USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 52 SER OG : rot 85:sc= 1.19 USER MOD Set 1.2: A 81 TYR OH : rot -20:sc= 0.499 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc=-0.00539 X(o=-0.0054,f=-0.17) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.26) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 174:sc= 0.545 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.168 X(o=0.17,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.992 K(o=-0.99,f=-0.053) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0.266 (180deg=0.0691) USER MOD Single : A 53 GLN : amide:sc= 0.151 X(o=0.15,f=-0.2) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0103) USER MOD Single : A 57 LYS NZ :NH3+ -110:sc= 0.745 (180deg=-0.508) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0.778 (180deg=0.765) USER MOD Single : A 62 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD Single : A 63 CYS SG : rot 60:sc= -2.2! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 84:sc= 0.368 USER MOD Single : A 76 MET CE :methyl 178:sc= -2.27 (180deg=-2.38) USER MOD Single : A 77 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.6!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 16:sc= 0.169 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 91 TYR OH : rot 65:sc= 0.312 USER MOD Single : A 95 LYS NZ :NH3+ 126:sc= -0.334 (180deg=-2.19!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 144:sc= -2.52! (180deg=-3.19!) USER MOD Single : A 102 TYR OH : rot 30:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.395 12.898 -6.307 1.00 0.00 N ATOM 21 CA LEU A 2 -4.803 11.542 -6.149 1.00 0.00 C ATOM 22 C LEU A 2 -5.752 10.441 -6.649 1.00 0.00 C ATOM 23 O LEU A 2 -5.421 9.260 -6.578 1.00 0.00 O ATOM 24 CB LEU A 2 -4.390 11.236 -4.680 1.00 0.00 C ATOM 25 CG LEU A 2 -5.522 10.864 -3.658 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.956 10.023 -2.503 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.238 12.106 -3.104 1.00 0.00 C ATOM 0 HA LEU A 2 -3.903 11.544 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.674 10.414 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.864 12.108 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.260 10.275 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.757 9.776 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.524 9.104 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.185 10.591 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.012 11.797 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.517 12.743 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.693 12.660 -3.925 1.00 0.00 H new ATOM 39 N GLU A 3 -6.910 10.841 -7.185 1.00 0.00 N ATOM 40 CA GLU A 3 -7.977 9.905 -7.612 1.00 0.00 C ATOM 41 C GLU A 3 -7.490 9.106 -8.849 1.00 0.00 C ATOM 42 O GLU A 3 -7.893 7.966 -9.073 1.00 0.00 O ATOM 43 CB GLU A 3 -9.336 10.649 -7.927 1.00 0.00 C ATOM 44 CG GLU A 3 -9.443 12.115 -7.449 1.00 0.00 C ATOM 45 CD GLU A 3 -9.236 12.315 -5.933 1.00 0.00 C ATOM 46 OE1 GLU A 3 -9.989 11.723 -5.132 1.00 0.00 O ATOM 47 OE2 GLU A 3 -8.306 13.058 -5.543 1.00 0.00 O ATOM 0 H GLU A 3 -7.142 11.822 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.180 9.222 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.495 10.629 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.149 10.082 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.705 12.712 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.425 12.501 -7.722 1.00 0.00 H new ATOM 54 N ASP A 4 -6.605 9.756 -9.635 1.00 0.00 N ATOM 55 CA ASP A 4 -5.931 9.159 -10.812 1.00 0.00 C ATOM 56 C ASP A 4 -4.890 8.107 -10.367 1.00 0.00 C ATOM 57 O ASP A 4 -4.576 7.170 -11.105 1.00 0.00 O ATOM 58 CB ASP A 4 -5.219 10.270 -11.632 1.00 0.00 C ATOM 59 CG ASP A 4 -6.144 11.448 -11.978 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.330 12.335 -11.112 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.701 11.489 -13.100 1.00 0.00 O ATOM 0 H ASP A 4 -6.334 10.725 -9.468 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.685 8.672 -11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.364 10.640 -11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.828 9.839 -12.554 1.00 0.00 H new ATOM 66 N TYR A 5 -4.371 8.297 -9.136 1.00 0.00 N ATOM 67 CA TYR A 5 -3.348 7.414 -8.519 1.00 0.00 C ATOM 68 C TYR A 5 -3.992 6.151 -7.893 1.00 0.00 C ATOM 69 O TYR A 5 -3.285 5.307 -7.318 1.00 0.00 O ATOM 70 CB TYR A 5 -2.537 8.201 -7.439 1.00 0.00 C ATOM 71 CG TYR A 5 -1.661 9.348 -7.987 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.230 10.502 -8.543 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.265 9.276 -7.947 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.443 11.529 -9.032 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.523 10.301 -8.435 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.068 11.424 -8.976 1.00 0.00 C ATOM 77 OH TYR A 5 0.720 12.453 -9.454 1.00 0.00 O ATOM 0 H TYR A 5 -4.649 9.072 -8.534 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.670 7.086 -9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.236 8.614 -6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.897 7.499 -6.904 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.305 10.591 -8.591 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.207 8.401 -7.526 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.903 12.410 -9.456 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.599 10.223 -8.393 1.00 0.00 H new ATOM 0 HH TYR A 5 1.665 12.221 -9.340 1.00 0.00 H new ATOM 87 N ALA A 6 -5.337 6.053 -7.989 1.00 0.00 N ATOM 88 CA ALA A 6 -6.100 4.884 -7.521 1.00 0.00 C ATOM 89 C ALA A 6 -5.898 3.706 -8.476 1.00 0.00 C ATOM 90 O ALA A 6 -6.493 3.657 -9.564 1.00 0.00 O ATOM 91 CB ALA A 6 -7.594 5.224 -7.383 1.00 0.00 C ATOM 0 H ALA A 6 -5.920 6.785 -8.394 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.729 4.601 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.137 4.345 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.718 6.034 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.987 5.535 -8.351 1.00 0.00 H new ATOM 97 N ILE A 7 -5.010 2.794 -8.087 1.00 0.00 N ATOM 98 CA ILE A 7 -4.745 1.567 -8.829 1.00 0.00 C ATOM 99 C ILE A 7 -5.669 0.461 -8.297 1.00 0.00 C ATOM 100 O ILE A 7 -5.686 0.184 -7.093 1.00 0.00 O ATOM 101 CB ILE A 7 -3.234 1.136 -8.715 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.291 2.315 -9.135 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.958 -0.122 -9.576 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.805 1.996 -9.097 1.00 0.00 C ATOM 0 H ILE A 7 -4.450 2.888 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.946 1.740 -9.886 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.026 0.888 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.554 2.628 -10.145 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.482 3.164 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.909 -0.403 -9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.586 -0.944 -9.231 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.185 0.095 -10.620 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.236 2.874 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.519 1.715 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.593 1.170 -9.776 1.00 0.00 H new ATOM 116 N SER A 8 -6.468 -0.126 -9.198 1.00 0.00 N ATOM 117 CA SER A 8 -7.315 -1.285 -8.883 1.00 0.00 C ATOM 118 C SER A 8 -6.469 -2.575 -8.916 1.00 0.00 C ATOM 119 O SER A 8 -5.412 -2.612 -9.564 1.00 0.00 O ATOM 120 CB SER A 8 -8.477 -1.363 -9.897 1.00 0.00 C ATOM 121 OG SER A 8 -9.192 -0.137 -9.949 1.00 0.00 O ATOM 0 H SER A 8 -6.546 0.189 -10.165 1.00 0.00 H new ATOM 0 HA SER A 8 -7.732 -1.175 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.086 -1.602 -10.886 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.154 -2.171 -9.618 1.00 0.00 H new ATOM 0 HG SER A 8 -9.921 -0.211 -10.599 1.00 0.00 H new ATOM 127 N LEU A 9 -6.937 -3.632 -8.227 1.00 0.00 N ATOM 128 CA LEU A 9 -6.232 -4.935 -8.166 1.00 0.00 C ATOM 129 C LEU A 9 -6.162 -5.608 -9.565 1.00 0.00 C ATOM 130 O LEU A 9 -5.275 -6.425 -9.838 1.00 0.00 O ATOM 131 CB LEU A 9 -6.920 -5.850 -7.110 1.00 0.00 C ATOM 132 CG LEU A 9 -6.312 -7.275 -6.899 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.798 -7.215 -6.614 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.055 -8.033 -5.777 1.00 0.00 C ATOM 0 H LEU A 9 -7.809 -3.612 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.201 -4.767 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.906 -5.331 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.966 -5.967 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.446 -7.826 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.414 -8.225 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.288 -6.747 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.621 -6.630 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.612 -9.021 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.971 -7.476 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.107 -8.138 -6.043 1.00 0.00 H new ATOM 146 N GLU A 10 -7.076 -5.202 -10.454 1.00 0.00 N ATOM 147 CA GLU A 10 -7.165 -5.713 -11.835 1.00 0.00 C ATOM 148 C GLU A 10 -6.252 -4.940 -12.822 1.00 0.00 C ATOM 149 O GLU A 10 -6.328 -5.165 -14.036 1.00 0.00 O ATOM 150 CB GLU A 10 -8.643 -5.656 -12.293 1.00 0.00 C ATOM 151 CG GLU A 10 -9.279 -4.252 -12.255 1.00 0.00 C ATOM 152 CD GLU A 10 -10.782 -4.268 -12.567 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.152 -4.310 -13.763 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.600 -4.249 -11.621 1.00 0.00 O ATOM 0 H GLU A 10 -7.785 -4.501 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.808 -6.743 -11.840 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.708 -6.041 -13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.230 -6.323 -11.661 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.122 -3.814 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.771 -3.609 -12.974 1.00 0.00 H new ATOM 161 N GLU A 11 -5.383 -4.051 -12.304 1.00 0.00 N ATOM 162 CA GLU A 11 -4.451 -3.248 -13.138 1.00 0.00 C ATOM 163 C GLU A 11 -3.150 -2.929 -12.376 1.00 0.00 C ATOM 164 O GLU A 11 -2.411 -2.005 -12.748 1.00 0.00 O ATOM 165 CB GLU A 11 -5.155 -1.941 -13.608 1.00 0.00 C ATOM 166 CG GLU A 11 -5.771 -1.117 -12.463 1.00 0.00 C ATOM 167 CD GLU A 11 -6.541 0.132 -12.919 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.568 -0.021 -13.619 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.143 1.263 -12.555 1.00 0.00 O ATOM 0 H GLU A 11 -5.303 -3.866 -11.304 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.178 -3.836 -14.014 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.432 -1.322 -14.140 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.939 -2.198 -14.320 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.446 -1.757 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.975 -0.810 -11.784 1.00 0.00 H new ATOM 176 N VAL A 12 -2.854 -3.714 -11.326 1.00 0.00 N ATOM 177 CA VAL A 12 -1.651 -3.514 -10.490 1.00 0.00 C ATOM 178 C VAL A 12 -0.582 -4.574 -10.820 1.00 0.00 C ATOM 179 O VAL A 12 -0.907 -5.676 -11.267 1.00 0.00 O ATOM 180 CB VAL A 12 -2.011 -3.561 -8.955 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.434 -4.973 -8.494 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.868 -2.988 -8.073 1.00 0.00 C ATOM 0 H VAL A 12 -3.435 -4.500 -11.032 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.248 -2.526 -10.714 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.878 -2.914 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.671 -4.953 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.312 -5.291 -9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.617 -5.673 -8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.158 -3.039 -7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.039 -3.572 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.682 -1.950 -8.348 1.00 0.00 H new ATOM 192 N ASN A 13 0.686 -4.196 -10.646 1.00 0.00 N ATOM 193 CA ASN A 13 1.833 -5.116 -10.634 1.00 0.00 C ATOM 194 C ASN A 13 2.704 -4.709 -9.449 1.00 0.00 C ATOM 195 O ASN A 13 3.446 -3.747 -9.550 1.00 0.00 O ATOM 196 CB ASN A 13 2.643 -5.038 -11.960 1.00 0.00 C ATOM 197 CG ASN A 13 1.859 -5.517 -13.184 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.892 -6.697 -13.539 1.00 0.00 O ATOM 199 ND2 ASN A 13 1.136 -4.610 -13.831 1.00 0.00 N ATOM 0 H ASN A 13 0.953 -3.222 -10.506 1.00 0.00 H new ATOM 0 HA ASN A 13 1.492 -6.147 -10.542 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.961 -4.008 -12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.547 -5.638 -11.860 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.587 -4.882 -14.647 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.129 -3.641 -13.512 1.00 0.00 H