USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=21 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 15 ASN : amide:sc= 1.1 K(o=1.1,f=-11!) USER MOD Set 1.2: A 35 ASN : amide:sc=0.000163 K(o=1.1,f=-0.51) USER MOD Single : A 5 TYR OH : rot 30: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 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.707 X(o=-0.71,f=-0.51) USER MOD Single : A 37 THR OG1 : rot 179:sc= 0.273 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.4) USER MOD Single : A 44 GLN : amide:sc= 0.298 X(o=0.3,f=-0.056) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 0.52 (180deg=0.189) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.857 K(o=-0.86,f=-0.19) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= -1.1 (180deg=-2.84!) USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.707! (180deg=-1.39!) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= 0.948 (180deg=-0.0392) USER MOD Single : A 62 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-3.2!) USER MOD Single : A 63 CYS SG : rot 40:sc= -2! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00964 USER MOD Single : A 76 MET CE :methyl -142:sc= -1.7! (180deg=-3.93!) USER MOD Single : A 77 HIS : no HD1:sc= -0.76 K(o=-0.76,f=-2.3!) USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 82 THR OG1 : rot 54:sc= 0.0351 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 89 ASN : amide:sc= -0.728 K(o=-0.73,f=-0.012) USER MOD Single : A 91 TYR OH : rot 57:sc= 0.334 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 136:sc= -2.81! (180deg=-3.23!) USER MOD Single : A 102 TYR OH : rot 51:sc= 0.214 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.349 12.434 -6.659 1.00 0.00 N ATOM 21 CA LEU A 2 -4.887 11.051 -6.405 1.00 0.00 C ATOM 22 C LEU A 2 -5.945 9.988 -6.759 1.00 0.00 C ATOM 23 O LEU A 2 -5.614 8.810 -6.806 1.00 0.00 O ATOM 24 CB LEU A 2 -4.390 10.840 -4.946 1.00 0.00 C ATOM 25 CG LEU A 2 -5.441 10.441 -3.857 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.737 9.980 -2.572 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.437 11.575 -3.564 1.00 0.00 C ATOM 0 HA LEU A 2 -4.038 10.915 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.621 10.068 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.908 11.762 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.021 9.608 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.483 9.707 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.109 9.116 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.118 10.790 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.145 11.249 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.896 12.451 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.977 11.830 -4.476 1.00 0.00 H new ATOM 39 N GLU A 3 -7.217 10.376 -6.992 1.00 0.00 N ATOM 40 CA GLU A 3 -8.241 9.403 -7.464 1.00 0.00 C ATOM 41 C GLU A 3 -7.895 8.908 -8.900 1.00 0.00 C ATOM 42 O GLU A 3 -8.445 7.920 -9.380 1.00 0.00 O ATOM 43 CB GLU A 3 -9.705 9.934 -7.375 1.00 0.00 C ATOM 44 CG GLU A 3 -10.054 11.164 -8.237 1.00 0.00 C ATOM 45 CD GLU A 3 -9.596 12.494 -7.619 1.00 0.00 C ATOM 46 OE1 GLU A 3 -10.356 13.090 -6.822 1.00 0.00 O ATOM 47 OE2 GLU A 3 -8.470 12.932 -7.901 1.00 0.00 O ATOM 0 H GLU A 3 -7.559 11.329 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.205 8.557 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.378 9.123 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.914 10.179 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.595 11.052 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.133 11.196 -8.391 1.00 0.00 H new ATOM 54 N ASP A 4 -6.975 9.641 -9.566 1.00 0.00 N ATOM 55 CA ASP A 4 -6.290 9.200 -10.805 1.00 0.00 C ATOM 56 C ASP A 4 -5.259 8.081 -10.493 1.00 0.00 C ATOM 57 O ASP A 4 -5.079 7.145 -11.276 1.00 0.00 O ATOM 58 CB ASP A 4 -5.577 10.413 -11.449 1.00 0.00 C ATOM 59 CG ASP A 4 -4.790 10.076 -12.729 1.00 0.00 