00 0.00 C ATOM 32 CG1 VAL A 3 -24.344 14.552 7.329 1.00 0.00 C ATOM 33 CG2 VAL A 3 -25.138 16.753 8.133 1.00 0.00 C ATOM 0 H VAL A 3 -22.472 18.699 7.448 1.00 0.00 H new ATOM 0 HA VAL A 3 -22.473 16.589 8.169 1.00 0.00 H new ATOM 0 HB VAL A 3 -24.585 16.253 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -25.387 14.241 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -23.772 14.027 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -23.940 14.312 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -26.142 16.331 8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.721 16.597 9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.184 17.821 7.922 1.00 0.00 H new ATOM 43 N THR A 4 -21.123 14.931 7.099 1.00 0.00 N ATOM 44 CA THR A 4 -20.158 13.927 6.578 1.00 0.00 C ATOM 45 C THR A 4 -20.641 12.474 6.777 1.00 0.00 C ATOM 46 O THR A 4 -20.436 11.616 5.920 1.00 0.00 O ATOM 47 CB THR A 4 -18.728 14.152 7.125 1.00 0.00 C ATOM 48 OG1 THR A 4 -17.869 13.059 6.779 1.00 0.00 O ATOM 49 CG2 THR A 4 -18.659 14.424 8.634 1.00 0.00 C ATOM 0 H THR A 4 -21.247 14.878 8.110 1.00 0.00 H new ATOM 0 HA THR A 4 -20.109 14.083 5.500 1.00 0.00 H new ATOM 0 HB THR A 4 -18.379 15.064 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.986 13.403 6.528 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.620 14.570 8.930 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.232 15.321 8.869 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.075 13.575 9.176 1.00 0.00 H new ATOM 57 N GLU A 5 -21.138 12.206 7.982 1.00 0.00 N ATOM 58 CA GLU A 5 -21.882 10.978 8.340 1.00 0.00 C ATOM 59 C GLU A 5 -23.173 10.758 7.516 1.00 0.00 C ATOM 60 O GLU A 5 -23.458 11.501 6.582 1.00 0.00 O ATOM 61 CB GLU A 5 -22.144 10.972 9.859 1.00 0.00 C ATOM 62 CG GLU A 5 -23.073 12.050 10.452 1.00 0.00 C ATOM 63 CD GLU A 5 -22.522 13.484 10.476 1.00 0.00 C ATOM 64 OE1 GLU A 5 -21.284 13.653 10.392 1.00 0.00 O ATOM 65 OE2 GLU A 5 -23.356 14.411 10.425 1.00 0.00 O ATOM 0 H GLU A 5 -21.037 12.850 8.767 1.00 0.00 H new ATOM 0 HA GLU A 5 -21.256 10.125 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.559 9.998 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.180 11.053 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -24.003 12.050 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.323 11.762 11.473 1.00 0.00 H new ATOM 72 N ALA A 6 -23.871 9.656 7.800 1.00 0.00 N ATOM 73 CA ALA A 6 -25.153 9.241 7.175 1.00 0.00 C ATOM 74 C ALA A 6 -25.206 9.079 5.636 1.00 0.00 C ATOM 75 O ALA A 6 -26.272 8.840 5.076 1.00 0.00 O ATOM 76 CB ALA A 6 -26.283 10.153 7.678 1.00 0.00 C ATOM 0 H ALA A 6 -23.552 8.990 8.504 1.00 0.00 H new ATOM 0 HA ALA A 6 -25.279 8.210 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.225 9.851 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.362 10.070 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.064 11.186 7.408 1.00 0.00 H new ATOM 82 N GLN A 7 -24.027 8.898 5.040 1.00 0.00 N ATOM 83 CA GLN A 7 -23.781 8.694 3.589 1.00 0.00 C ATOM 84 C GLN A 7 -24.765 7.824 2.766 1.00 0.00 C ATOM 85 O GLN A 7 -24.987 8.123 1.594 1.00 0.00 O ATOM 86 CB GLN A 7 -22.353 8.140 3.460 1.00 0.00 C ATOM 87 CG GLN A 7 -21.793 8.121 2.030 1.00 0.00 C ATOM 88 CD GLN A 7 -21.460 9.518 1.499 1.00 0.00 C ATOM 89 OE1 GLN A 7 -20.693 10.285 2.068 1.00 0.00 O ATOM 90 NE2 GLN A 7 -22.034 9.858 0.367 1.00 0.00 N ATOM 0 H GLN A 7 -23.160 8.887 5.577 1.00 0.00 H new ATOM 0 HA GLN A 7 -23.942 9.673 3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -21.690 8.736 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.336 7.124 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -20.894 7.505 2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -22.519 7.650 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -22.671 9.210 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -21.843 10.770 -0.048 1.00 0.00 H new ATOM 99 N TYR A 8 -25.304 6.762 3.378 1.00 0.00 N ATOM 100 CA TYR A 8 -26.162 5.739 2.719 1.00 0.00 C ATOM 101 C TYR A 8 -26.540 4.621 3.714 1.00 0.00 C ATOM 102 O TYR A 8 -27.689 4.507 4.122 1.00 0.00 O ATOM 103 CB TYR A 8 -25.504 5.115 1.473 1.00 0.00 C ATOM 104 CG TYR A 8 -26.494 4.307 0.625 1.00 0.00 C ATOM 105 CD1 TYR A 8 -26.817 2.998 0.965 1.00 0.00 C ATOM 106 CD2 TYR A 8 -27.125 4.910 -0.457 1.00 0.00 C ATOM 107 CE1 TYR A 8 -27.768 2.298 0.237 1.00 0.00 C ATOM 108 CE2 TYR A 8 -28.066 4.208 -1.197 1.00 0.00 C ATOM 109 CZ TYR A 8 -28.386 2.901 -0.851 1.00 0.00 C ATOM 110 OH TYR A 8 -29.250 2.194 -1.621 1.00 0.00 O ATOM 0 H TYR A 8 -25.159 6.575 4.370 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.060 6.262 2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.069 5.906 0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.685 4.467 1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -26.325 2.523 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.882 5.928 -0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -28.027 1.287 0.515 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -28.549 4.677 -2.041 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.593 2.767 -2.338 1.00 0.00 H new ATOM 120 N VAL A 9 -25.521 3.855 4.114 1.00 0.00 N ATOM 121 CA VAL A 9 -25.580 2.701 5.050 1.00 0.00 C ATOM 122 C VAL A 9 -26.392 1.511 4.484 1.00 0.00 C ATOM 123 O VAL A 9 -27.618 1.493 4.530 1.00 0.00 O ATOM 124 CB VAL A 9 -26.101 3.085 6.460 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.864 1.955 7.469 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.499 4.377 7.026 1.00 0.00 C ATOM 0 H VAL A 9 -24.572 4.024 3.780 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.544 2.380 5.159 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.168 3.257 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.240 2.256 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.387 1.057 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.796 1.748 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.917 4.571 8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.417 4.270 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -25.734 5.209 6.362 1.00 0.00 H new ATOM 136 N ALA A 10 -25.682 0.577 3.851 1.00 0.00 N ATOM 137 CA ALA A 10 -26.250 -0.732 3.452 1.00 0.00 C ATOM 138 C ALA A 10 -25.356 -1.911 3.912 1.00 0.00 C ATOM 139 O ALA A 10 -24.457 -2.327 3.176 1.00 0.00 O ATOM 140 CB ALA A 10 -26.484 -0.751 1.936 1.00 0.00 C ATOM 0 H ALA A 10 -24.701 0.695 3.597 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.209 -0.863 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.902 -1.715 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.180 0.043 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.537 -0.595 1.420 1.00 0.00 H new ATOM 146 N PRO A 11 -25.479 -2.339 5.180 1.00 0.00 N ATOM 147 CA PRO A 11 -24.642 -3.420 5.740 1.00 0.00 C ATOM 148 C PRO A 11 -24.993 -4.797 5.159 1.00 0.00 C ATOM 149 O PRO A 11 -26.146 -5.076 4.846 1.00 0.00 O ATOM 150 CB PRO A 11 -24.867 -3.346 7.252 1.00 0.00 C ATOM 151 CG PRO A 11 -26.288 -2.795 7.375 1.00 0.00 C ATOM 152 CD PRO A 11 -26.402 -1.813 6.206 1.00 0.00 C ATOM 0 HA PRO A 11 -23.591 -3.290 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.775 -4.326 7.720 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.140 -2.693 7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.032 -3.588 7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.442 -2.297 8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.424 -1.762 5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.123 -0.804 6.509 1.00 0.00 H new ATOM 160 N THR A 12 -23.938 -5.546 4.859 1.00 0.00 N ATOM 161 CA THR A 12 -24.076 -6.930 4.347 1.00 0.00 C ATOM 162 C THR A 12 -23.864 -7.972 5.463 1.00 0.00 C ATOM 163 O THR A 12 -24.816 -8.536 5.990 1.00 0.00 O ATOM 164 CB THR A 12 -23.096 -7.217 3.193 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.761 -6.020 2.483 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.681 -8.252 2.229 1.00 0.00 C ATOM 0 H THR A 12 -22.973 -5.230 4.957 1.00 0.00 H new ATOM 0 HA THR A 12 -25.095 -7.014 3.970 1.00 0.00 H new ATOM 0 HB THR A 12 -22.183 -7.620 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.137 -6.233 1.758 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.972 -8.439 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.874 -9.181 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.614 -7.874 1.812 1.00 0.00 H new ATOM 174 N ASN A 13 -22.600 -8.178 5.826 1.00 0.00 N ATOM 175 CA ASN A 13 -22.155 -9.239 6.755 1.00 0.00 C ATOM 176 C ASN A 13 -21.476 -8.673 8.019 1.00 0.00 C ATOM 177 O ASN A 13 -21.301 -7.460 8.140 1.00 0.00 O ATOM 178 CB ASN A 13 -21.220 -10.180 5.975 1.00 0.00 C ATOM 179 CG ASN A 13 -20.011 -9.469 5.349 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.326 -8.663 5.967 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.781 -9.716 4.082 1.00 0.00 N ATOM 0 H ASN A 13 -21.831 -7.604 5.480 1.00 0.00 H new ATOM 0 HA ASN A 13 -23.022 -9.788 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.863 -10.962 6.646 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.789 -10.672 5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.023 -9.234 3.598 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.360 -10.390 3.581 1.00 0.00 H new ATOM 188 N ALA A 14 -20.984 -9.577 8.868 1.00 0.00 N ATOM 189 CA ALA A 14 -20.252 -9.239 10.109 1.00 0.00 C ATOM 190 C ALA A 14 -19.105 -8.233 9.902 1.00 0.00 C ATOM 191 O ALA A 14 -19.190 -7.129 10.433 1.00 0.00 O ATOM 192 CB ALA A 14 -19.726 -10.520 10.763 1.00 0.00 C ATOM 0 H ALA A 14 -21.080 -10.581 8.719 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.967 -8.744 10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.188 -10.268 11.676 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.563 -11.175 11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.053 -11.030 10.074 1.00 0.00 H new ATOM 198 N VAL A 15 -18.241 -8.506 8.919 1.00 0.00 N ATOM 199 CA VAL A 15 -17.107 -7.629 8.533 1.00 