new ATOM 206 N PHE A 14 2.578 -5.415 -8.319 1.00 0.00 N ATOM 207 CA PHE A 14 3.227 -5.017 -7.045 1.00 0.00 C ATOM 208 C PHE A 14 4.765 -4.947 -7.170 1.00 0.00 C ATOM 209 O PHE A 14 5.406 -4.069 -6.591 1.00 0.00 O ATOM 210 CB PHE A 14 2.807 -5.984 -5.915 1.00 0.00 C ATOM 211 CG PHE A 14 1.313 -5.936 -5.610 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.740 -4.783 -5.079 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.486 -7.028 -5.854 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.610 -4.728 -4.802 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.866 -6.969 -5.577 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.412 -5.822 -5.048 1.00 0.00 C ATOM 0 H PHE A 14 2.030 -6.273 -8.252 1.00 0.00 H new ATOM 0 HA PHE A 14 2.887 -4.011 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.082 -7.001 -6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.364 -5.740 -5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.360 -3.921 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.907 -7.934 -6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.040 -3.826 -4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.495 -7.824 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.468 -5.779 -4.826 1.00 0.00 H new ATOM 226 N ASN A 15 5.324 -5.856 -7.973 1.00 0.00 N ATOM 227 CA ASN A 15 6.775 -5.916 -8.268 1.00 0.00 C ATOM 228 C ASN A 15 7.269 -4.656 -9.026 1.00 0.00 C ATOM 229 O ASN A 15 8.450 -4.312 -8.958 1.00 0.00 O ATOM 230 CB ASN A 15 7.087 -7.199 -9.080 1.00 0.00 C ATOM 231 CG ASN A 15 6.374 -7.245 -10.437 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.228 -7.689 -10.542 1.00 0.00 O ATOM 233 ND2 ASN A 15 7.042 -6.784 -11.480 1.00 0.00 N ATOM 0 H ASN A 15 4.785 -6.582 -8.446 1.00 0.00 H new ATOM 0 HA ASN A 15 7.311 -5.945 -7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.163 -7.267 -9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.796 -8.071 -8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.611 -6.789 -12.404 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.989 -6.423 -11.361 1.00 0.00 H new ATOM 240 N ASP A 16 6.342 -3.988 -9.743 1.00 0.00 N ATOM 241 CA ASP A 16 6.629 -2.756 -10.514 1.00 0.00 C ATOM 242 C ASP A 16 6.883 -1.563 -9.571 1.00 0.00 C ATOM 243 O ASP A 16 7.683 -0.675 -9.884 1.00 0.00 O ATOM 244 CB ASP A 16 5.442 -2.430 -11.474 1.00 0.00 C ATOM 245 CG ASP A 16 5.680 -1.225 -12.402 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.744 -1.163 -13.054 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.794 -0.354 -12.517 1.00 0.00 O ATOM 0 H ASP A 16 5.369 -4.287 -9.805 1.00 0.00 H new ATOM 0 HA ASP A 16 7.529 -2.928 -11.104 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.235 -3.308 -12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.550 -2.241 -10.876 1.00 0.00 H new ATOM 252 N PHE A 17 6.207 -1.559 -8.406 1.00 0.00 N ATOM 253 CA PHE A 17 6.266 -0.436 -7.445 1.00 0.00 C ATOM 254 C PHE A 17 7.025 -0.853 -6.176 1.00 0.00 C ATOM 255 O PHE A 17 7.244 -2.044 -5.922 1.00 0.00 O ATOM 256 CB PHE A 17 4.832 0.031 -7.040 1.00 0.00 C ATOM 257 CG PHE A 17 3.823 0.047 -8.185 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.779 1.095 -9.096 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.933 -1.011 -8.355 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.888 1.073 -10.151 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.042 -1.025 -9.402 1.00 0.00 C ATOM 262 CZ PHE A 17 2.020 0.010 -10.298 1.00 0.00 C ATOM 0 H PHE A 17 5.608 -2.327 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 17 6.788 0.386 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.459 -0.625 -6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.897 1.033 -6.616 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.448 1.935 -8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.943 -1.832 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.870 1.887 -10.861 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.359 -1.853 -9.518 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.322 -0.005 -11.122 1.00 0.00 H new ATOM 272 N ILE A 18 7.426 0.155 -5.395 1.00 0.00 N ATOM 273 CA ILE A 18 7.860 -0.014 -4.007 1.00 0.00 C ATOM 274 C ILE A 18 6.590 -0.065 -3.136 1.00 0.00 C ATOM 275 O ILE A 18 5.965 0.971 -2.897 1.00 0.00 O ATOM 276 CB ILE A 18 8.768 1.185 -3.533 1.00 0.00 C ATOM 277 CG1 ILE A 18 9.931 1.466 -4.545 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.309 0.915 -2.113 1.00 0.00 C ATOM 279 CD1 ILE A 18 10.802 2.669 -4.200 1.00 0.00 C ATOM 0 H ILE A 18 7.458 1.123 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 18 8.450 -0.926 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 18 8.153 2.084 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.565 0.581 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.503 1.617 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.934 1.750 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.474 0.804 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.901 -0.000 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.579 2.785 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.186 3.568 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.265 2.516 -3.225 1.00 0.00 H new ATOM 291 N VAL A 19 6.192 -1.260 -2.680 1.00 0.00 N ATOM 292 CA VAL A 19 4.881 -1.441 -2.033 1.00 0.00 C ATOM 293 C VAL A 19 4.997 -1.178 -0.524 1.00 0.00 C ATOM 294 O VAL A 19 6.062 -1.353 0.083 1.00 0.00 O ATOM 295 CB VAL A 19 4.289 -2.875 -2.315 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.858 -3.046 -1.754 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.316 -3.187 -3.822 1.00 0.00 C ATOM 0 H VAL A 19 6.752 -2.110 -2.745 1.00 0.00 H new ATOM 0 HA VAL A 19 4.187 -0.718 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 19 4.926 -3.588 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.498 -4.051 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.870 -2.895 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.196 -2.313 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.903 -4.181 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.720 -2.448 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.344 -3.153 -4.182 1.00 0.00 H new ATOM 307 N VAL A 20 3.890 -0.712 0.057 1.00 0.00 N ATOM 308 CA VAL A 20 3.748 -0.483 1.492 1.00 0.00 C ATOM 309 C VAL A 20 2.412 -1.075 1.958 1.00 0.00 C ATOM 310 O VAL A 20 1.369 -0.809 1.355 1.00 0.00 O ATOM 311 CB VAL A 20 3.796 1.050 1.837 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.440 1.316 3.313 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.167 1.674 1.483 1.00 0.00 C ATOM 0 H VAL A 20 3.049 -0.479 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 20 4.579 -0.966 2.006 1.00 0.00 H new ATOM 0 HB VAL A 20 3.039 1.534 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.485 2.387 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.433 0.951 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.150 0.798 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.160 2.734 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.952 1.171 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.355 1.557 0.416 1.00 0.00 H new ATOM 323 N ASP A 21 2.459 -1.901 3.007 1.00 0.00 N ATOM 324 CA ASP A 21 1.258 -2.359 3.717 1.00 0.00 C ATOM 325 C ASP A 21 0.809 -1.223 4.655 1.00 0.00 C ATOM 326 O ASP A 21 1.462 -0.996 5.666 1.00 0.00 O ATOM 327 CB ASP A 21 1.597 -3.654 4.522 1.00 0.00 C ATOM 328 CG ASP A 21 0.351 -4.398 5.041 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.248 -3.979 6.050 1.00 0.00 O ATOM 330 OD2 ASP A 21 -0.040 -5.404 4.413 1.00 0.00 O ATOM 0 H ASP A 21 3.329 -2.272 3.389 1.00 0.00 H new ATOM 0 HA ASP A 21 0.453 -2.598 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.174 -4.326 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.232 -3.391 5.368 1.00 0.00 H new ATOM 335 N VAL A 22 -0.265 -0.482 4.282 1.00 0.00 N ATOM 336 CA VAL A 22 -0.818 0.618 5.116 1.00 0.00 C ATOM 337 C VAL A 22 -2.039 0.118 5.900 1.00 0.00 C ATOM 338 O VAL A 22 -3.200 0.291 5.494 1.00 0.00 O ATOM 339 CB VAL A 22 -1.180 1.910 4.278 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.101 2.645 3.831 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.072 1.564 3.053 1.00 0.00 C ATOM 0 H VAL A 22 -0.767 -0.626 3.406 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.034 0.917 5.812 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.753 2.575 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.170 3.531 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.674 2.943 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.704 1.981 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.301 2.475 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.542 0.869 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.999 1.105 3.396 1.00 0.00 H new ATOM 351 N ARG A 23 -1.768 -0.537 7.029 1.00 0.00 N ATOM 352 CA ARG A 23 -2.815 -1.110 7.881 1.00 0.00 C ATOM 353 C ARG A 23 -2.392 -1.029 9.363 1.00 0.00 C ATOM 354 O ARG A 23 -2.606 0.004 10.016 1.00 0.00 O ATOM 355 CB ARG A 23 -3.155 -2.579 7.455 1.00 0.00 C ATOM 356 CG ARG A 23 -3.830 -2.748 6.069 1.00 0.00 C ATOM 357 CD ARG A 23 -4.236 -4.203 5.766 1.00 0.00 C ATOM 358 NE ARG A 23 -3.100 -5.128 5.569 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.176 -6.476 5.627 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.280 -7.086 6.056 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.116 -7.204 5.328 1.00 0.00 N ATOM 0 H ARG A 23 -0.822 -0.686 7.379 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.726 -0.526 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.233 -3.160 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.810 -3.013 8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.715 -2.113 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.147 -2.399 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.852 -4.573 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.857 -4.215 4.870 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.187 -4.717 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.087 -6.534 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.318 -8.105 6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.245 -6.749 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.168 -8.222 5.370 1.00 0.00 H new ATOM 375 N GLU A 24 -1.726 -2.089 9.857 1.00 0.00 N ATOM 376 CA GLU A 24 -1.467 -2.290 11.300 1.00 0.00 C ATOM 377 C GLU A 24 -0.479 -3.474 11.443 1.00 0.00 C ATOM 378 O GLU A 24 -0.260 -4.212 10.470 1.00 0.00 O ATOM 379 CB GLU A 24 -2.836 -2.560 12.052 1.00 0.00 C ATOM 380 CG GLU A 24 -2.945 -2.052 13.520 1.00 0.00 C ATOM 381 CD GLU A 24 -2.123 -2.852 14.548 1.00 0.00 C ATOM 382 OE1 GLU A 24 -2.388 -4.059 14.702 1.00 0.00 O ATOM 383 OE2 GLU A 24 -1.214 -2.283 15.202 1.00 0.00 O ATOM 0 H GLU A 24 -1.351 -2.833 9.268 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.023 -1.404 11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.637 -2.100 11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.018 -3.635 12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.625 -1.010 13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.993 -2.073 13.819 1.00 0.00 H new ATOM 390 N LEU A 25 0.120 -3.629 12.640 1.00 0.00 N ATOM 391 CA LEU A 25 1.013 -4.751 12.969 1.00 0.00 C ATOM 392 C LEU A 25 0.322 -6.102 12.707 1.00 0.00 C ATOM 393 O LEU A 25 0.806 -6.876 11.902 1.00 0.00 O ATOM 394 CB LEU A 25 1.472 -4.661 14.451 1.00 0.00 C ATOM 395 CG LEU A 25 2.478 -5.760 14.934 1.00 0.00 C ATOM 396 CD1 LEU A 25 3.773 -5.733 14.094 1.00 0.00 C ATOM 397 CD2 LEU A 25 2.788 -5.606 16.445 1.00 0.00 C ATOM 0 H LEU A 25 -0.005 -2.972 13.410 1.00 0.00 H new ATOM 0 HA LEU A 25 1.889 -4.686 12.324 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.930 -3.685 14.608 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.587 -4.704 15.086 1.00 0.00 H new ATOM 0 HG LEU A 25 2.007 -6.732 14.789 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.454 -6.506 14.450 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.531 -5.917 13.047 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.249 -4.757 14.191 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.489 -6.382 16.754 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.228 -4.626 16.628 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.865 -5.702 17.017 1.00 0.00 H new ATOM 409 N ASP A 26 -0.835 -6.329 13.363 1.00 0.00 N ATOM 410 CA ASP A 26 -1.622 -7.593 13.267 1.00 0.00 C ATOM 411 C ASP A 26 -1.923 -7.977 11.799 1.00 0.00 C ATOM 412 O ASP A 26 -1.848 -9.153 11.416 1.00 0.00 O ATOM 413 CB ASP A 26 -2.941 -7.440 14.074 1.00 0.00 C ATOM 414 CG ASP A 26 -3.842 -8.691 14.067 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.593 -9.623 14.864 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.808 -8.746 13.273 1.00 