C ATOM 60 OD1 ASP A 4 -5.424 9.792 -13.769 1.00 0.00 O ATOM 61 OD2 ASP A 4 -3.535 10.083 -12.699 1.00 0.00 O ATOM 0 H ASP A 4 -6.683 10.568 -9.255 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.029 8.797 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.320 11.175 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.894 10.848 -10.720 1.00 0.00 H new ATOM 66 N TYR A 5 -4.591 8.210 -9.327 1.00 0.00 N ATOM 67 CA TYR A 5 -3.601 7.224 -8.805 1.00 0.00 C ATOM 68 C TYR A 5 -4.311 5.985 -8.194 1.00 0.00 C ATOM 69 O TYR A 5 -3.646 5.101 -7.632 1.00 0.00 O ATOM 70 CB TYR A 5 -2.699 7.885 -7.705 1.00 0.00 C ATOM 71 CG TYR A 5 -1.714 8.984 -8.174 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.106 10.015 -9.034 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.384 8.984 -7.734 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.213 10.993 -9.435 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.508 9.959 -8.132 1.00 0.00 C ATOM 76 CZ TYR A 5 0.094 10.957 -8.979 1.00 0.00 C ATOM 77 OH TYR A 5 0.987 11.929 -9.369 1.00 0.00 O ATOM 0 H TYR A 5 -4.721 9.010 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.985 6.903 -9.645 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.351 8.316 -6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.122 7.097 -7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.124 10.048 -9.392 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.049 8.203 -7.068 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.534 11.781 -10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.528 9.937 -7.778 1.00 0.00 H new ATOM 0 HH TYR A 5 0.507 12.767 -9.534 1.00 0.00 H new ATOM 87 N ALA A 6 -5.663 5.952 -8.272 1.00 0.00 N ATOM 88 CA ALA A 6 -6.486 4.844 -7.763 1.00 0.00 C ATOM 89 C ALA A 6 -6.337 3.603 -8.652 1.00 0.00 C ATOM 90 O ALA A 6 -7.117 3.398 -9.594 1.00 0.00 O ATOM 91 CB ALA A 6 -7.961 5.277 -7.662 1.00 0.00 C ATOM 0 H ALA A 6 -6.211 6.702 -8.694 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.137 4.583 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.559 4.447 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.046 6.125 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.324 5.566 -8.648 1.00 0.00 H new ATOM 97 N ILE A 7 -5.307 2.797 -8.368 1.00 0.00 N ATOM 98 CA ILE A 7 -5.014 1.579 -9.128 1.00 0.00 C ATOM 99 C ILE A 7 -5.896 0.431 -8.605 1.00 0.00 C ATOM 100 O ILE A 7 -5.964 0.196 -7.391 1.00 0.00 O ATOM 101 CB ILE A 7 -3.483 1.204 -9.055 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.602 2.427 -9.493 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.169 -0.043 -9.920 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.110 2.152 -9.604 1.00 0.00 C ATOM 0 H ILE A 7 -4.654 2.972 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.243 1.756 -10.179 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.242 0.956 -8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.961 2.784 -10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.753 3.236 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.107 -0.277 -9.849 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.752 -0.891 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.427 0.161 -10.959 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.594 3.061 -9.912 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.727 1.828 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.938 1.369 -10.343 1.00 0.00 H new ATOM 116 N SER A 8 -6.607 -0.233 -9.526 1.00 0.00 N ATOM 117 CA SER A 8 -7.446 -1.400 -9.220 1.00 0.00 C ATOM 118 C SER A 8 -6.580 -2.678 -9.131 1.00 0.00 C ATOM 119 O SER A 8 -5.503 -2.745 -9.740 1.00 0.00 O ATOM 120 CB SER A 8 -8.516 -1.549 -10.320 1.00 0.00 C ATOM 121 OG SER A 8 -9.272 -0.357 -10.471 1.00 0.00 O ATOM 0 H SER A 8 -6.616 0.027 -10.512 1.00 0.00 H new ATOM 0 HA SER A 8 -7.934 -1.256 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.035 -1.799 -11.266 