0.00 C ATOM 200 C VAL A 15 -17.627 -6.225 8.165 1.00 0.00 C ATOM 201 O VAL A 15 -17.385 -5.271 8.899 1.00 0.00 O ATOM 202 CB VAL A 15 -16.294 -8.264 7.379 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.113 -7.390 6.940 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.752 -9.644 7.766 1.00 0.00 C ATOM 0 H VAL A 15 -18.302 -9.353 8.354 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.432 -7.523 9.382 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.993 -8.357 6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.577 -7.883 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.483 -6.424 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.438 -7.241 7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.187 -10.060 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.100 -9.548 8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.583 -10.307 8.007 1.00 0.00 H new ATOM 214 N GLU A 16 -18.548 -6.197 7.202 1.00 0.00 N ATOM 215 CA GLU A 16 -19.245 -4.981 6.734 1.00 0.00 C ATOM 216 C GLU A 16 -19.823 -4.124 7.877 1.00 0.00 C ATOM 217 O GLU A 16 -19.372 -2.999 8.092 1.00 0.00 O ATOM 218 CB GLU A 16 -20.357 -5.399 5.765 1.00 0.00 C ATOM 219 CG GLU A 16 -19.856 -5.617 4.333 1.00 0.00 C ATOM 220 CD GLU A 16 -20.013 -4.358 3.469 1.00 0.00 C ATOM 221 OE1 GLU A 16 -21.054 -3.678 3.629 1.00 0.00 O ATOM 222 OE2 GLU A 16 -19.092 -4.104 2.665 1.00 0.00 O ATOM 0 H GLU A 16 -18.844 -7.038 6.707 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.509 -4.350 6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.819 -6.318 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.133 -4.633 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.807 -5.911 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.407 -6.440 3.878 1.00 0.00 H new ATOM 229 N SER A 17 -20.664 -4.755 8.697 1.00 0.00 N ATOM 230 CA SER A 17 -21.371 -4.106 9.820 1.00 0.00 C ATOM 231 C SER A 17 -20.437 -3.656 10.957 1.00 0.00 C ATOM 232 O SER A 17 -20.308 -2.458 11.202 1.00 0.00 O ATOM 233 CB SER A 17 -22.465 -5.039 10.355 1.00 0.00 C ATOM 234 OG SER A 17 -23.241 -4.365 11.349 1.00 0.00 O ATOM 0 H SER A 17 -20.882 -5.747 8.605 1.00 0.00 H new ATOM 0 HA SER A 17 -21.820 -3.195 9.425 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.109 -5.364 9.538 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.014 -5.935 10.780 1.00 0.00 H new ATOM 0 HG SER A 17 -23.938 -4.967 11.684 1.00 0.00 H new ATOM 240 N LYS A 18 -19.645 -4.589 11.487 1.00 0.00 N ATOM 241 CA LYS A 18 -18.728 -4.344 12.621 1.00 0.00 C ATOM 242 C LYS A 18 -17.615 -3.334 12.284 1.00 0.00 C ATOM 243 O LYS A 18 -17.329 -2.441 13.082 1.00 0.00 O ATOM 244 CB LYS A 18 -18.170 -5.690 13.097 1.00 0.00 C ATOM 245 CG LYS A 18 -17.359 -5.594 14.394 1.00 0.00 C ATOM 246 CD LYS A 18 -17.063 -6.970 15.003 1.00 0.00 C ATOM 247 CE LYS A 18 -16.134 -7.843 14.152 1.00 0.00 C ATOM 248 NZ LYS A 18 -15.947 -9.157 14.782 1.00 0.00 N ATOM 0 H LYS A 18 -19.616 -5.549 11.143 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.288 -3.878 13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.997 -6.384 13.246 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.539 -6.110 12.314 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.420 -5.079 14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.906 -4.990 15.117 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.614 -6.831 15.987 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.004 -7.499 15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.555 -7.968 13.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.170 -7.349 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.315 -9.737 14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.526 -9.033 15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.868 -9.632 14.874 1.00 0.00 H new ATOM 262 N LEU A 19 -17.089 -3.408 11.062 1.00 0.00 N ATOM 263 CA LEU A 19 -16.150 -2.391 10.556 1.00 0.00 C ATOM 264 C LEU A 19 -16.799 -1.009 10.400 1.00 0.00 C ATOM 265 O LEU A 19 -16.297 -0.058 10.988 1.00 0.00 O ATOM 266 CB LEU A 19 -15.454 -2.834 9.263 1.00 0.00 C ATOM 267 CG LEU A 19 -14.152 -3.642 9.414 1.00 0.00 C ATOM 268 CD1 LEU A 19 -13.063 -2.805 10.087 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.339 -4.982 10.134 1.00 0.00 C ATOM 0 H LEU A 19 -17.293 -4.157 10.401 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.379 -2.291 11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.159 -3.432 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.234 -1.944 8.674 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.833 -3.889 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.154 -3.399 10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.858 -1.921 9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.400 -2.497 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.380 -5.495 10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.729 -4.805 11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.041 -5.600 9.575 1.00 0.00 H new ATOM 281 N ALA A 20 -17.998 -0.939 9.813 1.00 0.00 N ATOM 282 CA ALA A 20 -18.782 0.319 9.752 1.00 0.00 C ATOM 283 C ALA A 20 -19.088 0.898 11.149 1.00 0.00 C ATOM 284 O ALA A 20 -19.000 2.109 11.358 1.00 0.00 O ATOM 285 CB ALA A 20 -20.085 0.100 8.983 1.00 0.00 C ATOM 0 H ALA A 20 -18.456 -1.735 9.370 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.164 1.048 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.648 1.033 8.948 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.858 -0.225 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.679 -0.664 9.484 1.00 0.00 H new ATOM 291 N GLU A 21 -19.362 0.002 12.099 1.00 0.00 N ATOM 292 CA GLU A 21 -19.499 0.302 13.538 1.00 0.00 C ATOM 293 C GLU A 21 -18.223 0.953 14.108 1.00 0.00 C ATOM 294 O GLU A 21 -18.270 2.108 14.535 1.00 0.00 O ATOM 295 CB GLU A 21 -19.866 -0.995 14.272 1.00 0.00 C ATOM 296 CG GLU A 21 -20.095 -0.822 15.779 1.00 0.00 C ATOM 297 CD GLU A 21 -20.271 -2.161 16.508 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.544 -3.121 16.165 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.137 -2.192 17.410 1.00 0.00 O ATOM 0 H GLU A 21 -19.500 -0.986 11.888 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.294 1.033 13.686 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.769 -1.410 13.824 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.070 -1.724 14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.251 -0.286 16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.980 -0.206 15.940 1.00 0.00 H new ATOM 306 N ILE A 22 -17.085 0.263 14.009 1.00 0.00 N ATOM 307 CA ILE A 22 -15.801 0.814 14.497 1.00 0.00 C ATOM 308 C ILE A 22 -15.394 2.107 13.767 1.00 0.00 C ATOM 309 O ILE A 22 -15.065 3.087 14.428 1.00 0.00 O ATOM 310 CB ILE A 22 -14.654 -0.216 14.597 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.194 -0.842 13.274 1.00 0.00 C ATOM 312 CG2 ILE A 22 -15.002 -1.307 15.614 1.00 0.00 C ATOM 313 CD1 ILE A 22 -13.130 0.002 12.563 1.00 0.00 C ATOM 0 H ILE A 22 -17.017 -0.669 13.601 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.996 1.093 15.532 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.796 0.365 14.934 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.794 -1.838 13.467 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.054 -0.966 12.616 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.184 -2.025 15.672 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.159 -0.855 16.593 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.912 -1.819 15.301 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.840 -0.486 11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.536 0.989 12.343 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.256 0.104 13.207 1.00 0.00 H new ATOM 325 N TRP A 23 -15.653 2.163 12.459 1.00 0.00 N ATOM 326 CA TRP A 23 -15.472 3.371 11.630 1.00 0.00 C ATOM 327 C TRP A 23 -16.258 4.571 12.176 1.00 0.00 C ATOM 328 O TRP A 23 -15.650 5.521 12.663 1.00 0.00 O ATOM 329 CB TRP A 23 -15.875 3.111 10.174 1.00 0.00 C ATOM 330 CG TRP A 23 -14.851 2.301 9.375 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.113 1.251 8.601 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.493 2.560 9.273 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.985 0.819 8.037 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.978 1.600 8.416 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.693 3.602 9.728 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.652 1.680 8.007 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.374 3.690 9.306 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.859 2.737 8.437 1.00 0.00 C ATOM 0 H TRP A 23 -16.000 1.362 11.932 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.410 3.615 11.668 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.829 2.583 10.161 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -16.033 4.068 9.676 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.090 0.815 8.452 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.907 0.016 7.413 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -13.096 4.339 10.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.239 0.923 7.