0.00 O ATOM 0 H ASP A 26 -1.260 -5.638 13.982 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.024 -8.401 13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.694 -7.191 15.106 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.505 -6.599 13.669 1.00 0.00 H new ATOM 421 N GLU A 27 -2.221 -6.950 11.003 1.00 0.00 N ATOM 422 CA GLU A 27 -2.531 -7.079 9.572 1.00 0.00 C ATOM 423 C GLU A 27 -1.297 -7.528 8.749 1.00 0.00 C ATOM 424 O GLU A 27 -1.416 -8.311 7.800 1.00 0.00 O ATOM 425 CB GLU A 27 -3.056 -5.722 9.079 1.00 0.00 C ATOM 426 CG GLU A 27 -4.378 -5.271 9.725 1.00 0.00 C ATOM 427 CD GLU A 27 -5.554 -6.194 9.380 1.00 0.00 C ATOM 428 OE1 GLU A 27 -6.021 -6.160 8.215 1.00 0.00 O ATOM 429 OE2 GLU A 27 -6.026 -6.944 10.258 1.00 0.00 O ATOM 0 H GLU A 27 -2.255 -5.987 11.337 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.286 -7.853 9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.297 -4.963 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.193 -5.772 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.255 -5.236 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.610 -4.257 9.398 1.00 0.00 H new ATOM 436 N TYR A 28 -0.122 -7.015 9.127 1.00 0.00 N ATOM 437 CA TYR A 28 1.170 -7.434 8.551 1.00 0.00 C ATOM 438 C TYR A 28 1.461 -8.914 8.895 1.00 0.00 C ATOM 439 O TYR A 28 1.929 -9.675 8.046 1.00 0.00 O ATOM 440 CB TYR A 28 2.284 -6.506 9.092 1.00 0.00 C ATOM 441 CG TYR A 28 3.731 -6.865 8.693 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.320 -6.326 7.548 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.521 -7.697 9.498 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.630 -6.607 7.221 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.828 -7.975 9.172 1.00 0.00 C ATOM 446 CZ TYR A 28 6.378 -7.429 8.034 1.00 0.00 C ATOM 447 OH TYR A 28 7.684 -7.704 7.703 1.00 0.00 O ATOM 0 H TYR A 28 -0.035 -6.294 9.844 1.00 0.00 H new ATOM 0 HA TYR A 28 1.134 -7.352 7.465 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.078 -5.491 8.752 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.222 -6.497 10.180 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.740 -5.678 6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.095 -8.128 10.392 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.068 -6.183 6.329 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.420 -8.619 9.806 1.00 0.00 H new ATOM 0 HH TYR A 28 8.074 -8.298 8.378 1.00 0.00 H new ATOM 457 N GLU A 29 1.138 -9.284 10.153 1.00 0.00 N ATOM 458 CA GLU A 29 1.472 -10.595 10.756 1.00 0.00 C ATOM 459 C GLU A 29 0.677 -11.758 10.121 1.00 0.00 C ATOM 460 O GLU A 29 1.181 -12.890 10.050 1.00 0.00 O ATOM 461 CB GLU A 29 1.193 -10.549 12.288 1.00 0.00 C ATOM 462 CG GLU A 29 1.955 -9.453 13.069 1.00 0.00 C ATOM 463 CD GLU A 29 3.443 -9.728 13.314 1.00 0.00 C ATOM 464 OE1 GLU A 29 4.277 -9.475 12.417 1.00 0.00 O ATOM 465 OE2 GLU A 29 3.786 -10.193 14.426 1.00 0.00 O ATOM 0 H GLU A 29 0.629 -8.671 10.790 1.00 0.00 H new ATOM 0 HA GLU A 29 2.529 -10.781 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.124 -10.403 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.447 -11.519 12.716 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.862 -8.513 12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.466 -9.313 14.033 1.00 0.00 H new ATOM 472 N GLU A 30 -0.579 -11.482 9.708 1.00 0.00 N ATOM 473 CA GLU A 30 -1.457 -12.508 9.100 1.00 0.00 C ATOM 474 C GLU A 30 -1.017 -12.845 7.659 1.00 0.00 C ATOM 475 O GLU A 30 -0.899 -14.032 7.310 1.00 0.00 O ATOM 476 CB GLU A 30 -2.956 -12.085 9.150 1.00 0.00 C ATOM 477 CG GLU A 30 -3.260 -10.668 8.624 1.00 0.00 C ATOM 478 CD GLU A 30 -4.753 -10.374 8.373 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.618 -10.922 9.096 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.067 -9.591 7.441 1.00 0.00 O ATOM 0 H GLU A 30 -1.008 -10.560 9.784 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.355 -13.415 9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.538 -12.802 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.301 -12.153 10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.877 -9.941 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.714 -10.517 7.693 1.00 0.00 H new ATOM 487 N LEU A 31 -0.781 -11.801 6.835 1.00 0.00 N ATOM 488 CA LEU A 31 -0.283 -11.945 5.449 1.00 0.00 C ATOM 489 C LEU A 31 0.093 -10.559 4.900 1.00 0.00 C ATOM 490 O LEU A 31 -0.570 -9.559 5.222 1.00 0.00 O ATOM 491 CB LEU A 31 -1.316 -12.655 4.496 1.00 0.00 C ATOM 492 CG LEU A 31 -2.503 -11.807 3.910 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.311 -12.617 2.871 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.430 -11.263 5.010 1.00 0.00 C ATOM 0 H LEU A 31 -0.931 -10.831 7.113 1.00 0.00 H new ATOM 0 HA LEU A 31 0.596 -12.589 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.760 -13.071 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.746 -13.495 5.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.055 -10.949 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.125 -12.003 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.657 -12.911 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.722 -13.508 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.234 -10.684 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.855 -12.095 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.859 -10.624 5.684 1.00 0.00 H new ATOM 506 N HIS A 32 1.153 -10.498 4.079 1.00 0.00 N ATOM 507 CA HIS A 32 1.523 -9.266 3.346 1.00 0.00 C ATOM 508 C HIS A 32 2.414 -9.625 2.143 1.00 0.00 C ATOM 509 O HIS A 32 2.969 -10.719 2.079 1.00 0.00 O ATOM 510 CB HIS A 32 2.229 -8.224 4.278 1.00 0.00 C ATOM 511 CG HIS A 32 3.678 -8.527 4.578 1.00 0.00 C ATOM 512 ND1 HIS A 32 4.078 -9.593 5.331 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.815 -7.931 4.152 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.393 -9.659 5.340 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.864 -8.657 4.633 1.00 0.00 N ATOM 0 H HIS A 32 1.774 -11.288 3.902 1.00 0.00 H new ATOM 0 HA HIS A 32 0.608 -8.797 2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.166 -7.240 3.813 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.681 -8.168 5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.880 -7.042 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.984 -10.410 5.843 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.851 -8.456 4.471 1.00 0.00 H new ATOM 524 N LEU A 33 2.547 -8.679 1.210 1.00 0.00 N ATOM 525 CA LEU A 33 3.387 -8.829 0.002 1.00 0.00 C ATOM 526 C LEU A 33 4.888 -8.781 0.356 1.00 0.00 C ATOM 527 O LEU A 33 5.272 -8.054 1.265 1.00 0.00 O ATOM 528 CB LEU A 33 3.037 -7.685 -0.974 1.00 0.00 C ATOM 529 CG LEU A 33 1.598 -7.734 -1.560 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.128 -6.337 -1.983 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.499 -8.734 -2.740 1.00 0.00 C ATOM 0 H LEU A 33 2.074 -7.777 1.265 1.00 0.00 H new ATOM 0 HA LEU A 33 3.189 -9.798 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.170 -6.734 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.749 -7.702 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 33 0.935 -8.089 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.119 -6.400 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.130 -5.675 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.801 -5.941 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.479 -8.742 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.184 -8.431 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.764 -9.733 -2.394 1.00 0.00 H new ATOM 543 N PRO A 34 5.769 -9.519 -0.389 1.00 0.00 N ATOM 544 CA PRO A 34 7.228 -9.529 -0.114 1.00 0.00 C ATOM 545 C PRO A 34 7.896 -8.165 -0.415 1.00 0.00 C ATOM 546 O PRO A 34 9.005 -7.891 0.052 1.00 0.00 O ATOM 547 CB PRO A 34 7.764 -10.657 -1.037 1.00 0.00 C ATOM 548 CG PRO A 34 6.753 -10.782 -2.142 1.00 0.00 C ATOM 549 CD PRO A 34 5.417 -10.389 -1.546 1.00 0.00 C ATOM 0 HA PRO A 34 7.451 -9.703 0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.749 -10.407 -1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.868 -11.595 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.011 -10.133 -2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.722 -11.801 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.800 -9.857 -2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.851 -11.264 -1.227 1.00 0.00 H new ATOM 557 N ASN A 35 7.194 -7.323 -1.199 1.00 0.00 N ATOM 558 CA ASN A 35 7.651 -5.966 -1.565 1.00 0.00 C ATOM 559 C ASN A 35 6.982 -4.891 -0.671 1.00 0.00 C ATOM 560 O ASN A 35 7.196 -3.689 -0.899 1.00 0.00 O ATOM 561 CB ASN A 35 7.332 -5.692 -3.067 1.00 0.00 C ATOM 562 CG ASN A 35 7.969 -6.716 -4.022 1.00 0.00 C ATOM 563 OD1 ASN A 35 9.109 -6.553 -4.460 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.239 -7.779 -4.348 1.00 0.00 N ATOM 0 H ASN A 35 6.288 -7.566 -1.599 1.00 0.00 H new ATOM 0 HA ASN A 35 8.728 -5.910 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.251 -5.697 -3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.683 -4.694 -3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.620 -8.486 -4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.298 -7.887 -3.970 1.00 0.00 H new ATOM 571 N ALA A 36 6.188 -5.327 0.350 1.00 0.00 N ATOM 572 CA ALA A 36 5.370 -4.421 1.201 1.00 0.00 C ATOM 573 C ALA A 36 6.084 -4.051 2.519 1.00 0.00 C ATOM 574 O ALA A 36 6.492 -4.932 3.286 1.00 0.00 O ATOM 575 CB ALA A 36 3.993 -5.043 1.503 1.00 0.00 C ATOM 0 H ALA A 36 6.100 -6.311 0.602 1.00 0.00 H new ATOM 0 HA ALA A 36 5.229 -3.502 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.415 -4.361 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.461 -5.220 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.128 -5.989 2.028 1.00 0.00 H new ATOM 581 N THR A 37 6.208 -2.733 2.761 1.00 0.00 N ATOM 582 CA THR A 37 6.778 -2.159 3.994 1.00 0.00 C ATOM 583 C THR A 37 5.683 -2.005 5.078 1.00 0.00 C ATOM 584 O THR A 37 4.583 -1.547 4.768 1.00 0.00 O ATOM 585 CB THR A 37 7.395 -0.759 3.664 1.00 0.00 C ATOM 586 OG1 THR A 37 8.325 -0.892 2.580 1.00 0.00 O ATOM 587 CG2 THR A 37 8.101 -0.111 4.870 1.00 0.00 C ATOM 0 H THR A 37 5.909 -2.023 2.092 1.00 0.00 H new ATOM 0 HA THR A 37 7.550 -2.826 4.377 1.00 0.00 H new ATOM 0 HB THR A 37 6.570 -0.103 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.633 -0.004 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.507 0.857 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.385 0.027 5.680 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.911 -0.757 5.208 1.00 0.00 H new ATOM 595 N LEU A 38 5.987 -2.380 6.341 1.00 0.00 N ATOM 596 CA LEU A 38 5.039 -2.223 7.471 1.00 0.00 C ATOM 597 C LEU A 38 4.938 -0.729 7.832 1.00 0.00 C ATOM 598 O LEU A 38 5.879 -0.152 8.400 1.00 0.00 O ATOM 599 CB LEU A 38 5.502 -3.049 8.722 1.00 0.00 C ATOM 600 CG LEU A 38 4.396 -3.529 9.748 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.031 -4.255 10.955 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.443 -2.413 10.230 1.00 0.00 C ATOM 0 H LEU A 38 6.881 -2.794 6.605 1.00 0.00 H new ATOM 0 HA LEU A 38 4.063 -2.602 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.029 -3.933 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.227 -2.447 9.270 1.00 0.00 H new ATOM 0 HG LEU A 38 3.776 -4.229 9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.247 -4.573 11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.583 -5.128 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.712 -3.577 11.470 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.718 -2.830 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.019 -1.632 10.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.918 -1.988 9.374 1.00 0.00 H new ATOM 614 N ILE A 39 3.818 -0.102 7.459 1.00 0.00 N ATOM 615 CA ILE A 39 3.452 1.241 7.929 1.00 0.00 C ATOM 616 C ILE A 39 1.970 1.225 8.327 1.00 0.00 C ATOM 617 O ILE A 39 1.141 0.617 7.661 1.00 0.00 O ATOM 618 CB ILE A 39 3.706 2.372 6.850 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.187 2.343 6.337 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.358 3.769 7.418 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.581 3.423 5.326 1.00 0.00 C ATOM 0 H ILE A 39 3.136 -0.512 6.820 1.00 0.00 H new ATOM 0 HA ILE A 39 4.090 1.482 8.780 1.00 0.00 H new ATOM 0 HB ILE A 39 3.049 2.172 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.848 2.425 7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.372 1.369 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.541 4.527 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.308 3.793 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.980 3.972 8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.627 3.297 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.956 3.334 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.440 4.408 5.772 1.00 0.00 H new ATOM 633 N SER A 40 1.642 1.872 9.434 1.00 0.00 N ATOM 634 CA SER A 40 0.242 2.096 9.806 1.00 0.00 C ATOM 635 C SER A 40 -0.250 3.374 9.113 1.00 0.00 C ATOM 636 O SER A 40 0.482 4.369 9.063 1.00 0.00 O ATOM 637 CB SER A 40 0.082 2.197 11.334 1.00 0.00 C ATOM 638 OG SER A 40 0.530 1.014 11.969 1.00 0.00 O ATOM 0 H SER A 40 2.320 2.253 10.094 1.00 0.00 H new ATOM 0 HA SER A 40 -0.361 1.249 9.480 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.647 3.051 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.964 2.374 11.583 1.00 0.00 H new ATOM 0 HG SER A 40 0.420 1.102 12.939 1.00 0.00 H new ATOM 644 N VAL A 41 -1.480 3.313 8.567 1.00 0.00 N ATOM 645 CA VAL A 41 -2.193 4.461 7.965 1.00 0.00 C ATOM 646 C VAL A 41 -2.139 5.738 8.852 1.00 0.00 C ATOM 647 O VAL A 41 -2.075 6.851 8.336 1.00 0.00 O ATOM 648 CB VAL A 41 -3.692 4.055 7.671 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.400 3.538 8.956 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.484 5.212 7.004 1.00 0.00 C ATOM 0 H VAL A 41 -2.018 2.447 8.530 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.685 4.711 7.034 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.671 3.233 6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.429 3.267 8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.872 2.663 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.396 4.321 9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.509 4.892 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.488 6.078 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.011 5.479 6.059 1.00 0.00 H new ATOM 660 N ASN A 42 -2.107 5.542 10.185 1.00 0.00 N ATOM 661 CA ASN A 42 -2.088 6.622 11.179 1.00 0.00 C ATOM 662 C ASN A 42 -0.742 7.394 11.158 1.00 0.00 C ATOM 663 O ASN A 42 -0.721 8.622 11.315 1.00 0.00 O ATOM 664 CB ASN A 42 -2.397 5.999 12.581 1.00 0.00 C ATOM 665 CG ASN A 42 -1.743 6.717 13.765 1.00 0.00 C ATOM 666 OD1 ASN A 42 -2.307 7.633 14.366 1.00 0.00 O ATOM 667 ND2 ASN A 42 -0.537 6.296 14.096 1.00 0.00 N ATOM 0 H ASN A 42 -2.094 4.612 10.603 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.852 7.362 10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.477 5.994 12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.070 4.959 12.580 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.040 6.732 14.873 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.102 5.535 13.575 1.00 0.00 H new ATOM 674 N ASP A 43 0.367 6.666 10.951 1.00 0.00 N ATOM 675 CA ASP A 43 1.728 7.228 11.054 1.00 0.00 C ATOM 676 C ASP A 43 2.167 7.901 9.743 1.00 0.00 C ATOM 677 O ASP A 43 2.766 7.259 8.867 1.00 0.00 O ATOM 678 CB ASP A 43 2.742 6.129 11.487 1.00 0.00 C ATOM 679 CG ASP A 43 2.461 5.591 12.898 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.929 6.198 13.888 1.00 0.00 O ATOM 681 OD2 ASP A 43 1.747 4.576 13.030 1.00 0.00 O ATOM 0 H ASP A 43 0.349 5.675 10.708 1.00 0.00 H new ATOM 0 HA ASP A 43 1.710 8.001 11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.706 5.305 10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.752 6.537 11.452 1.00 0.00 H new ATOM 686 N GLN A 44 1.856 9.209 9.620 1.00 0.00 N ATOM 687 CA GLN A 44 2.404 10.066 8.547 1.00 0.00 C ATOM 688 C GLN A 44 3.890 10.356 8.799 1.00 0.00 C ATOM 689 O GLN A 44 4.581 10.803 7.896 1.00 0.00 O ATOM 690 CB GLN A 44 1.626 11.410 8.394 1.00 0.00 C ATOM 691 CG GLN A 44 0.260 11.304 7.686 1.00 0.00 C ATOM 692 CD GLN A 44 -0.830 10.643 8.526 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.567 11.311 9.252 1.00 0.00 O ATOM 694 NE2 GLN A 44 -0.939 9.333 8.438 1.00 0.00 N ATOM 0 H GLN A 44 1.224 9.697 10.255 1.00 0.00 H new ATOM 0 HA GLN A 44 2.288 9.512 7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.471 11.836 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.250 12.111 7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.070 12.304 7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.385 10.738 6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.313 8.809 7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.650 8.843 8.981 1.00 0.00 H new ATOM 703 N GLU A 45 4.357 10.124 10.035 1.00 0.00 N ATOM 704 CA GLU A 45 5.782 10.244 10.381 1.00 0.00 C ATOM 705 C GLU A 45 6.612 9.174 9.644 1.00 0.00 C ATOM 706 O GLU A 45 7.665 9.474 9.087 1.00 0.00 O ATOM 707 CB GLU A 45 5.973 10.160 11.918 1.00 0.00 C ATOM 708 CG GLU A 45 5.377 8.907 12.589 1.00 0.00 C ATOM 709 CD GLU A 45 5.567 8.892 14.112 1.00 0.00 C ATOM 710 OE1 GLU A 45 4.763 9.536 14.826 1.00 0.00 O ATOM 711 OE2 GLU A 45 6.533 8.265 14.600 1.00 0.00 O ATOM 0 H GLU A 45 3.763 9.850 10.818 1.00 0.00 H new ATOM 0 HA GLU A 45 6.143 11.219 10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.040 10.196 12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.524 11.043 12.372 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.313 8.852 12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.841 8.018 12.162 1.00 0.00 H new ATOM 718 N LYS A 46 6.094 7.931 9.621 1.00 0.00 N ATOM 719 CA LYS A 46 6.739 6.796 8.942 1.00 0.00 C ATOM 720 C LYS A 46 6.465 6.839 7.421 1.00 0.00 C ATOM 721 O LYS A 46 7.346 6.497 6.622 1.00 0.00 O ATOM 722 CB LYS A 46 6.263 5.459 9.576 1.00 0.00 C ATOM 723 CG LYS A 46 6.810 4.141 8.944 1.00 0.00 C ATOM 724 CD LYS A 46 8.318 3.825 9.190 1.00 0.00 C ATOM 725 CE LYS A 46 9.295 4.583 8.264 1.00 0.00 C ATOM 726 NZ LYS A 46 10.704 4.144 8.445 1.00 0.00 N ATOM 0 H LYS A 46 5.214 7.687 10.075 1.00 0.00 H new ATOM 0 HA LYS A 46 7.818 6.867 9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.537 5.468 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.174 5.431 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.220 3.308 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.641 4.183 7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.561 4.063 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.476 2.754 9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.000 4.430 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.222 5.653 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.346 4.911 8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.869 3.910 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.884 3.304 7.858 1.00 0.00 H new ATOM 740 N LEU A 47 5.242 7.265 7.036 1.00 0.00 N ATOM 741 CA LEU A 47 4.871 7.462 5.623 1.00 0.00 C ATOM 742 C LEU A 47 5.800 8.501 4.954 1.00 0.00 C ATOM 743 O LEU A 47 6.510 8.170 4.011 1.00 0.00 O ATOM 744 CB LEU A 47 3.381 7.890 5.503 1.00 0.00 C ATOM 745 CG LEU A 47 2.321 6.754 5.615 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.889 7.319 5.765 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.423 5.790 4.402 1.00 0.00 C ATOM 0 H LEU A 47 4.492 7.480 7.693 1.00 0.00 H new ATOM 0 HA LEU A 47 4.994 6.514 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.174 8.627 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.246 8.390 4.544 1.00 0.00 H new ATOM 0 HG LEU A 47 2.536 6.187 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.179 6.495 5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.832 7.931 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.646 7.930 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.675 5.003 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.249 6.345 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.417 5.344 4.375 1.00 0.00 H new ATOM 759 N ALA A 48 5.812 9.738 5.502 1.00 0.00 N ATOM 760 CA ALA A 48 6.604 10.868 4.965 1.00 0.00 C ATOM 761 C ALA A 48 8.095 10.554 4.961 1.00 0.00 C ATOM 762 O ALA A 48 8.790 10.905 4.009 1.00 0.00 O ATOM 763 CB ALA A 48 6.333 12.160 5.756 1.00 0.00 C ATOM 0 H ALA A 48 5.271 9.981 6.332 1.00 0.00 H new ATOM 0 HA ALA A 48 6.288 11.021 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.928 12.973 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.275 12.413 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.604 12.010 6.801 1.00 0.00 H new ATOM 769 N ASP A 49 8.567 9.874 6.025 1.00 0.00 N ATOM 770 CA ASP A 49 9.966 9.414 6.124 1.00 0.00 C ATOM 771 C ASP A 49 10.329 8.526 4.927 1.00 0.00 C ATOM 772 O ASP A 49 11.313 8.789 4.251 1.00 0.00 O ATOM 773 CB ASP A 49 10.205 8.639 7.443 1.00 0.00 C ATOM 774 CG ASP A 49 11.641 8.090 7.575 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.575 8.898 7.771 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.844 6.856 7.478 1.00 0.00 O ATOM 0 H ASP A 49 7.995 9.630 6.833 1.00 0.00 H new ATOM 0 HA ASP A 49 10.606 10.296 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.996 9.297 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.499 7.810 7.503 1.00 0.00 H new ATOM 781 N PHE A 50 9.482 7.516 4.659 1.00 0.00 N ATOM 782 CA PHE A 50 9.706 6.521 3.590 1.00 0.00 C ATOM 783 C PHE A 50 9.677 7.196 2.194 1.00 0.00 C ATOM 784 O PHE A 50 10.469 6.867 1.299 1.00 0.00 O ATOM 785 CB PHE A 50 8.626 5.414 3.699 1.00 0.00 C ATOM 786 CG PHE A 50 8.879 4.198 2.814 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.795 3.223 3.207 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.225 4.038 1.593 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.043 2.126 2.414 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.479 2.939 0.800 1.00 0.00 C ATOM 791 CZ PHE A 50 9.390 1.983 1.211 1.00 0.00 C ATOM 0 H PHE A 50 8.618 7.365 5.180 1.00 0.00 H new ATOM 0 HA PHE A 50 10.692 6.072 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.563 5.086 4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.657 5.842 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.317 3.330 4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.513 4.781 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.751 1.377 2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.966 2.825 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.589 1.124 0.588 1.00 0.00 H new ATOM 801 N LEU A 51 8.761 8.162 2.058 1.00 0.00 N ATOM 802 CA LEU A 51 8.566 8.963 0.835 1.00 0.00 C ATOM 803 C LEU A 51 9.675 10.024 0.663 1.00 0.00 C ATOM 804 O LEU A 51 9.779 10.618 -0.407 1.00 0.00 O ATOM 805 CB LEU A 51 7.169 9.627 0.849 1.00 0.00 C ATOM 806 CG LEU A 51 5.948 8.662 0.991 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.633 9.448 1.080 1.00 0.00 C ATOM 808 CD2 LEU A 51 5.894 7.620 -0.143 1.00 0.00 C ATOM 0 H LEU A 51 8.119 8.417 2.809 1.00 0.00 H new ATOM 0 HA LEU A 51 8.628 8.289 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.138 10.342 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.051 10.196 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 51 6.082 8.112 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.799 8.753 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.661 10.106 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.504 10.044 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.029 6.972 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.812 8.130 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.803 7.019 -0.129 1.00 0.00 H new ATOM 820 N SER A 52 10.395 10.346 1.754 1.00 0.00 N ATOM 821 CA SER A 52 11.618 11.177 1.704 1.00 0.00 C ATOM 822 C SER A 52 12.861 10.326 1.337 1.00 0.00 C ATOM 823 O SER A 52 13.727 10.790 0.588 1.00 0.00 O ATOM 824 CB SER A 52 11.829 11.912 3.048 1.00 0.00 C ATOM 825 OG SER A 52 10.774 12.826 3.300 1.00 0.00 O ATOM 0 H SER A 52 10.148 10.039 2.695 1.00 0.00 H new ATOM 0 HA SER A 52 11.487 11.924 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.887 11.185 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.780 12.445 3.030 1.00 0.00 H new ATOM 0 HG SER A 52 10.024 12.353 3.717 1.00 0.00 H new ATOM 831 N GLN A 53 12.928 9.074 1.865 1.00 0.00 N ATOM 832 CA GLN A 53 14.058 8.133 1.608 1.00 0.00 C ATOM 833 C GLN A 53 14.173 7.828 0.105 1.00 0.00 C ATOM 834 O GLN A 53 15.255 7.559 -0.417 1.00 0.00 O ATOM 835 CB GLN A 53 13.882 6.798 2.390 1.00 0.00 C ATOM 836 CG GLN A 53 13.802 6.926 3.928 1.00 0.00 C ATOM 837 CD GLN A 53 14.977 7.675 4.571 1.00 0.00 C ATOM 838 OE1 GLN A 53 16.111 7.636 4.096 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.708 8.372 5.662 1.00 0.00 N ATOM 0 H GLN A 53 12.208 8.689 2.476 1.00 0.00 H new ATOM 0 HA GLN A 53 14.969 8.620 1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.974 6.309 2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.715 6.141 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.876 7.438 4.189 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.746 5.927 4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.759 8.388 6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.449 8.894 6.130 1.00 0.00 H new ATOM 848 N HIS A 54 13.011 7.834 -0.548 1.00 0.00 N ATOM 849 CA HIS A 54 12.858 7.776 -1.996 1.00 0.00 C ATOM 850 C HIS A 54 11.812 8.832 -2.313 1.00 0.00 C ATOM 851 O HIS A 54 10.635 8.605 -2.065 1.00 0.00 O ATOM 852 CB HIS A 54 12.383 6.367 -2.462 