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.748 4.499 9.653 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.838 2.818 8.094 1.00 0.00 H new ATOM 349 N GLU A 24 -17.574 4.400 12.309 1.00 0.00 N ATOM 350 CA GLU A 24 -18.467 5.456 12.829 1.00 0.00 C ATOM 351 C GLU A 24 -18.155 5.907 14.266 1.00 0.00 C ATOM 352 O GLU A 24 -18.429 7.056 14.608 1.00 0.00 O ATOM 353 CB GLU A 24 -19.942 5.083 12.635 1.00 0.00 C ATOM 354 CG GLU A 24 -20.512 3.931 13.473 1.00 0.00 C ATOM 355 CD GLU A 24 -21.753 3.286 12.839 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.424 3.965 12.027 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.019 2.116 13.193 1.00 0.00 O ATOM 0 H GLU A 24 -18.056 3.535 12.063 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.262 6.339 12.224 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.540 5.971 12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.088 4.835 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.742 3.171 13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.769 4.303 14.465 1.00 0.00 H new ATOM 364 N ARG A 25 -17.653 4.974 15.073 1.00 0.00 N ATOM 365 CA ARG A 25 -17.133 5.239 16.428 1.00 0.00 C ATOM 366 C ARG A 25 -15.817 6.048 16.393 1.00 0.00 C ATOM 367 O ARG A 25 -15.816 7.229 16.735 1.00 0.00 O ATOM 368 CB ARG A 25 -16.934 3.898 17.145 1.00 0.00 C ATOM 369 CG ARG A 25 -17.424 3.929 18.595 1.00 0.00 C ATOM 370 CD ARG A 25 -18.951 3.842 18.670 1.00 0.00 C ATOM 371 NE ARG A 25 -19.377 3.896 20.079 1.00 0.00 N ATOM 372 CZ ARG A 25 -20.607 3.679 20.551 1.00 0.00 C ATOM 373 NH1 ARG A 25 -21.597 3.229 19.791 1.00 0.00 N ATOM 374 NH2 ARG A 25 -20.841 3.803 21.848 1.00 0.00 N ATOM 0 H ARG A 25 -17.592 3.992 14.805 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.855 5.848 16.972 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.466 3.117 16.602 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.877 3.634 17.128 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.983 3.099 19.148 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.086 4.847 19.075 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -19.401 4.663 18.111 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -19.296 2.916 18.210 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.658 4.123 20.766 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -21.434 3.034 18.803 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -22.521 3.078 20.195 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.084 4.063 22.480 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -21.778 3.639 22.215 1.00 0.00 H new ATOM 388 N VAL A 26 -14.783 5.466 15.782 1.00 0.00 N ATOM 389 CA VAL A 26 -13.404 6.011 15.710 1.00 0.00 C ATOM 390 C VAL A 26 -13.324 7.370 14.978 1.00 0.00 C ATOM 391 O VAL A 26 -12.621 8.267 15.437 1.00 0.00 O ATOM 392 CB VAL A 26 -12.452 4.947 15.116 1.00 0.00 C ATOM 393 CG1 VAL A 26 -11.012 5.442 14.919 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.381 3.711 16.021 1.00 0.00 C ATOM 0 H VAL A 26 -14.874 4.570 15.303 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.076 6.232 16.726 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.877 4.711 14.140 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.406 4.639 14.499 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.010 6.293 14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.597 5.745 15.880 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.705 2.977 15.582 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.012 4.001 17.005 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.375 3.275 16.120 1.00 0.00 H new ATOM 404 N LEU A 27 -14.117 7.530 13.918 1.00 0.00 N ATOM 405 CA LEU A 27 -14.252 8.795 13.157 1.00 0.00 C ATOM 406 C LEU A 27 -14.705 9.994 14.023 1.00 0.00 C ATOM 407 O LEU A 27 -14.338 11.133 13.741 1.00 0.00 O ATOM 408 CB LEU A 27 -15.208 8.535 11.982 1.00 0.00 C ATOM 409 CG LEU A 27 -15.306 9.661 10.946 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.463 9.053 9.552 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.522 10.550 11.225 1.00 0.00 C ATOM 0 H LEU A 27 -14.698 6.777 13.549 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.269 9.090 12.789 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.891 7.624 11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.204 8.346 12.382 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.399 10.262 11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.533 9.851 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.599 8.426 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.369 8.447 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.572 11.342 10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.430 9.949 11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.430 10.992 12.217 1.00 0.00 H new ATOM 423 N GLY A 28 -15.403 9.679 15.123 1.00 0.00 N ATOM 424 CA GLY A 28 -15.964 10.673 16.061 1.00 0.00 C ATOM 425 C GLY A 28 -17.461 10.438 16.304 1.00 0.00 C ATOM 426 O GLY A 28 -18.285 11.291 15.983 1.00 0.00 O ATOM 0 H GLY A 28 -15.599 8.715 15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.429 10.622 17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.812 11.676 15.663 1.00 0.00 H new ATOM 430 N VAL A 29 -17.757 9.263 16.866 1.00 0.00 N ATOM 431 CA VAL A 29 -19.102 8.711 17.172 1.00 0.00 C ATOM 432 C VAL A 29 -20.277 9.407 16.441 1.00 0.00 C ATOM 433 O VAL A 29 -21.205 9.967 17.020 1.00 0.00 O ATOM 434 CB VAL A 29 -19.231 8.557 18.706 1.00 0.00 C ATOM 435 CG1 VAL A 29 -19.264 9.883 19.477 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.384 7.625 19.094 1.00 0.00 C ATOM 0 H VAL A 29 -17.018 8.617 17.143 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.190 7.715 16.739 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.304 8.079 19.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.356 9.681 20.544 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.343 10.436 19.290 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -20.116 10.476 19.145 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.438 7.546 20.180 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.322 8.028 18.712 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -20.213 6.637 18.666 1.00 0.00 H new ATOM 446 N SER A 30 -20.258 9.188 15.129 1.00 0.00 N ATOM 447 CA SER A 30 -21.084 9.946 14.160 1.00 0.00 C ATOM 448 C SER A 30 -22.237 9.181 13.489 1.00 0.00 C ATOM 449 O SER A 30 -23.323 9.733 13.331 1.00 0.00 O ATOM 450 CB SER A 30 -20.193 10.514 13.049 1.00 0.00 C ATOM 451 OG SER A 30 -19.312 11.536 13.518 1.00 0.00 O ATOM 0 H SER A 30 -19.669 8.478 14.694 1.00 0.00 H new ATOM 0 HA SER A 30 -21.553 10.717 14.772 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.606 9.707 12.611 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.822 10.918 12.255 1.00 0.00 H new ATOM 0 HG SER A 30 -18.844 11.222 14.320 1.00 0.00 H new ATOM 457 N GLY A 31 -21.922 7.993 12.948 1.00 0.00 N ATOM 458 CA GLY A 31 -22.895 7.169 12.195 1.00 0.00 C ATOM 459 C GLY A 31 -22.659 7.275 10.681 1.00 0.00 C ATOM 460 O GLY A 31 -23.277 8.096 10.007 1.00 0.00 O ATOM 0 H GLY A 31 -20.994 7.575 13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.812 6.128 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.909 7.492 12.431 1.00 0.00 H new ATOM 464 N ILE A 32 -21.855 6.362 10.139 1.00 0.00 N ATOM 465 CA ILE A 32 -21.382 6.477 8.738 1.00 0.00 C ATOM 466 C ILE A 32 -21.840 5.327 7.828 1.00 0.00 C ATOM 467 O ILE A 32 -22.153 4.229 8.288 1.00 0.00 O ATOM 468 CB ILE A 32 -19.860 6.729 8.608 1.00 0.00 C ATOM 469 CG1 ILE A 32 -18.952 5.643 9.203 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.482 8.107 9.158 1.00 0.00 C ATOM 471 CD1 ILE A 32 -18.712 4.452 8.271 1.00 0.00 C ATOM 0 H ILE A 32 -21.514 5.538 10.633 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.878 7.377 8.374 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.673 6.690 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -17.991 6.089 9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.395 5.282 10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.407 8.258 9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.012 8.879 8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.757 8.166 10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -18.062 3.730 8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.665 3.979 8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.239 4.799 7.352 1.00 0.00 H new ATOM 483 N GLY A 33 -21.808 5.623 6.522 1.00 0.00 N ATOM 484 CA GLY A 33 -22.199 4.671 5.465 1.00 0.00 C ATOM 485 C GLY A 33 -21.128 3.611 5.175 1.00 0.00 C ATOM 486 O GLY A 33 -19.934 3.840 5.336 1.00 0.00 O ATOM 0 H GLY A 33 -21.510 6.531 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.123 4.173 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.411 5.223 4.549 1.00 0.00 H new ATOM 490 N ILE A 34 -21.602 2.468 4.691 1.00 0.00 N ATOM 491 CA ILE A 34 -20.772 1.397 4.084 1.00 0.00 C ATOM 492 C ILE A 34 -19.774 1.927 3.028 1.00 0.00 C ATOM 493 O ILE A 34 -18.611 1.535 3.004 1.00 0.00 O ATOM 494 CB ILE A 34 -21.765 0.341 3.544 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.516 -0.348 4.698 1.00 0.00 C ATOM 496 CG2 ILE A 34 -21.209 -0.652 2.510 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.683 -1.108 5.740 1.00 0.00 C ATOM 0 H ILE A 34 -22.596 2.241 4.703 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.112 0.944 4.824 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.481 0.911 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.095 0.412 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.229 -1.049 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.997 -1.341 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.849 -0.106 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.386 -1.214 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.345 -1.540 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.123 -1.904 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.988 -0.420 6.222 1.00 0.00 H new ATOM 509 N LEU A 35 -20.259 2.867 2.217 1.00 0.00 N ATOM 510 CA LEU A 35 -19.472 3.661 1.247 1.00 0.00 C ATOM 511 C LEU A 35 -18.377 4.549 1.876 1.00 0.00 C ATOM 512 O LEU A 35 -17.502 5.058 1.176 1.00 0.00 O ATOM 513 CB LEU A 35 -20.418 4.561 0.429 1.00 0.00 C ATOM 514 CG LEU A 35 -21.334 3.896 -0.619 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.543 3.062 -1.631 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.493 3.108 0.002 1.00 0.00 C ATOM 0 H LEU A 35 -21.249 3.113 2.210 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.959 2.929 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.053 5.101 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.808 