1.00 0.00 C ATOM 853 CG HIS A 54 13.333 5.243 -2.097 1.00 0.00 C ATOM 854 ND1 HIS A 54 14.486 4.972 -2.801 1.00 0.00 N ATOM 855 CD2 HIS A 54 13.321 4.360 -1.061 1.00 0.00 C ATOM 856 CE1 HIS A 54 15.137 3.979 -2.225 1.00 0.00 C ATOM 857 NE2 HIS A 54 14.449 3.588 -1.170 1.00 0.00 N ATOM 0 H HIS A 54 12.116 7.881 -0.060 1.00 0.00 H new ATOM 0 HA HIS A 54 13.801 7.956 -2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 54 11.407 6.161 -2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 54 12.250 6.379 -3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 54 12.563 4.282 -0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.073 3.558 -2.560 1.00 0.00 H new ATOM 0 HE2 HIS A 54 14.713 2.833 -0.537 1.00 0.00 H new ATOM 866 N LYS A 55 12.259 10.027 -2.709 1.00 0.00 N ATOM 867 CA LYS A 55 11.363 11.157 -3.035 1.00 0.00 C ATOM 868 C LYS A 55 10.677 10.961 -4.400 1.00 0.00 C ATOM 869 O LYS A 55 9.442 10.993 -4.490 1.00 0.00 O ATOM 870 CB LYS A 55 12.122 12.534 -2.982 1.00 0.00 C ATOM 871 CG LYS A 55 11.681 13.483 -1.831 1.00 0.00 C ATOM 872 CD LYS A 55 10.166 13.814 -1.842 1.00 0.00 C ATOM 873 CE LYS A 55 9.679 14.418 -3.176 1.00 0.00 C ATOM 874 NZ LYS A 55 10.443 15.628 -3.575 1.00 0.00 N ATOM 0 H LYS A 55 13.250 10.245 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 55 10.586 11.177 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.190 12.340 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.978 13.048 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.937 13.024 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.247 14.412 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.602 12.904 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.949 14.513 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.762 13.667 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.623 14.673 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.051 16.010 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.372 16.346 -2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.442 15.376 -3.719 1.00 0.00 H new ATOM 888 N ASP A 56 11.481 10.791 -5.448 1.00 0.00 N ATOM 889 CA ASP A 56 10.986 10.616 -6.823 1.00 0.00 C ATOM 890 C ASP A 56 11.046 9.125 -7.194 1.00 0.00 C ATOM 891 O ASP A 56 12.107 8.600 -7.553 1.00 0.00 O ATOM 892 CB ASP A 56 11.808 11.496 -7.801 1.00 0.00 C ATOM 893 CG ASP A 56 11.647 13.004 -7.515 1.00 0.00 C ATOM 894 OD1 ASP A 56 12.355 13.537 -6.631 1.00 0.00 O ATOM 895 OD2 ASP A 56 10.802 13.661 -8.163 1.00 0.00 O ATOM 0 H ASP A 56 12.498 10.770 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 56 9.948 10.941 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.862 11.226 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.494 11.288 -8.824 1.00 0.00 H new ATOM 900 N LYS A 57 9.893 8.459 -7.043 1.00 0.00 N ATOM 901 CA LYS A 57 9.742 6.994 -7.164 1.00 0.00 C ATOM 902 C LYS A 57 8.265 6.645 -7.477 1.00 0.00 C ATOM 903 O LYS A 57 7.434 7.537 -7.692 1.00 0.00 O ATOM 904 CB LYS A 57 10.176 6.305 -5.823 1.00 0.00 C ATOM 905 CG LYS A 57 9.165 6.425 -4.636 1.00 0.00 C ATOM 906 CD LYS A 57 8.767 7.881 -4.299 1.00 0.00 C ATOM 907 CE LYS A 57 7.787 8.038 -3.136 1.00 0.00 C ATOM 908 NZ LYS A 57 7.682 9.464 -2.708 1.00 0.00 N ATOM 0 H LYS A 57 9.015 8.932 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 57 10.376 6.633 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.351 5.247 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.128 6.733 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.265 5.859 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.602 5.964 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.672 8.443 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.327 8.335 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.804 7.671 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.115 7.426 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.125 9.580 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.167 10.071 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.680 9.737 -2.652 1.00 0.00 H new ATOM 922 N LYS A 58 7.953 5.339 -7.461 1.00 0.00 N ATOM 923 CA LYS A 58 6.576 4.823 -7.517 1.00 0.00 C ATOM 924 C LYS A 58 6.300 3.954 -6.281 1.00 0.00 C ATOM 925 O LYS A 58 6.648 2.779 -6.267 1.00 0.00 O ATOM 926 CB LYS A 58 6.365 4.030 -8.835 1.00 0.00 C ATOM 927 CG LYS A 58 6.015 4.932 -10.039 1.00 0.00 C ATOM 928 CD LYS A 58 6.299 4.284 -11.400 1.00 0.00 C ATOM 929 CE LYS A 58 5.679 2.886 -11.564 1.00 0.00 C ATOM 930 NZ LYS A 58 5.945 2.310 -12.907 1.00 0.00 N ATOM 0 H LYS A 58 8.658 4.604 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 58 5.868 5.652 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.271 3.468 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.566 3.303 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.959 5.198 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.582 5.860 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.919 4.934 -12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.378 4.211 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.079 2.221 -10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.603 2.946 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.583 1.336 -12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.469 2.885 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.969 2.306 -13.086 1.00 0.00 H new ATOM 944 N VAL A 59 5.736 4.564 -5.217 1.00 0.00 N ATOM 945 CA VAL A 59 5.287 3.819 -4.020 1.00 0.00 C ATOM 946 C VAL A 59 3.789 3.522 -4.134 1.00 0.00 C ATOM 947 O VAL A 59 2.993 4.411 -4.431 1.00 0.00 O ATOM 948 CB VAL A 59 5.606 4.580 -2.669 1.00 0.00 C ATOM 949 CG1 VAL A 59 4.875 3.960 -1.452 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.128 4.595 -2.398 1.00 0.00 C ATOM 0 H VAL A 59 5.580 5.571 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 59 5.847 2.884 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 59 5.242 5.600 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.128 4.520 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.798 4.002 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.184 2.921 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.326 5.123 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.494 3.571 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.638 5.102 -3.217 1.00 0.00 H new ATOM 960 N LEU A 60 3.440 2.257 -3.886 1.00 0.00 N ATOM 961 CA LEU A 60 2.070 1.740 -3.942 1.00 0.00 C ATOM 962 C LEU A 60 1.634 1.379 -2.510 1.00 0.00 C ATOM 963 O LEU A 60 2.167 0.445 -1.914 1.00 0.00 O ATOM 964 CB LEU A 60 2.056 0.518 -4.920 1.00 0.00 C ATOM 965 CG LEU A 60 0.701 -0.217 -5.214 1.00 0.00 C ATOM 966 CD1 LEU A 60 0.324 -1.222 -4.106 1.00 0.00 C ATOM 967 CD2 LEU A 60 -0.424 0.791 -5.493 1.00 0.00 C ATOM 0 H LEU A 60 4.123 1.543 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 60 1.359 2.473 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.458 0.858 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.752 -0.223 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 60 0.843 -0.808 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.621 -1.703 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.105 -1.978 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.222 -0.696 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.352 0.255 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.558 1.436 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.162 1.399 -6.359 1.00 0.00 H new ATOM 979 N LEU A 61 0.663 2.125 -1.968 1.00 0.00 N ATOM 980 CA LEU A 61 0.141 1.902 -0.603 1.00 0.00 C ATOM 981 C LEU A 61 -1.053 0.925 -0.683 1.00 0.00 C ATOM 982 O LEU A 61 -2.174 1.338 -0.968 1.00 0.00 O ATOM 983 CB LEU A 61 -0.299 3.265 0.026 1.00 0.00 C ATOM 984 CG LEU A 61 0.774 4.408 0.044 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.198 5.711 0.634 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.041 3.993 0.809 1.00 0.00 C ATOM 0 H LEU A 61 0.215 2.899 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 61 0.916 1.471 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.172 3.626 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.617 3.080 1.052 1.00 0.00 H new ATOM 0 HG LEU A 61 1.053 4.592 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.968 6.483 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.648 6.041 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.133 5.532 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.758 4.814 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.781 3.753 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.483 3.118 0.333 1.00 0.00 H new ATOM 998 N HIS A 62 -0.815 -0.375 -0.435 1.00 0.00 N ATOM 999 CA HIS A 62 -1.877 -1.401 -0.560 1.00 0.00 C ATOM 1000 C HIS A 62 -2.622 -1.563 0.775 1.00 0.00 C ATOM 1001 O HIS A 62 -2.000 -1.555 1.852 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.310 -2.770 -1.067 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.821 -3.734 -0.003 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.605 -4.749 0.502 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.366 -3.840 0.636 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.916 -5.435 1.387 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.282 -4.905 1.493 1.00 0.00 N ATOM 0 H HIS A 62 0.093 -0.742 -0.149 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.587 -1.058 -1.312 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.087 -3.267 -1.647 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.484 -2.566 -1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.225 -3.200 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.275 -6.293 1.936 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.025 -5.232 2.110 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.949 -1.719 0.695 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.815 -1.923 1.876 1.00 0.00 C ATOM 1018 C CYS A 63 -5.643 -3.207 1.723 1.00 0.00 C ATOM 1019 O CYS A 63 -5.807 -3.704 0.603 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.730 -0.710 2.083 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.720 -0.780 3.584 1.00 0.00 S ATOM 0 H CYS A 63 -4.459 -1.708 -0.188 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.181 -2.030 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.119 0.192 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.397 -0.621 1.225 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.936 -0.849 4.618 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.100 -3.761 2.868 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.933 -4.986 2.919 1.00 0.00 C ATOM 1029 C ARG A 64 -8.197 -4.868 2.048 1.00 0.00 C ATOM 1030 O ARG A 64 -8.596 -5.833 1.413 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.320 -5.330 4.382 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.210 -6.580 4.518 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.441 -6.997 5.970 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.049 -5.930 6.788 1.00 0.00 N ATOM 1035 CZ ARG A 64 -10.350 -5.595 6.800 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -11.215 -6.169 5.966 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -10.779 -4.670 7.650 1.00 0.00 N ATOM 0 H ARG A 64 -5.901 -3.370 3.789 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.328 -5.796 2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.409 -5.480 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.840 -4.477 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.172 -6.387 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.749 -7.407 3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.086 -7.875 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.489 -7.289 6.414 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.427 -5.400 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.893 -6.875 5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.199 -5.902 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.122 -4.219 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.765 -4.410 7.666 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.842 -3.693 2.069 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.969 -3.383 1.160 1.00 0.00 C ATOM 1053 C ALA A 65 -9.591 -2.232 0.209 1.00 0.00 C ATOM 1054 O ALA A 65 -9.666 -2.382 -1.012 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.239 -3.062 1.960 1.00 0.00 C ATOM 0 H ALA A 65 -8.605 -2.934 2.707 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.180 -4.262 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.055 -2.837 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.509 -3.921 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.057 -2.200 2.601 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.174 -1.087 0.777 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.775 0.081 -0.031 1.00 0.00 C ATOM 1063 C GLY