5.304 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 35 -21.796 4.714 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.230 2.613 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.836 3.703 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.999 2.275 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.098 2.666 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.096 2.318 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -23.111 3.779 0.599 1.00 0.00 H new ATOM 528 N ASP A 36 -18.457 4.724 3.197 1.00 0.00 N ATOM 529 CA ASP A 36 -17.652 5.646 4.024 1.00 0.00 C ATOM 530 C ASP A 36 -17.861 7.104 3.565 1.00 0.00 C ATOM 531 O ASP A 36 -18.945 7.435 3.096 1.00 0.00 O ATOM 532 CB ASP A 36 -16.186 5.183 4.040 1.00 0.00 C ATOM 533 CG ASP A 36 -16.019 3.825 4.730 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.131 2.794 4.031 1.00 0.00 O ATOM 535 OD2 ASP A 36 -15.859 3.850 5.969 1.00 0.00 O ATOM 0 H ASP A 36 -19.125 4.196 3.759 1.00 0.00 H new ATOM 0 HA ASP A 36 -17.986 5.622 5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.816 5.118 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.577 5.927 4.553 1.00 0.00 H new ATOM 540 N ASN A 37 -16.922 7.987 3.890 1.00 0.00 N ATOM 541 CA ASN A 37 -16.921 9.363 3.349 1.00 0.00 C ATOM 542 C ASN A 37 -15.748 9.601 2.371 1.00 0.00 C ATOM 543 O ASN A 37 -15.440 10.738 2.031 1.00 0.00 O ATOM 544 CB ASN A 37 -16.917 10.313 4.559 1.00 0.00 C ATOM 545 CG ASN A 37 -16.910 11.803 4.207 1.00 0.00 C ATOM 546 OD1 ASN A 37 -15.931 12.502 4.429 1.00 0.00 O ATOM 547 ND2 ASN A 37 -18.062 12.357 3.891 1.00 0.00 N ATOM 0 H ASN A 37 -16.148 7.785 4.524 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.808 9.549 2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.794 10.103 5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.042 10.095 5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.140 13.372 3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.876 11.771 3.707 1.00 0.00 H new ATOM 554 N PHE A 38 -15.163 8.504 1.875 1.00 0.00 N ATOM 555 CA PHE A 38 -13.969 8.433 0.994 1.00 0.00 C ATOM 556 C PHE A 38 -12.763 9.373 1.250 1.00 0.00 C ATOM 557 O PHE A 38 -11.818 9.431 0.468 1.00 0.00 O ATOM 558 CB PHE A 38 -14.396 8.419 -0.483 1.00 0.00 C ATOM 559 CG PHE A 38 -15.202 9.642 -0.924 1.00 0.00 C ATOM 560 CD1 PHE A 38 -16.588 9.638 -0.820 1.00 0.00 C ATOM 561 CD2 PHE A 38 -14.545 10.750 -1.445 1.00 0.00 C ATOM 562 CE1 PHE A 38 -17.318 10.747 -1.228 1.00 0.00 C ATOM 563 CE2 PHE A 38 -15.276 11.854 -1.862 1.00 0.00 C ATOM 564 CZ PHE A 38 -16.662 11.854 -1.752 1.00 0.00 C ATOM 0 H PHE A 38 -15.528 7.575 2.087 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.522 7.484 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.504 8.345 -1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.989 7.523 -0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.097 8.773 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.468 10.752 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.394 10.749 -1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -14.768 12.714 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.229 12.715 -2.074 1.00 0.00 H new ATOM 574 N PHE A 39 -12.812 10.060 2.388 1.00 0.00 N ATOM 575 CA PHE A 39 -11.768 10.983 2.867 1.00 0.00 C ATOM 576 C PHE A 39 -11.270 10.596 4.279 1.00 0.00 C ATOM 577 O PHE A 39 -10.402 9.733 4.410 1.00 0.00 O ATOM 578 CB PHE A 39 -12.384 12.389 2.748 1.00 0.00 C ATOM 579 CG PHE A 39 -11.517 13.537 3.266 1.00 0.00 C ATOM 580 CD1 PHE A 39 -10.426 13.979 2.527 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.956 14.272 4.363 1.00 0.00 C ATOM 582 CE1 PHE A 39 -9.778 15.155 2.880 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.305 15.446 4.718 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.218 15.891 3.975 1.00 0.00 C ATOM 0 H PHE A 39 -13.603 9.993 3.029 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.854 10.941 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.615 12.577 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.330 12.399 3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.082 13.407 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.803 13.929 4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.932 15.499 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.644 16.014 5.572 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.716 16.807 4.248 1.00 0.00 H new ATOM 594 N GLN A 40 -11.968 11.075 5.311 1.00 0.00 N ATOM 595 CA GLN A 40 -11.602 10.911 6.739 1.00 0.00 C ATOM 596 C GLN A 40 -11.747 9.522 7.407 1.00 0.00 C ATOM 597 O GLN A 40 -11.907 9.408 8.621 1.00 0.00 O ATOM 598 CB GLN A 40 -12.260 12.016 7.580 1.00 0.00 C ATOM 599 CG GLN A 40 -13.789 12.113 7.458 1.00 0.00 C ATOM 600 CD GLN A 40 -14.402 12.961 8.578 1.00 0.00 C ATOM 601 OE1 GLN A 40 -13.763 13.748 9.261 1.00 0.00 O ATOM 602 NE2 GLN A 40 -15.704 12.894 8.725 1.00 0.00 N ATOM 0 H GLN A 40 -12.830 11.605 5.184 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.516 11.006 6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.005 11.853 8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.828 12.974 7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.049 12.546 6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.219 11.112 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.248 12.241 8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.172 13.495 9.403 1.00 0.00 H new ATOM 611 N ILE A 41 -11.523 8.476 6.618 1.00 0.00 N ATOM 612 CA ILE A 41 -11.456 7.080 7.114 1.00 0.00 C ATOM 613 C ILE A 41 -10.038 6.488 6.980 1.00 0.00 C ATOM 614 O ILE A 41 -9.541 5.855 7.909 1.00 0.00 O ATOM 615 CB ILE A 41 -12.515 6.117 6.527 1.00 0.00 C ATOM 616 CG1 ILE A 41 -12.403 5.780 5.026 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.927 6.528 6.964 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.532 6.935 4.026 1.00 0.00 C ATOM 0 H ILE A 41 -11.381 8.559 5.611 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.706 7.166 8.171 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.280 5.150 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.439 5.299 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.171 5.044 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.655 5.837 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.993 6.502 8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.137 7.538 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.433 6.550 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.507 7.409 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.748 7.668 4.214 1.00 0.00 H new ATOM 630 N GLY A 42 -9.383 6.797 5.848 1.00 0.00 N ATOM 631 CA GLY A 42 -7.976 6.433 5.592 1.00 0.00 C ATOM 632 C GLY A 42 -7.005 7.043 6.611 1.00 0.00 C ATOM 633 O GLY A 42 -6.242 6.325 7.257 1.00 0.00 O ATOM 0 H GLY A 42 -9.816 7.309 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.878 5.348 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.698 6.762 4.591 1.00 0.00 H new ATOM 637 N GLY A 43 -6.947 8.380 6.590 1.00 0.00 N ATOM 638 CA GLY A 43 -6.122 9.145 7.546 1.00 0.00 C ATOM 639 C GLY A 43 -6.229 10.662 7.367 1.00 0.00 C ATOM 640 O GLY A 43 -5.739 11.206 6.382 1.00 0.00 O ATOM 0 H GLY A 43 -7.459 8.958 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.421 8.885 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.080 8.846 7.434 1.00 0.00 H new ATOM 644 N HIS A 44 -7.044 11.272 8.226 1.00 0.00 N ATOM 645 CA HIS A 44 -7.097 12.745 8.394 1.00 0.00 C ATOM 646 C HIS A 44 -5.762 13.329 8.915 1.00 0.00 C ATOM 647 O HIS A 44 -5.463 14.506 8.718 1.00 0.00 O ATOM 648 CB HIS A 44 -8.271 13.120 9.321 1.00 0.00 C ATOM 649 CG HIS A 44 -8.064 12.794 10.809 1.00 0.00 C ATOM 650 ND1 HIS A 44 -7.766 13.690 11.748 1.00 0.00 N ATOM 651 CD2 HIS A 44 -7.729 11.600 11.294 1.00 0.00 C ATOM 652 CE1 HIS A 44 -7.199 13.051 12.770 1.00 0.00 C ATOM 653 NE2 HIS A 44 -7.139 11.753 12.474 1.00 0.00 N ATOM 0 H HIS A 44 -7.692 10.768 8.832 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.260 13.189 7.412 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.462 14.189 9.223 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.166 12.603 8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.909 10.654 10.804 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.848 13.507 13.684 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.720 11.018 13.044 1.00 0.00 H new ATOM 662 N SER A 45 -5.127 12.562 9.805 1.00 0.00 N ATOM 663 CA SER A 45 -3.786 12.830 10.363 1.00 0.00 C ATOM 664 C SER A 45 -3.119 11.489 10.728 1.00 0.00 C ATOM 665 O SER A 45 -2.692 10.774 9.825 1.00 0.00 O ATOM 666 CB SER A 45 -3.835 13.785 11.572 1.00 0.00 C ATOM 667 OG SER A 45 -4.662 14.922 11.311 1.00 0.00 O ATOM 0 H SER A 45 -5.541 11.706 10.174 1.00 0.00 H new ATOM 0 HA SER A 45 -3.189 13.338 9.606 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.214 13.251 12.443 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.826 14.117 11.816 1.00 0.00 H new ATOM 0 HG SER A 45 -5.603 14.650 11.316 1.00 0.00 H new ATOM 673 N LEU A 46 -3.305 11.012 11.963 1.00 0.00 N ATOM 674 CA LEU A 46 -2.671 9.759 12.432 1.00 0.00 C ATOM 675 C LEU A 46 -3.500 8.467 12.297 1.00 0.00 C ATOM 676 O LEU A 46 -2.950 7.373 12.442 1.00 0.00 O ATOM 677 CB LEU A 46 -2.096 9.897 13.852 1.00 0.00 C ATOM 678 CG LEU A 46 -3.114 10.075 14.986 1.00 0.00 C ATOM 679 CD1 LEU A 46 -2.488 9.578 16.290 1.00 0.00 C ATOM 680 CD2 LEU A 46 -3.512 11.543 15.158 1.00 0.00 C ATOM 0 H LEU A 46 -3.889 11.470 12.663 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.857 9.625 11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.498 9.011 14.066 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.418 10.750 13.865 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.009 9.505 14.737 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.201 9.699 17.105 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.226 8.525 16.190 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.589 10.156 16.506 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.234 11.632 15.970 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.627 12.135 15.