A 66 -9.013 1.415 0.661 1.00 0.00 C ATOM 1064 O GLY A 66 -8.569 2.459 0.163 1.00 0.00 O ATOM 0 H GLY A 66 -9.104 -0.945 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.717 -0.005 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.326 0.066 -0.971 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.727 1.382 1.806 1.00 0.00 N ATOM 1069 CA ARG A 67 -10.043 2.579 2.610 1.00 0.00 C ATOM 1070 C ARG A 67 -8.753 3.282 3.067 1.00 0.00 C ATOM 1071 O ARG A 67 -8.569 4.471 2.813 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.920 2.177 3.832 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.335 3.307 4.814 1.00 0.00 C ATOM 1074 CD ARG A 67 -12.151 4.449 4.159 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.289 5.501 3.593 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.651 6.408 2.679 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.832 6.347 2.077 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.809 7.383 2.367 1.00 0.00 N ATOM 0 H ARG A 67 -10.102 0.519 2.200 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.604 3.281 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.828 1.707 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.381 1.418 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.923 2.873 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.437 3.729 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.781 4.036 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.817 4.889 4.902 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.327 5.542 3.929 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.484 5.598 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.088 7.049 1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.898 7.435 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.072 8.081 1.672 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.853 2.508 3.695 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.599 3.038 4.278 1.00 0.00 C ATOM 1094 C ARG A 68 -5.549 3.320 3.207 1.00 0.00 C ATOM 1095 O ARG A 68 -4.612 4.080 3.444 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.036 2.059 5.328 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.047 1.669 6.415 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.679 2.899 7.096 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.601 2.536 8.177 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.612 3.298 8.616 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -9.919 4.445 8.018 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -10.333 2.891 9.641 1.00 0.00 N ATOM 0 H ARG A 68 -7.968 1.502 3.815 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.841 3.984 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.693 1.156 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.164 2.510 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.834 1.057 5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.550 1.056 7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.888 3.534 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.214 3.487 6.350 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.462 1.633 8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.381 4.759 7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.692 5.011 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.120 2.002 10.094 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.104 3.465 9.982 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.702 2.656 2.053 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.906 2.943 0.845 1.00 0.00 C ATOM 1118 C ALA A 69 -5.111 4.409 0.444 1.00 0.00 C ATOM 1119 O ALA A 69 -4.147 5.180 0.328 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.307 1.996 -0.300 1.00 0.00 C ATOM 0 H ALA A 69 -6.380 1.904 1.928 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.849 2.778 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.710 2.221 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.132 0.964 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.364 2.132 -0.531 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.398 4.772 0.284 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.824 6.139 -0.018 1.00 0.00 C ATOM 1128 C LEU A 70 -6.378 7.093 1.110 1.00 0.00 C ATOM 1129 O LEU A 70 -5.592 7.991 0.850 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.366 6.174 -0.249 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.995 7.554 -0.640 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.300 8.179 -1.868 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.517 7.425 -0.893 1.00 0.00 C ATOM 0 H LEU A 70 -7.173 4.114 0.363 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.348 6.481 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.607 5.457 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.853 5.826 0.662 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.839 8.222 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.768 9.135 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.244 8.337 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.396 7.508 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.925 8.399 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.692 6.721 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.007 7.064 0.011 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.816 6.807 2.364 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.560 7.643 3.571 1.00 0.00 C ATOM 1147 C ASP A 71 -5.092 8.065 3.716 1.00 0.00 C ATOM 1148 O ASP A 71 -4.791 9.260 3.905 1.00 0.00 O ATOM 1149 CB ASP A 71 -6.983 6.877 4.860 1.00 0.00 C ATOM 1150 CG ASP A 71 -8.497 6.754 5.055 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -9.231 7.711 4.721 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -8.967 5.709 5.551 1.00 0.00 O ATOM 0 H ASP A 71 -7.367 5.974 2.570 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.156 8.546 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.550 5.877 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.558 7.385 5.726 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.199 7.063 3.635 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.748 7.259 3.767 1.00 0.00 C ATOM 1159 C ALA A 72 -2.237 8.194 2.669 1.00 0.00 C ATOM 1160 O ALA A 72 -1.655 9.241 2.960 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.018 5.906 3.731 1.00 0.00 C ATOM 0 H ALA A 72 -4.466 6.092 3.476 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.541 7.725 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.945 6.069 3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.368 5.282 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.223 5.407 2.784 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.550 7.836 1.409 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.093 8.573 0.225 1.00 0.00 C ATOM 1169 C ALA A 73 -2.627 10.017 0.194 1.00 0.00 C ATOM 1170 O ALA A 73 -1.932 10.899 -0.304 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.476 7.812 -1.050 1.00 0.00 C ATOM 0 H ALA A 73 -3.128 7.025 1.188 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.007 8.646 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.132 8.368 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.009 6.827 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.559 7.700 -1.095 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.849 10.251 0.740 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.455 11.604 0.795 1.00 0.00 C ATOM 1179 C LYS A 74 -3.577 12.511 1.640 1.00 0.00 C ATOM 1180 O LYS A 74 -3.095 13.526 1.148 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.912 11.603 1.354 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.903 10.737 0.556 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.388 11.061 0.830 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.876 12.303 0.069 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.329 12.538 0.275 1.00 0.00 N ATOM 0 H LYS A 74 -4.432 9.520 1.147 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.517 11.972 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.891 11.251 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.280 12.629 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.705 10.865 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.722 9.688 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.000 10.204 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.530 11.217 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.315 13.177 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.674 12.180 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.622 13.384 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.865 11.714 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.518 12.680 1.288 1.00 0.00 H new ATOM 1199 N SER A 75 -3.312 12.062 2.881 1.00 0.00 N ATOM 1200 CA SER A 75 -2.500 12.796 3.870 1.00 0.00 C ATOM 1201 C SER A 75 -1.112 13.165 3.302 1.00 0.00 C ATOM 1202 O SER A 75 -0.609 14.268 3.528 1.00 0.00 O ATOM 1203 CB SER A 75 -2.347 11.933 5.143 1.00 0.00 C ATOM 1204 OG SER A 75 -3.607 11.462 5.592 1.00 0.00 O ATOM 0 H SER A 75 -3.660 11.169 3.229 1.00 0.00 H new ATOM 0 HA SER A 75 -3.010 13.728 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.691 11.087 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.873 12.520 5.930 1.00 0.00 H new ATOM 0 HG SER A 75 -3.850 10.653 5.096 1.00 0.00 H new ATOM 1210 N MET A 76 -0.524 12.234 2.525 1.00 0.00 N ATOM 1211 CA MET A 76 0.825 12.402 1.956 1.00 0.00 C ATOM 1212 C MET A 76 0.828 13.385 0.770 1.00 0.00 C ATOM 1213 O MET A 76 1.768 14.170 0.616 1.00 0.00 O ATOM 1214 CB MET A 76 1.430 11.043 1.532 1.00 0.00 C ATOM 1215 CG MET A 76 1.324 9.917 2.589 1.00 0.00 C ATOM 1216 SD MET A 76 1.345 10.501 4.303 1.00 0.00 S ATOM 1217 CE MET A 76 2.965 11.236 4.456 1.00 0.00 C ATOM 0 H MET A 76 -0.969 11.350 2.276 1.00 0.00 H new ATOM 0 HA MET A 76 1.449 12.826 2.743 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.934 10.711 0.620 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.482 11.192 1.287 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.403 9.360 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.149 9.220 2.445 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.079 11.660 5.454 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.727 10.473 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.079 12.024 3.712 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.221 13.307 -0.076 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.450 14.271 -1.176 1.00 0.00 C ATOM 1229 C HIS A 77 -0.664 15.702 -0.629 1.00 0.00 C ATOM 1230 O HIS A 77 -0.270 16.678 -1.276 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.645 13.823 -2.074 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.298 12.817 -3.155 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.316 13.131 -4.497 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.957 11.507 -3.095 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -1.010 12.066 -5.207 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.785 11.066 -4.381 1.00 0.00 N ATOM 0 H HIS A 77 -0.931 12.577 -0.017 1.00 0.00 H new ATOM 0 HA HIS A 77 0.445 14.287 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.418 13.395 -1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.075 14.706 -2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.842 10.918 -2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.953 12.020 -6.285 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.525 10.118 -4.654 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.281 15.808 0.567 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.481 17.091 1.271 1.00 0.00 C ATOM 1247 C GLU A 78 -0.134 17.649 1.782 1.00 0.00 C ATOM 1248 O GLU A 78 0.050 18.868 1.861 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.474 16.901 2.447 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.862 16.371 2.028 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.671 17.351 1.164 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.306 18.271 1.727 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.700 17.193 -0.082 1.00 0.00 O ATOM 0 H GLU A 78 -1.655 15.004 1.072 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.901 17.812 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.037 16.210 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.602 17.856 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.733 15.439 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.435 16.135 2.925 1.00 0.00 H new ATOM 1260 N LEU A 79 0.803 16.739 2.137 1.00 0.00 N ATOM 1261 CA LEU A 79 2.177 17.126 2.540 1.00 0.00 C ATOM 1262 C LEU A 79 3.035 17.508 1.315 1.00 0.00 C ATOM 1263 O LEU A 79 4.100 18.109 1.467 1.00 0.00 O ATOM 1264 CB LEU A 79 2.883 16.004 3.350 1.00 0.00 C ATOM 1265 CG LEU A 79 2.148 15.505 4.632 1.00 0.00 C ATOM 1266 