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.958 11.910 14.234 1.00 0.00 H new ATOM 692 N LYS A 47 -4.796 8.596 11.984 1.00 0.00 N ATOM 693 CA LYS A 47 -5.704 7.450 11.739 1.00 0.00 C ATOM 694 C LYS A 47 -5.134 6.296 10.900 1.00 0.00 C ATOM 695 O LYS A 47 -5.279 5.144 11.300 1.00 0.00 O ATOM 696 CB LYS A 47 -7.020 7.897 11.100 1.00 0.00 C ATOM 697 CG LYS A 47 -8.120 8.065 12.148 1.00 0.00 C ATOM 698 CD LYS A 47 -9.448 8.414 11.472 1.00 0.00 C ATOM 699 CE LYS A 47 -10.589 8.557 12.482 1.00 0.00 C ATOM 700 NZ LYS A 47 -10.409 9.689 13.404 1.00 0.00 N ATOM 0 H LYS A 47 -5.255 9.502 11.891 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.859 7.055 12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.869 8.840 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.333 7.164 10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.227 7.145 12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.845 8.851 12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.338 9.345 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.700 7.639 10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.529 8.681 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.672 7.636 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.245 9.773 14.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.565 9.529 13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.290 10.566 12.858 1.00 0.00 H new ATOM 714 N ALA A 48 -4.328 6.629 9.890 1.00 0.00 N ATOM 715 CA ALA A 48 -3.627 5.644 9.039 1.00 0.00 C ATOM 716 C ALA A 48 -2.855 4.568 9.826 1.00 0.00 C ATOM 717 O ALA A 48 -3.004 3.388 9.521 1.00 0.00 O ATOM 718 CB ALA A 48 -2.686 6.378 8.081 1.00 0.00 C ATOM 0 H ALA A 48 -4.137 7.597 9.631 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.398 5.107 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.168 5.653 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.263 7.056 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.955 6.948 8.654 1.00 0.00 H new ATOM 724 N MET A 49 -2.218 4.959 10.933 1.00 0.00 N ATOM 725 CA MET A 49 -1.504 4.027 11.836 1.00 0.00 C ATOM 726 C MET A 49 -2.449 3.125 12.651 1.00 0.00 C ATOM 727 O MET A 49 -2.285 1.906 12.670 1.00 0.00 O ATOM 728 CB MET A 49 -0.565 4.776 12.787 1.00 0.00 C ATOM 729 CG MET A 49 0.596 5.445 12.045 1.00 0.00 C ATOM 730 SD MET A 49 1.865 6.166 13.152 1.00 0.00 S ATOM 731 CE MET A 49 0.969 7.512 13.898 1.00 0.00 C ATOM 0 H MET A 49 -2.178 5.932 11.237 1.00 0.00 H new ATOM 0 HA MET A 49 -0.919 3.382 11.181 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.130 5.532 13.332 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.169 4.080 13.526 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.070 4.710 11.394 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.199 6.231 11.402 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.639 8.083 14.541 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.574 8.163 13.118 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.145 7.116 14.492 1.00 0.00 H new ATOM 741 N ALA A 50 -3.497 3.726 13.217 1.00 0.00 N ATOM 742 CA ALA A 50 -4.566 3.002 13.940 1.00 0.00 C ATOM 743 C ALA A 50 -5.312 2.001 13.036 1.00 0.00 C ATOM 744 O ALA A 50 -5.627 0.881 13.443 1.00 0.00 O ATOM 745 CB ALA A 50 -5.550 4.014 14.535 1.00 0.00 C ATOM 0 H ALA A 50 -3.637 4.736 13.191 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.098 2.422 14.736 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.339 3.484 15.068 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.023 4.671 15.227 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.990 4.608 13.734 1.00 0.00 H new ATOM 751 N VAL A 51 -5.544 2.407 11.790 1.00 0.00 N ATOM 752 CA VAL A 51 -6.113 1.515 10.759 1.00 0.00 C ATOM 753 C VAL A 51 -5.080 0.453 10.326 1.00 0.00 C ATOM 754 O VAL A 51 -5.413 -0.725 10.301 1.00 0.00 O ATOM 755 CB VAL A 51 -6.703 2.259 9.548 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.563 1.285 8.740 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.578 3.459 9.931 1.00 0.00 C ATOM 0 H VAL A 51 -5.348 3.352 11.460 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.960 1.011 11.225 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.858 2.640 8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.987 1.802 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.947 0.454 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.369 0.905 9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.959 3.934 9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.414 3.119 10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.984 4.177 10.496 1.00 0.00 H new ATOM 767 N ALA A 52 -3.818 0.837 10.133 1.00 0.00 N ATOM 768 CA ALA A 52 -2.717 -0.118 9.869 1.00 0.00 C ATOM 769 C ALA A 52 -2.630 -1.224 10.938 1.00 0.00 C ATOM 770 O ALA A 52 -2.537 -2.396 10.588 1.00 0.00 O ATOM 771 CB ALA A 52 -1.375 0.610 9.770 1.00 0.00 C ATOM 0 H ALA A 52 -3.521 1.812 10.153 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.942 -0.594 8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.582 -0.113 9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.413 1.334 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.172 1.128 10.707 1.00 0.00 H new ATOM 777 N ALA A 53 -2.866 -0.849 12.198 1.00 0.00 N ATOM 778 CA ALA A 53 -3.002 -1.797 13.325 1.00 0.00 C ATOM 779 C ALA A 53 -4.090 -2.859 13.075 1.00 0.00 C ATOM 780 O ALA A 53 -3.749 -4.031 12.929 1.00 0.00 O ATOM 781 CB ALA A 53 -3.256 -1.032 14.627 1.00 0.00 C ATOM 0 H ALA A 53 -2.970 0.127 12.475 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.062 -2.341 13.414 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.355 -1.739 15.451 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.420 -0.360 14.823 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.174 -0.452 14.535 1.00 0.00 H new ATOM 787 N GLN A 54 -5.337 -2.438 12.840 1.00 0.00 N ATOM 788 CA GLN A 54 -6.445 -3.367 12.507 1.00 0.00 C ATOM 789 C GLN A 54 -6.247 -4.130 11.178 1.00 0.00 C ATOM 790 O GLN A 54 -6.478 -5.336 11.115 1.00 0.00 O ATOM 791 CB GLN A 54 -7.820 -2.679 12.580 1.00 0.00 C ATOM 792 CG GLN A 54 -8.026 -1.569 11.543 1.00 0.00 C ATOM 793 CD GLN A 54 -9.358 -0.833 11.683 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.378 -1.219 11.137 1.00 0.00 O ATOM 795 NE2 GLN A 54 -9.348 0.277 12.388 1.00 0.00 N ATOM 0 H GLN A 54 -5.615 -1.457 12.872 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.421 -4.132 13.283 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.597 -3.432 12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.950 -2.258 13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.213 -0.848 11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.964 -2.002 10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.487 0.587 12.839 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.201 0.828 12.484 1.00 0.00 H new ATOM 804 N VAL A 55 -5.684 -3.450 10.183 1.00 0.00 N ATOM 805 CA VAL A 55 -5.320 -4.027 8.868 1.00 0.00 C ATOM 806 C VAL A 55 -4.190 -5.083 8.964 1.00 0.00 C ATOM 807 O VAL A 55 -4.047 -5.935 8.089 1.00 0.00 O ATOM 808 CB VAL A 55 -5.088 -2.899 7.835 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.662 -3.399 6.452 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.387 -2.118 7.607 1.00 0.00 C ATOM 0 H VAL A 55 -5.458 -2.458 10.259 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.162 -4.608 8.493 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.289 -2.292 8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.519 -2.548 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.728 -3.954 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.435 -4.052 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.212 -1.326 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.156 -2.793 7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.717 -1.678 8.548 1.00 0.00 H new ATOM 820 N HIS A 56 -3.377 -4.990 10.013 1.00 0.00 N ATOM 821 CA HIS A 56 -2.387 -6.026 10.363 1.00 0.00 C ATOM 822 C HIS A 56 -2.988 -7.131 11.259 1.00 0.00 C ATOM 823 O HIS A 56 -3.142 -8.257 10.805 1.00 0.00 O ATOM 824 CB HIS A 56 -1.179 -5.335 11.012 1.00 0.00 C ATOM 825 CG HIS A 56 0.132 -6.135 11.017 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.236 -5.758 11.659 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.439 -7.210 10.291 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.220 -6.586 11.325 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.727 -7.480 10.476 1.00 0.00 N ATOM 0 H HIS A 56 -3.380 -4.195 10.651 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.064 -6.542 9.459 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.004 -4.392 10.495 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.436 -5.090 12.043 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.241 -7.765 9.662 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.239 -6.540 11.681 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.247 -8.242 10.041 1.00 0.00 H new ATOM 838 N ARG A 57 -3.519 -6.764 12.425 1.00 0.00 N ATOM 839 CA ARG A 57 -4.027 -7.735 13.425 1.00 0.00 C ATOM 840 C ARG A 57 -5.303 -8.520 13.047 1.00 0.00 C ATOM 841 O ARG A 57 -5.400 -9.713 13.329 1.00 0.00 O ATOM 842 CB ARG A 57 -4.134 -7.072 14.811 1.00 0.00 C ATOM 843 CG ARG A 57 -5.198 -5.974 14.953 1.00 0.00 C ATOM 844 CD ARG A 57 -6.514 -6.529 15.501 1.00 0.00 C ATOM 845 NE ARG A 57 -7.602 -5.560 15.280 1.00 0.00 N ATOM 846 CZ ARG A 57 -8.868 -5.692 15.686 1.00 0.00 C ATOM 847 NH1 ARG A 57 -9.234 -6.614 16.567 1.00 0.00 N ATOM 848 NH2 ARG A 57 -9.773 -4.790 15.336 1.00 0.00 N ATOM 0 H ARG A 57 -3.614 -5.790 12.713 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.273 -8.522 13.451 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.341 -7.848 15.548 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.164 -6.644 15.063 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.828 -5.193 15.617 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.375 -5.511 13.982 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.752 -7.473 15.011 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.414 -6.739 16.566 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.367 -4.709 14.769 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.539 -7.251 16.957 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.210 -6.686 16.854 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.503 -3.995 14.757 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.740 -4.891 15.646 1.00 0.00 H new ATOM 862 N GLU A 58 -6.236 -7.846 12.376 1.00 0.00 N ATOM 863 CA GLU A 58 -7.561 -8.394 12.009 1.00 0.00 C ATOM 864 C GLU A 58 -7.651 -8.711 10.504 1.00 0.00 C ATOM 865 O GLU A 58 -8.262 -9.702 10.117 1.00 0.00 O ATOM 866 CB GLU A 58 -8.626 -7.357 12.396 1.00 0.00 C ATOM 867 CG GLU A 58 -10.073 -7.836 12.232 1.00 0.00 C ATOM 868 CD GLU A 58 -11.077 -6.681 12.331 1.00 0.00 C ATOM 869 OE1 GLU A 58 -10.861 -5.662 11.633 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.106 -6.880 13.014 1.00 0.00 O ATOM 0 H GLU A 58 -6.099 -6.885 12.062 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.721 -9.331 12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.469 -7.065 13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.482 -6.464 11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.184 -8.330 11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.298 -8.578 12.998 1.00 0.00 H new ATOM 877 N TYR A 59 -7.201 -7.761 9.683 1.00 0.00 N ATOM 878 CA TYR A 59 -7.155 -7.915 8.216 1.00 0.00 C ATOM 879 C TYR A 59 -6.015 -8.811 7.700 1.00 0.00 C ATOM 880 O TYR A 59 -6.128 -9.391 6.624 1.00 0.00 O ATOM 881 CB TYR A 59 -7.058 -6.553 7.522 1.00 0.00 C ATOM 882 CG TYR A 59 -8.339 -5.714 7.445 1.00 0.00 C ATOM 883 CD1 TYR A 59 -9.212 -5.552 8.516 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.594 -5.054 6.250 1.00 0.00 C ATOM 885 CE1 TYR A 59 -10.329 -4.740 8.387 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.715 -4.249 6.114 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.580 -4.085 7.186 1.00 0.00 C ATOM 888 OH TYR A 59 -11.661 -3.274 7.064 1.00 0.00 O ATOM 0 H TYR A 59 -6.856 -6.859 10.011 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.092 -8.414 7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.299 -5.964 8.037 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.699 -6.716 6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.020 -6.060 9.450 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.913 -5.169 5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.005 -4.616 9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.914 -3.751 5.176 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.382 -2.340 7.165 1.00 0.00 H new ATOM 898 N GLN A 60 -4.890 -8.786 8.418 1.00 0.00 N ATOM 899 CA GLN A 60 -3.630 -9.515 8.142 1.00 0.00 C ATOM 900 C GLN A 60 -2.827 -9.111 6.892 1.00 0.00 C ATOM 901 O GLN A 60 -1.604 -9.026 6.959 1.00 0.00 O ATOM 902 CB GLN A 60 -3.818 -11.034 8.269 1.00 0.00 C ATOM 903 CG GLN A 60 -4.192 -11.379 9.718 1.00 0.00 C ATOM 904 CD GLN A 60 -4.363 -12.875 9.996 1.00 0.00 C ATOM 905 OE1 GLN A 60 -4.872 -13.664 9.214 1.00 0.00 O ATOM 906 NE2 GLN A 60 -4.019 -13.267 11.203 1.00 0.00 N ATOM 0 H GLN A 60 -4.821 -8.222 9.265 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.969 -9.171 8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.599 -11.374 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.901 -11.551 7.985 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.421 -10.986 10.381 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.121 -10.868 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.594 -12.605 11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.177 -14.233 11.490 1.00 0.00 H new ATOM 915 N VAL A 61 -3.531 -8.667 5.852 1.00 0.00 N ATOM 916 CA VAL A 61 -2.953 -8.183 4.570 1.00 0.00 C ATOM 917 C VAL A 61 -1.960 -7.004 4.746 1.00 0.00 C ATOM 918 O VAL A 61 -1.093 -6.793 3.902 1.00 0.00 O ATOM 919 CB VAL A 61 -4.050 -7.790 3.547 1.00 0.00 C ATOM 920 CG1 VAL A 61 -3.495 -7.803 2.118 1.00 0.00 C ATOM 921 CG2 VAL A 61 -5.310 -8.665 3.573 1.00 0.00 C ATOM 0 H VAL A 61 -4.550 -8.627 5.864 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.390 -9.032 4.181 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.349 -6.788 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.283 -7.524 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.673 -7.092 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.134 -8.803 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.015 -8.309 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.040 -9.699 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.771 -8.610 4.559 1.00 0.00 H new ATOM 931 N GLU A 62 -2.178 -6.180 5.776 1.00 0.00 N ATOM 932 CA GLU A 62 -1.342 -5.015 6.158 1.00 0.00 C ATOM 933 C GLU A 62 -0.960 -4.063 4.997 1.00 0.00 C ATOM 934 O GLU A 62 0.178 -4.014 4.531 1.00 0.00 O ATOM 935 CB GLU A 62 -0.103 -5.496 6.933 1.00 0.00 C ATOM 936 CG GLU A 62 0.648 -4.331 7.593 1.00 0.00 C ATOM 937 CD GLU A 62 2.049 -4.690 8.097 1.00 0.00 C ATOM 938 OE1 GLU A 62 2.823 -5.299 7.327 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.374 -4.183 9.196 1.00 0.00 O ATOM 0 H GLU A 62 -2.975 -6.304 6.400 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.967 -4.397 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.408 -6.211 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.568 -6.022 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.731 -3.514 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.057 -3.961 8.431 1.00 0.00 H new ATOM 946 N LEU A 63 -1.914 -3.210 4.629 1.00 0.00 N ATOM 947 CA LEU A 63 -1.667 -2.155 3.622 1.00 0.00 C ATOM 948 C LEU A 63 -2.354 -0.796 3.888 1.00 0.00 C ATOM 949 O LEU A 63 -3.419 -0.501 3.332 1.00 0.00 O ATOM 950 CB LEU A 63 -1.858 -2.691 2.188 1.00 0.00 C ATOM 951 CG LEU A 63 -3.269 -3.026 1.679 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.141 -3.464 0.221 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.981 -4.127 2.469 1.00 0.00 C ATOM 0 H LEU A 63 -2.862 -3.220 5.004 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.614 -1.895 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.433 -1.954 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.256 -3.595 2.096 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.879 -2.131 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.127 -3.710 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.708 -2.654 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.497 -4.341 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.969 -4.300 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.398 -5.047 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.083 -3.820 3.510 1.00 0.00 H new ATOM 965 N PRO A 64 -1.730 0.054 4.723 1.00 0.00 N ATOM 966 CA PRO A 64 -2.204 1.431 4.977 1.00 0.00 C ATOM 967 C PRO A 64 -2.140 2.278 3.698 1.00 0.00 C ATOM 968 O PRO A 64 -1.388 1.964 2.778 1.00 0.00 O ATOM 969 CB PRO A 64 -1.296 1.974 6.082 1.00 0.00 C ATOM 970 CG PRO A 64 -0.001 1.184 5.901 1.00 0.00 C ATOM 971 CD PRO A 64 -0.485 -0.204 5.477 1.00 0.00 C ATOM 0 HA PRO A 64 -3.249 1.458 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.130 3.046 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.728 1.816 7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.641 1.634 5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.576 1.143 6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.256 -0.711 4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.669 -0.842 6.342 1.00 0.00 H new ATOM 979 N LEU A 65 -3.021 3.277 3.652 1.00 0.00 N ATOM 980 CA LEU A 65 -3.324 4.168 2.504 1.00 0.00 C ATOM 981 C LEU A 65 -3.856 3.493 1.224 1.00 0.00 C ATOM 982 O LEU A 65 -4.898 3.902 0.717 1.00 0.00 O ATOM 983 CB LEU A 65 -2.226 5.214 2.222 1.00 0.00 C ATOM 984 CG LEU A 65 -0.882 4.710 1.677 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.866 4.668 0.146 1.00 0.00 C ATOM 986 CD2 LEU A 65 0.259 5.574 2.213 1.00 0.00 C ATOM 0 H LEU A 65 -3.588 3.511 4.467 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.193 4.716 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.626 5.937 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.031 5.753 3.149 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.742 3.686 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.103 4.306 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.650 3.999 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.039 5.670 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.208 5.208 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.111 6.607 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.273 5.524 3.302 1.00 0.00 H new ATOM 998 N LYS A 66 -3.282 2.349 0.858 1.00 0.00 N ATOM 999 CA LYS A 66 -3.685 1.536 -0.310 1.00 0.00 C ATOM 1000 C LYS A 66 -5.170 1.134 -0.245 1.00 0.00 C ATOM 1001 O LYS A 66 -6.002 1.769 -0.895 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.782 0.303 -0.437 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.324 0.659 -0.739 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.475 -0.609 -0.837 1.00 0.00 C ATOM 1005 CE LYS A 66 0.983 -0.279 -1.156 1.00 0.00 C ATOM 1006 NZ LYS A 66 1.786 -1.507 -1.246 1.00 0.00 N ATOM 0 H LYS A 66 -2.501 1.942 1.373 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.562 2.150 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.826 -0.270 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.165 -0.341 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.265 1.217 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.932 1.307 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.528 -1.158 