CD1 LEU A 79 3.056 14.612 5.498 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.552 16.668 5.466 1.00 0.00 C ATOM 0 H LEU A 79 0.634 15.733 2.153 1.00 0.00 H new ATOM 0 HA LEU A 79 2.077 17.999 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.035 15.150 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.871 16.362 3.640 1.00 0.00 H new ATOM 0 HG LEU A 79 1.311 14.898 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.508 14.284 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.368 13.741 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.936 15.177 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.052 16.265 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.352 17.339 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.832 17.219 4.860 1.00 0.00 H new ATOM 1279 N GLY A 80 2.570 17.132 0.109 1.00 0.00 N ATOM 1280 CA GLY A 80 3.231 17.504 -1.148 1.00 0.00 C ATOM 1281 C GLY A 80 3.790 16.322 -1.923 1.00 0.00 C ATOM 1282 O GLY A 80 4.246 16.497 -3.059 1.00 0.00 O ATOM 0 H GLY A 80 1.731 16.566 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.518 18.035 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.042 18.199 -0.929 1.00 0.00 H new ATOM 1286 N TYR A 81 3.774 15.115 -1.314 1.00 0.00 N ATOM 1287 CA TYR A 81 4.248 13.879 -1.989 1.00 0.00 C ATOM 1288 C TYR A 81 3.196 13.395 -3.004 1.00 0.00 C ATOM 1289 O TYR A 81 2.085 13.923 -3.055 1.00 0.00 O ATOM 1290 CB TYR A 81 4.536 12.755 -0.962 1.00 0.00 C ATOM 1291 CG TYR A 81 5.516 13.134 0.155 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.897 13.206 -0.075 1.00 0.00 C ATOM 1293 CD2 TYR A 81 5.058 13.407 1.446 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.770 13.534 0.947 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.931 13.733 2.461 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.285 13.794 2.208 1.00 0.00 C ATOM 1297 OH TYR A 81 8.155 14.120 3.224 1.00 0.00 O ATOM 0 H TYR A 81 3.440 14.968 -0.361 1.00 0.00 H new ATOM 0 HA TYR A 81 5.176 14.115 -2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.594 12.447 -0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.932 11.890 -1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.284 13.003 -1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.999 13.362 1.653 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.832 13.586 0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.556 13.940 3.452 1.00 0.00 H new ATOM 0 HH TYR A 81 9.058 13.820 2.990 1.00 0.00 H new ATOM 1307 N THR A 82 3.540 12.369 -3.801 1.00 0.00 N ATOM 1308 CA THR A 82 2.603 11.757 -4.765 1.00 0.00 C ATOM 1309 C THR A 82 2.771 10.208 -4.804 1.00 0.00 C ATOM 1310 O THR A 82 3.253 9.652 -5.801 1.00 0.00 O ATOM 1311 CB THR A 82 2.771 12.379 -6.213 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.168 12.482 -6.547 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.103 13.761 -6.361 1.00 0.00 C ATOM 0 H THR A 82 4.466 11.942 -3.798 1.00 0.00 H new ATOM 0 HA THR A 82 1.592 11.980 -4.424 1.00 0.00 H new ATOM 0 HB THR A 82 2.264 11.703 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.263 12.866 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.254 14.132 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.035 13.672 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.547 14.458 -5.650 1.00 0.00 H new ATOM 1321 N PRO A 83 2.428 9.472 -3.689 1.00 0.00 N ATOM 1322 CA PRO A 83 2.325 7.994 -3.733 1.00 0.00 C ATOM 1323 C PRO A 83 1.004 7.511 -4.391 1.00 0.00 C ATOM 1324 O PRO A 83 -0.035 8.187 -4.314 1.00 0.00 O ATOM 1325 CB PRO A 83 2.385 7.594 -2.237 1.00 0.00 C ATOM 1326 CG PRO A 83 1.775 8.759 -1.519 1.00 0.00 C ATOM 1327 CD PRO A 83 2.198 9.986 -2.302 1.00 0.00 C ATOM 0 HA PRO A 83 3.111 7.541 -4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.830 6.675 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.411 7.419 -1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.689 8.672 -1.483 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.125 8.812 -0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.426 10.756 -2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.102 10.432 -1.887 1.00 0.00 H new ATOM 1335 N TYR A 84 1.090 6.353 -5.060 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.069 5.577 -5.542 1.00 0.00 C ATOM 1337 C TYR A 84 -0.652 4.754 -4.380 1.00 0.00 C ATOM 1338 O TYR A 84 -0.075 4.723 -3.284 1.00 0.00 O ATOM 1339 CB TYR A 84 0.366 4.624 -6.685 1.00 0.00 C ATOM 1340 CG TYR A 84 0.908 5.324 -7.945 1.00 0.00 C ATOM 1341 CD1 TYR A 84 0.045 5.725 -8.969 1.00 0.00 C ATOM 1342 CD2 TYR A 84 2.280 5.572 -8.118 1.00 0.00 C ATOM 1343 CE1 TYR A 84 0.521 6.346 -10.109 1.00 0.00 C ATOM 1344 CE2 TYR A 84 2.750 6.195 -9.260 1.00 0.00 C ATOM 1345 CZ TYR A 84 1.872 6.574 -10.247 1.00 0.00 C ATOM 1346 OH TYR A 84 2.349 7.187 -11.385 1.00 0.00 O ATOM 0 H TYR A 84 1.984 5.918 -5.288 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.826 6.264 -5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.133 3.950 -6.304 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.487 4.008 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.015 5.546 -8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.977 5.272 -7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.163 6.651 -10.887 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.807 6.384 -9.376 1.00 0.00 H new ATOM 0 HH TYR A 84 3.323 7.275 -11.325 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.786 4.075 -4.628 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.456 3.253 -3.608 1.00 0.00 C ATOM 1358 C TYR A 85 -3.350 2.187 -4.261 1.00 0.00 C ATOM 1359 O TYR A 85 -3.964 2.434 -5.304 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.254 4.144 -2.630 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.320 5.047 -3.274 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -3.961 6.246 -3.886 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.677 4.713 -3.247 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -4.901 7.067 -4.444 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.622 5.539 -3.810 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.228 6.718 -4.405 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.166 7.552 -4.972 1.00 0.00 O ATOM 0 H TYR A 85 -2.259 4.081 -5.532 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.693 2.729 -3.032 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.742 3.502 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.551 4.774 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.920 6.532 -3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.988 3.792 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.599 7.991 -4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.666 5.265 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.719 8.190 -5.567 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.395 0.996 -3.634 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.108 -0.177 -4.151 1.00 0.00 C ATOM 1379 C LEU A 86 -5.431 -0.364 -3.395 1.00 0.00 C ATOM 1380 O LEU A 86 -5.439 -0.651 -2.171 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.210 -1.444 -4.029 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.683 -2.779 -4.716 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.719 -3.567 -3.889 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.194 -2.518 -6.141 1.00 0.00 C ATOM 0 H LEU A 86 -2.930 0.824 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.337 -0.022 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.230 -1.194 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.073 -1.650 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.800 -3.415 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.998 -4.474 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.288 -3.834 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.604 -2.951 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.514 -3.458 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.037 -1.828 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.394 -2.083 -6.740 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.529 -0.221 -4.144 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.879 -0.560 -3.698 1.00 0.00 C ATOM 1398 C GLU A 87 -8.225 -1.968 -4.221 1.00 0.00 C ATOM 1399 O GLU A 87 -8.556 -2.148 -5.404 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.894 0.505 -4.191 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.670 1.913 -3.596 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.742 2.931 -4.019 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.925 2.741 -3.655 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.415 3.927 -4.704 1.00 0.00 O ATOM 0 H GLU A 87 -6.501 0.142 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.930 -0.565 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.839 0.569 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.902 0.173 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.656 1.842 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.690 2.278 -3.904 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.075 -2.956 -3.331 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.331 -4.363 -3.640 1.00 0.00 C ATOM 1413 C GLY A 88 -8.110 -5.237 -2.412 1.00 0.00 C ATOM 1414 O GLY A 88 -7.392 -4.835 -1.486 1.00 0.00 O ATOM 0 H GLY A 88 -7.770 -2.798 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.354 -4.481 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.673 -4.688 -4.446 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.709 -6.441 -2.410 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.691 -7.349 -1.244 1.00 0.00 C ATOM 1420 C ASN A 89 -7.322 -8.040 -1.101 1.00 0.00 C ATOM 1421 O ASN A 89 -6.828 -8.629 -2.060 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.833 -8.393 -1.334 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.232 -7.800 -1.143 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.492 -6.636 -1.450 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -12.151 -8.603 -0.642 1.00 0.00 N ATOM 0 H ASN A 89 -9.218 -6.813 -3.212 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.857 -6.747 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.787 -8.885 -2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.669 -9.162 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.103 -8.264 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.910 -9.563 -0.396 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.730 -7.968 0.119 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.351 -8.455 0.397 1.00 0.00 C ATOM 1434 C VAL A 90 -5.228 -9.985 0.217 1.00 0.00 C ATOM 1435 O VAL A 90 -4.172 -10.496 -0.155 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.851 -8.011 1.835 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.622 -8.717 2.971 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.322 -8.196 2.005 1.00 0.00 C ATOM 0 H VAL A 90 -7.193 -7.572 0.937 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.701 -7.986 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.065 -6.945 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.241 -8.378 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.682 -8.477 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.487 -9.795 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.026 -7.879 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.065 -9.246 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.798 -7.593 1.263 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.341 -10.695 0.446 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.408 -12.164 0.328 1.00 0.00 C ATOM 1450 C TYR A 91 -6.554 -12.583 -1.153 1.00 0.00 C ATOM 1451 O TYR A 91 -6.241 -13.723 -1.526 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.601 -12.703 1.164 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.646 -12.168 2.612 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.892 -12.756 3.625 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.443 -11.068 2.955 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.928 -12.274 4.921 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.475 -10.582 4.247 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.721 -11.190 5.225 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.773 -10.717 6.515 1.00 0.00 O ATOM 0 H TYR A 91 -7.226 -10.268 0.720 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.482 -12.592 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.532 -12.440 0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.550 -13.791 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.267 -13.606 3.394 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.044 -10.591 2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.336 -12.746 5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.090 -9.728 4.489 