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.880 -1.261 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.040 0.268 -2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.391 0.372 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.773 -1.261 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.747 -2.014 -0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.407 -2.115 -1.999 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.515 0.291 0.728 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.917 -0.128 0.959 1.00 0.00 C ATOM 1022 C VAL A 67 -7.793 0.949 1.655 1.00 0.00 C ATOM 1023 O VAL A 67 -8.951 0.711 1.977 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.894 -1.490 1.685 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.609 -1.407 3.193 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -8.143 -2.313 1.363 1.00 0.00 C ATOM 0 H VAL A 67 -4.846 -0.123 1.378 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.418 -0.246 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.031 -2.022 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.612 -2.410 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.634 -0.947 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.379 -0.805 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.096 -3.266 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.031 -1.766 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.193 -2.494 0.289 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.290 2.181 1.696 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.891 3.279 2.483 1.00 0.00 C ATOM 1038 C LEU A 68 -8.263 4.558 1.716 1.00 0.00 C ATOM 1039 O LEU A 68 -9.142 5.300 2.149 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.955 3.624 3.647 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.844 2.509 4.693 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -5.808 2.905 5.747 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -8.200 2.229 5.350 1.00 0.00 C ATOM 0 H LEU A 68 -6.451 2.457 1.186 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.851 2.889 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.962 3.841 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.311 4.533 4.132 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.525 1.593 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.727 2.114 6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.840 3.053 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.118 3.830 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.090 1.434 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.559 3.133 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.917 1.921 4.589 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.435 4.882 0.729 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.642 6.004 -0.206 1.00 0.00 C ATOM 1057 C PHE A 69 -8.024 5.492 -1.604 1.00 0.00 C ATOM 1058 O PHE A 69 -9.008 5.948 -2.177 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.359 6.843 -0.275 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.128 7.690 0.983 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.673 7.117 2.166 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.363 9.059 0.927 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.449 7.910 3.286 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.134 9.851 2.044 1.00 0.00 C ATOM 1065 CZ PHE A 69 -5.678 9.279 3.225 1.00 0.00 C ATOM 0 H PHE A 69 -6.576 4.364 0.544 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.464 6.622 0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.506 6.181 -0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.407 7.499 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.493 6.053 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.724 9.507 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.097 7.462 4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.311 10.915 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.502 9.897 4.093 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.266 4.515 -2.109 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.619 3.782 -3.344 1.00 0.00 C ATOM 1077 C ALA A 70 -8.849 2.870 -3.166 1.00 0.00 C ATOM 1078 O ALA A 70 -9.614 2.665 -4.105 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.416 2.968 -3.831 1.00 0.00 C ATOM 0 H ALA A 70 -6.393 4.205 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.887 4.526 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.684 2.431 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.582 3.639 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.124 2.254 -3.061 1.00 0.00 H new ATOM 1085 N GLN A 71 -8.977 2.282 -1.975 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.146 1.453 -1.604 1.00 0.00 C ATOM 1087 C GLN A 71 -10.927 1.948 -0.357 1.00 0.00 C ATOM 1088 O GLN A 71 -11.310 1.131 0.483 1.00 0.00 O ATOM 1089 CB GLN A 71 -9.667 0.000 -1.479 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.392 -0.604 -2.859 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.688 -1.957 -2.778 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -9.291 -3.009 -2.617 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.381 -1.934 -2.923 1.00 0.00 N ATOM 0 H GLN A 71 -8.279 2.361 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.892 1.537 -2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.761 -0.038 -0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.421 -0.593 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.334 -0.720 -3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.779 0.086 -3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.898 -1.045 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.850 -2.805 -2.902 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.394 3.212 -0.362 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.914 3.918 0.835 1.00 0.00 C ATOM 1104 C PRO A 72 -13.331 3.525 1.308 1.00 0.00 C ATOM 1105 O PRO A 72 -13.966 4.249 2.077 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.862 5.384 0.405 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.277 5.324 -1.064 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.606 4.045 -1.565 1.00 0.00 C ATOM 0 HA PRO A 72 -11.317 3.662 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.542 6.001 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.864 5.805 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.360 5.280 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.935 6.200 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.235 3.531 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.661 4.266 -2.061 1.00 0.00 H new ATOM 1116 N THR A 73 -13.741 2.309 0.963 1.00 0.00 N ATOM 1117 CA THR A 73 -15.093 1.765 1.213 1.00 0.00 C ATOM 1118 C THR A 73 -14.994 0.355 1.806 1.00 0.00 C ATOM 1119 O THR A 73 -14.227 -0.480 1.318 1.00 0.00 O ATOM 1120 CB THR A 73 -15.978 1.780 -0.055 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.219 1.108 0.191 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.307 1.199 -1.307 1.00 0.00 C ATOM 0 H THR A 73 -13.131 1.645 0.486 1.00 0.00 H new ATOM 0 HA THR A 73 -15.582 2.417 1.937 1.00 0.00 H new ATOM 0 HB THR A 73 -16.154 2.834 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.535 1.325 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.999 1.250 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.411 1.774 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.034 0.160 -1.124 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.881 0.076 2.757 1.00 0.00 N ATOM 1131 CA ILE A 74 -15.947 -1.247 3.409 1.00 0.00 C ATOM 1132 C ILE A 74 -16.304 -2.388 2.430 1.00 0.00 C ATOM 1133 O ILE A 74 -15.843 -3.509 2.612 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.766 -1.167 4.715 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.163 -2.010 5.853 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.266 -1.414 4.541 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.061 -3.533 5.667 1.00 0.00 C ATOM 0 H ILE A 74 -16.570 0.745 3.101 1.00 0.00 H new ATOM 0 HA ILE A 74 -14.947 -1.539 3.729 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.686 -0.123 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.159 -1.633 6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.753 -1.825 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.762 -1.338 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.681 -0.670 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.425 -2.410 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.615 -3.979 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.057 -3.948 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.438 -3.753 4.800 1.00 0.00 H new ATOM 1149 N LYS A 75 -16.933 -2.043 1.305 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.189 -2.988 0.195 1.00 0.00 C ATOM 1151 C LYS A 75 -15.866 -3.595 -0.325 1.00 0.00 C ATOM 1152 O LYS A 75 -15.644 -4.803 -0.219 1.00 0.00 O ATOM 1153 CB LYS A 75 -17.939 -2.219 -0.903 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.512 -3.085 -2.032 1.00 0.00 C ATOM 1155 CD LYS A 75 -19.635 -4.010 -1.549 1.00 0.00 C ATOM 1156 CE LYS A 75 -20.379 -4.679 -2.710 1.00 0.00 C ATOM 1157 NZ LYS A 75 -19.525 -5.576 -3.505 1.00 0.00 N ATOM 0 H LYS A 75 -17.283 -1.101 1.129 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.797 -3.827 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.756 -1.664 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.261 -1.485 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.892 -2.439 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.713 -3.685 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.216 -4.778 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.342 -3.437 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -21.222 -5.246 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.791 -3.908 -3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.085 -5.997 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.734 -5.035 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.152 -6.331 -2.895 1.00 0.00 H new ATOM 1171 N ALA A 76 -14.920 -2.710 -0.640 1.00 0.00 N ATOM 1172 CA ALA A 76 -13.554 -3.072 -1.069 1.00 0.00 C ATOM 1173 C ALA A 76 -12.693 -3.662 0.064 1.00 0.00 C ATOM 1174 O ALA A 76 -11.993 -4.653 -0.150 1.00 0.00 O ATOM 1175 CB ALA A 76 -12.874 -1.845 -1.677 1.00 0.00 C ATOM 0 H ALA A 76 -15.076 -1.703 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.647 -3.861 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.865 -2.108 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.447 -1.500 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.824 -1.050 -0.933 1.00 0.00 H new ATOM 1181 N LEU A 77 -12.839 -3.115 1.274 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.212 -3.668 2.497 1.00 0.00 C ATOM 1183 C LEU A 77 -12.602 -5.144 2.727 1.00 0.00 C ATOM 1184 O LEU A 77 -11.733 -6.013 2.782 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.592 -2.824 3.726 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.084 -1.374 3.702 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.734 -0.568 4.826 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.571 -1.305 3.904 1.00 0.00 C ATOM 0 H LEU A 77 -13.394 -2.276 1.443 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.132 -3.628 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.678 -2.811 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.203 -3.314 4.619 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.343 -0.964 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.366 0.458 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.816 -0.569 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.484 -1.017 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.248 -0.264 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.312 -1.744 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.072 -1.857 3.108 1.00 0.00 H new ATOM 1200 N ALA A 78 -13.902 -5.426 2.620 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.470 -6.789 2.685 1.00 0.00 C ATOM 1202 C ALA A 78 -13.953 -7.702 1.560 1.00 0.00 C ATOM 1203 O ALA A 78 -13.527 -8.815 1.850 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.001 -6.732 2.660 1.00 0.00 C ATOM 0 H ALA A 78 -14.610 -4.704 2.483 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.138 -7.225 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.404 -7.744 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.358 -6.158 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.332 -6.254 1.738 1.00 0.00 H new ATOM 1210 N GLN A 79 -13.868 -7.169 0.339 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.228 -7.835 -0.817 1.00 0.00 C ATOM 1212 C GLN A 79 -11.771 -8.271 -0.527 1.00 0.00 C ATOM 1213 O GLN A 79 -11.390 -9.400 -0.822 1.00 0.00 O ATOM 1214 CB GLN A 79 -13.329 -6.870 -2.011 1.00 0.00 C ATOM 1215 CG GLN A 79 -12.504 -7.257 -3.248 1.00 0.00 C ATOM 1216 CD GLN A 79 -11.551 -6.153 -3.739 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -11.209 -6.078 -4.910 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -11.082 -5.283 -2.867 1.00 0.00 N ATOM 0 H GLN A 79 -14.245 -6.249 0.114 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.747 -8.767 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.376 -6.792 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.015 -5.879 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.921 -8.149 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.185 -7.521 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.363 -5.340 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.438 -4.553 -3.171 1.00 0.00 H new ATOM 1227 N TYR A 80 -10.995 -7.384 0.089 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.601 -7.666 0.489 1.00 0.00 C ATOM 1229 C TYR A 80 -9.390 -8.637 1.662 1.00 0.00 C ATOM 1230 O TYR A 80 -8.309 -9.200 1.813 1.00 0.00 O ATOM 1231 CB TYR A 80 -8.833 -6.358 0.691 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.029 -5.927 -0.545 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -8.360 -6.306 -1.846 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -6.946 -5.084 -0.342 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -7.636 -5.826 -2.927 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.230 -4.588 -1.421 1.00 0.00 C ATOM 1237 CZ TYR A 80 -6.576 -4.956 -2.713 1.00 0.00 C ATOM 1238 OH TYR A 80 -5.982 -4.325 -3.756 1.00 0.00 O ATOM 0 H TYR A 80 -11.307 -6.443 0.330 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.191 -8.224 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.537 -5.568 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.154 -6.471 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.188 -6.979 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.659 -4.812 0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.896 -6.128 -3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.402 -3.915 -1.255 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.259 -3.753 -3.424 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.408 -8.784 2.504 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.362 -9.760 3.615 1.00 0.00 C ATOM 1250 C VAL A 81 -11.264 -10.991 3.441 1.00 0.00 C ATOM 1251 O VAL A 81 -10.779 -12.024 2.988 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.470 -9.126 5.013 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.157 -8.406 5.297 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.643 -8.156 5.200 1.00 0.00 C ATOM 0 H VAL A 81 -11.275 -8.249 2.449 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.349 -10.158 3.550 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.665 -9.937 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.201 -7.944 6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.336 -9.122 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.994 -7.636 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.632 -7.763 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.551 -7.332 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.581 -8.682 5.024 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.574 -10.776 3.534 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.608 -11.830 3.452 1.00 0.00 C ATOM 1266 C ALA A 82 -13.904 -12.229 1.989 1.00 0.00 C ATOM 1267 O ALA A 82 -14.996 -12.055 1.446 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.853 -11.331 4.197 1.00 0.00 C ATOM 0 H ALA A 82 -12.966 -9.844 3.672 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.252 -12.744 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.633 -12.091 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.599 -11.133 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.213 -10.414 3.731 1.00 0.00 H new ATOM 1274 N THR A 83 -12.833 -12.699 1.358 1.00 0.00 N ATOM 1275 CA THR A 83 -12.725 -13.159 -0.048 1.00 0.00 C ATOM 1276 C THR A 83 -11.395 -13.923 -0.209 1.00 0.00 C ATOM 1277 O THR A 83 -11.427 -15.112 -0.514 1.00 0.00 O ATOM 1278 CB THR A 83 -12.836 -11.996 -1.060 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.109 -11.354 -0.934 1.00 0.00 O ATOM 1280 CG2 THR A 83 -12.663 -12.434 -2.520 1.00 0.00 C ATOM 0 H THR A 83 -11.940 -12.780 1.843 1.00 0.00 H new ATOM 0 HA THR A 83 -13.563 -13.821 -0.268 1.00 0.00 H new ATOM 0 HB THR A 83 -12.021 -11.314 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.660 -11.844 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.753 -11.566 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.680 -12.886 -2.650 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.433 -13.162 -2.775 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.261 -13.256 0.036 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.936 -13.917 -0.058 1.00 0.00 C ATOM 1290 C ARG A 84 -8.116 -14.078 1.242 1.00 0.00 C ATOM 1291 O ARG A 84 -7.330 -15.016 1.349 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.069 -13.309 -1.178 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.441 -11.934 -0.901 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.422 -10.759 -0.954 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.848 -10.414 -2.325 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.101 -9.854 -3.281 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -6.918 -9.306 -3.029 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.618 -9.660 -4.485 1.00 0.00 N ATOM 0 H ARG A 84 -10.224 -12.271 0.298 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.215 -14.941 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.265 -14.010 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.682 -13.228 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.974 -11.955 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.647 -11.760 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.302 -11.002 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.958 -9.886 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.816 -10.626 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.550 -9.303 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.378 -8.888 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.580 -9.938 -4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.054 -9.233 -5.220 1.00 0.00 H new ATOM 1312 N SER A 85 -8.314 -13.187 2.216 1.00 0.00 N ATOM 1313 CA SER A 85 -7.541 -13.114 3.485 1.00 0.00 C ATOM 1314 C SER A 85 -6.006 -13.064 3.346 1.00 0.00 C ATOM 1315 O SER A 85 -5.497 -11.926 3.267 1.00 0.00 O ATOM 1316 CB SER A 85 -7.946 -14.214 4.475 1.00 0.00 C ATOM 1317 OG SER A 85 -9.305 -14.039 4.887 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.359 -14.137 3.340 1.00 99.99 O ATOM 0 H SER A 85 -9.036 -12.469 2.154 1.00 0.00 H new ATOM 0 HA SER A 85 -7.823 -12.138 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.823 -15.193 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.290 -14.189 5.345 1.00 0.00 H new ATOM 0 HG SER A 85 -9.737 -13.371 4.315 1.00 0.00 H new TER 1324 SER A 85