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.894 -10.369 6.772 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.030 -11.635 -1.983 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.297 -11.854 -3.418 1.00 0.00 C ATOM 1471 C ASP A 92 -6.044 -11.661 -4.288 1.00 0.00 C ATOM 1472 O ASP A 92 -6.084 -11.948 -5.482 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.456 -10.931 -3.913 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.858 -11.421 -3.494 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.097 -11.602 -2.279 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.713 -11.652 -4.382 1.00 0.00 O ATOM 0 H ASP A 92 -7.242 -10.687 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.603 -12.895 -3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.300 -9.925 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.415 -10.861 -5.000 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.937 -11.192 -3.698 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.666 -11.015 -4.433 1.00 0.00 C ATOM 1483 C PHE A 93 -3.160 -12.375 -4.977 1.00 0.00 C ATOM 1484 O PHE A 93 -2.948 -12.524 -6.182 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.585 -10.359 -3.533 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.906 -8.964 -2.976 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -3.997 -8.220 -3.420 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.090 -8.396 -2.003 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.259 -6.963 -2.912 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.353 -7.141 -1.501 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.435 -6.422 -1.952 1.00 0.00 C ATOM 0 H PHE A 93 -4.890 -10.927 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.856 -10.349 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.392 -11.025 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.660 -10.292 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.649 -8.634 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.237 -8.948 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.112 -6.404 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.705 -6.718 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.637 -5.438 -1.555 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.036 -13.362 -4.065 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.556 -14.730 -4.377 1.00 0.00 C ATOM 1503 C GLU A 94 -3.374 -15.410 -5.499 1.00 0.00 C ATOM 1504 O GLU A 94 -2.793 -16.008 -6.408 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.555 -15.596 -3.080 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.342 -15.371 -2.149 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.066 -16.137 -2.574 1.00 0.00 C ATOM 1508 OE1 GLU A 94 0.037 -17.352 -2.279 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.844 -15.540 -3.178 1.00 0.00 O ATOM 0 H GLU A 94 -3.268 -13.233 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.537 -14.643 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.467 -15.388 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.587 -16.648 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.118 -14.305 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.614 -15.673 -1.137 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.718 -15.287 -5.444 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.620 -15.929 -6.433 1.00 0.00 C ATOM 1518 C LYS A 95 -5.614 -15.179 -7.787 1.00 0.00 C ATOM 1519 O LYS A 95 -5.948 -15.763 -8.823 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.063 -16.059 -5.871 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.727 -14.728 -5.491 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.162 -14.857 -4.914 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.226 -15.226 -5.963 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.197 -16.659 -6.349 1.00 0.00 N ATOM 0 H LYS A 95 -5.205 -14.750 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.238 -16.933 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.684 -16.560 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.039 -16.701 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.100 -14.222 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.762 -14.090 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.161 -15.614 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.440 -13.913 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.213 -14.982 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.077 -14.614 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.143 -17.072 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.913 -16.744 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.515 -17.166 -5.750 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.237 -13.885 -7.765 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.019 -13.082 -8.992 1.00 0.00 C ATOM 1540 C TYR A 96 -3.631 -13.382 -9.602 1.00 0.00 C ATOM 1541 O TYR A 96 -3.376 -13.035 -10.757 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.195 -11.558 -8.691 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.656 -11.056 -8.716 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.676 -11.732 -8.035 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -7.012 -9.907 -9.433 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.981 -11.282 -8.066 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.318 -9.458 -9.464 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.296 -10.148 -8.780 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.597 -9.695 -8.808 1.00 0.00 O ATOM 0 H TYR A 96 -5.075 -13.366 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.771 -13.364 -9.729 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.769 -11.344 -7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.618 -10.989 -9.420 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.437 -12.623 -7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.251 -9.362 -9.972 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.752 -11.818 -7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.572 -8.569 -10.022 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.649 -8.884 -9.355 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.743 -14.022 -8.816 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.440 -14.501 -9.313 1.00 0.00 C ATOM 1561 C GLY A 97 -0.263 -13.696 -8.782 1.00 0.00 C ATOM 1562 O GLY A 97 0.849 -13.787 -9.318 1.00 0.00 O ATOM 0 H GLY A 97 -2.907 -14.220 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.313 -15.546 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.437 -14.461 -10.402 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.514 -12.899 -7.734 1.00 0.00 N ATOM 1567 CA PHE A 98 0.502 -12.058 -7.083 1.00 0.00 C ATOM 1568 C PHE A 98 1.095 -12.791 -5.877 1.00 0.00 C ATOM 1569 O PHE A 98 0.353 -13.276 -5.019 1.00 0.00 O ATOM 1570 CB PHE A 98 -0.112 -10.708 -6.643 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.666 -9.888 -7.805 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.201 -9.294 -8.716 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -2.037 -9.708 -7.979 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.280 -8.550 -9.771 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.519 -8.963 -9.035 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.642 -8.383 -9.930 1.00 0.00 C ATOM 0 H PHE A 98 -1.438 -12.819 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 98 1.298 -11.856 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.912 -10.897 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.648 -10.123 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.267 -9.418 -8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.728 -10.156 -7.281 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.406 -8.098 -10.472 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.584 -8.833 -9.162 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.021 -7.798 -10.755 1.00 0.00 H new ATOM 1586 N ARG A 99 2.436 -12.863 -5.847 1.00 0.00 N ATOM 1587 CA ARG A 99 3.210 -13.483 -4.761 1.00 0.00 C ATOM 1588 C ARG A 99 3.020 -12.712 -3.446 1.00 0.00 C ATOM 1589 O ARG A 99 3.126 -11.485 -3.408 1.00 0.00 O ATOM 1590 CB ARG A 99 4.709 -13.546 -5.178 1.00 0.00 C ATOM 1591 CG ARG A 99 5.746 -13.846 -4.060 1.00 0.00 C ATOM 1592 CD ARG A 99 5.515 -15.167 -3.316 1.00 0.00 C ATOM 1593 NE ARG A 99 6.599 -15.436 -2.355 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.558 -16.329 -1.357 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.485 -17.086 -1.146 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.603 -16.462 -0.566 1.00 0.00 N ATOM 0 H ARG A 99 3.022 -12.485 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 99 2.851 -14.498 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.813 -14.310 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.972 -12.593 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.743 -13.862 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.730 -13.029 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.561 -15.129 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.451 -15.985 -4.034 1.00 0.00 H new ATOM 0 HE ARG A 99 7.457 -14.894 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.669 -16.994 -1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.478 -17.759 -0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.433 -15.888 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.582 -17.139 0.197 1.00 0.00 H new ATOM 1610 N MET A 100 2.724 -13.471 -2.384 1.00 0.00 N ATOM 1611 CA MET A 100 2.559 -12.964 -1.010 1.00 0.00 C ATOM 1612 C MET A 100 3.292 -13.872 -0.021 1.00 0.00 C ATOM 1613 O MET A 100 3.782 -14.943 -0.382 1.00 0.00 O ATOM 1614 CB MET A 100 1.064 -12.890 -0.602 1.00 0.00 C ATOM 1615 CG MET A 100 0.180 -12.016 -1.493 1.00 0.00 C ATOM 1616 SD MET A 100 -1.442 -11.728 -0.764 1.00 0.00 S ATOM 1617 CE MET A 100 -0.995 -10.832 0.715 1.00 0.00 C ATOM 0 H MET A 100 2.589 -14.480 -2.455 1.00 0.00 H new ATOM 0 HA MET A 100 2.980 -11.959 -0.984 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.657 -13.901 -0.596 1.00 0.00 H new ATOM 0 HB3 MET A 100 1.003 -12.516 0.420 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.674 -11.060 -1.667 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.060 -12.494 -2.465 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.750 -10.074 0.923 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.934 -11.524 1.555 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.028 -10.351 0.570 1.00 0.00 H new ATOM 1627 N VAL A 101 3.313 -13.436 1.240 1.00 0.00 N ATOM 1628 CA VAL A 101 3.950 -14.145 2.356 1.00 0.00 C ATOM 1629 C VAL A 101 2.870 -14.467 3.411 1.00 0.00 C ATOM 1630 O VAL A 101 1.934 -13.673 3.609 1.00 0.00 O ATOM 1631 CB VAL A 101 5.097 -13.275 3.009 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.892 -14.069 4.075 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.045 -12.689 1.939 1.00 0.00 C ATOM 0 H VAL A 101 2.877 -12.558 1.522 1.00 0.00 H new ATOM 0 HA VAL A 101 4.404 -15.063 1.982 1.00 0.00 H new ATOM 0 HB VAL A 101 4.609 -12.443 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.670 -13.433 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.216 -14.391 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.350 -14.943 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.821 -12.097 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.507 -13.501 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.477 -12.055 1.258 1.00 0.00 H new ATOM 1643 N TYR A 102 2.999 -15.642 4.051 1.00 0.00 N ATOM 1644 CA TYR A 102 2.144 -16.083 5.172 1.00 0.00 C ATOM 1645 C TYR A 102 3.036 -16.567 6.325 1.00 0.00 C ATOM 1646 O TYR A 102 4.142 -17.077 6.075 1.00 0.00 O ATOM 1647 CB TYR A 102 1.190 -17.227 4.744 1.00 0.00 C ATOM 1648 CG TYR A 102 0.161 -16.850 3.667 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -1.092 -16.345 4.017 1.00 0.00 C ATOM 1650 CD2 TYR A 102 0.435 -17.018 2.307 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -2.026 -16.030 3.056 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -0.500 -16.694 1.342 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.729 -16.203 1.724 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.677 -15.895 0.772 1.00 0.00 O ATOM 0 H TYR A 102 3.713 -16.326 3.801 1.00 0.00 H new ATOM 0 HA TYR A 102 1.534 -15.237 5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.789 -18.060 4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.656 -17.583 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.333 -16.199 5.060 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.395 -17.408 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.993 -15.647 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.268 -16.825 0.295 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.251 -15.173 1.104 1.00 0.00 H new