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.182 -2.375 -10.072 1.00 0.00 H new ATOM 0 HG SER A 8 -9.941 -0.481 -11.176 1.00 0.00 H new ATOM 127 N LEU A 9 -7.052 -3.690 -8.379 1.00 0.00 N ATOM 128 CA LEU A 9 -6.337 -4.979 -8.229 1.00 0.00 C ATOM 129 C LEU A 9 -6.252 -5.734 -9.579 1.00 0.00 C ATOM 130 O LEU A 9 -5.257 -6.409 -9.864 1.00 0.00 O ATOM 131 CB LEU A 9 -7.012 -5.850 -7.127 1.00 0.00 C ATOM 132 CG LEU A 9 -6.410 -7.277 -6.879 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.884 -7.233 -6.638 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.131 -7.988 -5.709 1.00 0.00 C ATOM 0 H LEU A 9 -7.930 -3.642 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.315 -4.770 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.973 -5.298 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.065 -5.967 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.576 -7.854 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.513 -8.244 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.390 -6.804 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.671 -6.619 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.694 -8.975 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.017 -7.398 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.190 -8.092 -5.944 1.00 0.00 H new ATOM 146 N GLU A 10 -7.278 -5.559 -10.418 1.00 0.00 N ATOM 147 CA GLU A 10 -7.385 -6.227 -11.734 1.00 0.00 C ATOM 148 C GLU A 10 -6.400 -5.651 -12.790 1.00 0.00 C ATOM 149 O GLU A 10 -6.225 -6.250 -13.857 1.00 0.00 O ATOM 150 CB GLU A 10 -8.851 -6.121 -12.236 1.00 0.00 C ATOM 151 CG GLU A 10 -9.335 -4.676 -12.497 1.00 0.00 C ATOM 152 CD GLU A 10 -10.831 -4.590 -12.830 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.197 -4.702 -14.023 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.646 -4.426 -11.896 1.00 0.00 O ATOM 0 H GLU A 10 -8.067 -4.947 -10.208 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.106 -7.272 -11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.949 -6.696 -13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.508 -6.584 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.130 -4.066 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.761 -4.251 -13.320 1.00 0.00 H new ATOM 161 N GLU A 11 -5.753 -4.502 -12.487 1.00 0.00 N ATOM 162 CA GLU A 11 -4.825 -3.821 -13.433 1.00 0.00 C ATOM 163 C GLU A 11 -3.406 -3.655 -12.841 1.00 0.00 C ATOM 164 O GLU A 11 -2.480 -3.257 -13.564 1.00 0.00 O ATOM 165 CB GLU A 11 -5.389 -2.425 -13.825 1.00 0.00 C ATOM 166 CG GLU A 11 -5.532 -1.446 -12.639 1.00 0.00 C ATOM 167 CD GLU A 11 -5.860 0.000 -13.039 1.00 0.00 C ATOM 168 OE1 GLU A 11 -5.032 0.632 -13.734 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.917 0.526 -12.621 1.00 0.00 O ATOM 0 H GLU A 11 -5.854 -4.022 -11.593 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.747 -4.453 -14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.735 -1.978 -14.574 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.365 -2.558 -14.292 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.315 -1.812 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.603 -1.449 -12.068 1.00 0.00 H new ATOM 176 N VAL A 12 -3.234 -3.964 -11.541 1.00 0.00 N ATOM 177 CA VAL A 12 -1.994 -3.639 -10.799 1.00 0.00 C ATOM 178 C VAL A 12 -0.841 -4.611 -11.129 1.00 0.00 C ATOM 179 O VAL A 12 -1.067 -5.766 -11.504 1.00 0.00 O ATOM 180 CB VAL A 12 -2.242 -3.615 -9.239 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.500 -5.022 -8.657 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.092 -2.899 -8.490 1.00 0.00 C ATOM 0 H VAL A 12 -3.939 -4.440 -10.979 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.698 -2.642 -11.125 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.153 -3.038 -9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.664 -4.947 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.382 -5.455 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.636 -5.659 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.298 -2.902 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.154 -3.420 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.014 -1.870 -8.841 1.00 0.00 H new ATOM 192 N ASN A 13 0.396 -4.106 -11.013 1.00 0.00 N ATOM 193 CA ASN A 13 1.630 -4.902 -11.093 1.00 0.00 C ATOM 194 C ASN A 13 2.528 -4.473 -9.928 1.00 0.00 C ATOM 195 O ASN A 13 3.256 -3.500 -10.053 1.00 0.00 O ATOM 196 CB ASN A 13 2.356 -4.678 -12.454 1.00 0.00 C ATOM 197 CG ASN A 13 1.503 -5.039 -13.674 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.519 -6.172 -14.149 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.743 -4.078 -14.189 1.00 0.00 N ATOM 0 H ASN A 13 0.570 -3.113 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 13 1.396 -5.965 -11.029 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.656 -3.633 -12.528 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.269 -5.273 -12.471 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.154 -4.273 -14.999 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.749 -3.146 -13.775 1.00 0.00 H new ATOM 206 N PHE A 14 2.440 -5.177 -8.781 1.00 0.00 N ATOM 207 CA PHE A 14 3.146 -4.782 -7.532 1.00 0.00 C ATOM 208 C PHE A 14 4.679 -4.675 -7.732 1.00 0.00 C ATOM 209 O PHE A 14 5.333 -3.834 -7.110 1.00 0.00 O ATOM 210 CB PHE A 14 2.812 -5.764 -6.373 1.00 0.00 C ATOM 211 CG PHE A 14 1.356 -5.697 -5.904 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.854 -4.540 -5.322 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.498 -6.780 -6.036 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.455 -4.468 -4.893 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.816 -6.711 -5.605 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.291 -5.555 -5.035 1.00 0.00 C ATOM 0 H PHE A 14 1.885 -6.028 -8.688 1.00 0.00 H new ATOM 0 HA PHE A 14 2.786 -3.789 -7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.033 -6.781 -6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.466 -5.549 -5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.499 -3.682 -5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.862 -7.693 -6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.826 -3.558 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.467 -7.565 -5.717 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.316 -5.498 -4.699 1.00 0.00 H new ATOM 226 N ASN A 15 5.218 -5.510 -8.633 1.00 0.00 N ATOM 227 CA ASN A 15 6.661 -5.516 -8.984 1.00 0.00 C ATOM 228 C ASN A 15 7.092 -4.215 -9.691 1.00 0.00 C ATOM 229 O ASN A 15 8.256 -3.818 -9.605 1.00 0.00 O ATOM 230 CB ASN A 15 6.986 -6.740 -9.873 1.00 0.00 C ATOM 231 CG ASN A 15 6.826 -8.069 -9.138 1.00 0.00 C ATOM 232 OD1 ASN A 15 7.092 -8.163 -7.939 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.355 -9.091 -9.837 1.00 0.00 N ATOM 0 H ASN A 15 4.672 -6.204 -9.144 1.00 0.00 H new ATOM 0 HA ASN A 15 7.224 -5.582 -8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.333 -6.732 -10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.009 -6.655 -10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.202 -9.992 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.146 -8.977 -10.829 1.00 0.00 H new ATOM 240 N ASP A 16 6.143 -3.568 -10.386 1.00 0.00 N ATOM 241 CA ASP A 16 6.385 -2.310 -11.121 1.00 0.00 C ATOM 242 C ASP A 16 6.664 -1.132 -10.159 1.00 0.00 C ATOM 243 O ASP A 16 7.332 -0.170 -10.537 1.00 0.00 O ATOM 244 CB ASP A 16 5.173 -1.980 -12.042 1.00 0.00 C ATOM 245 CG ASP A 16 5.365 -0.716 -12.908 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.334 -0.665 -13.696 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.556 0.230 -12.807 1.00 0.00 O ATOM 0 H ASP A 16 5.182 -3.902 -10.456 1.00 0.00 H new ATOM 0 HA ASP A 16 7.273 -2.452 -11.737 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.986 -2.831 -12.697 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.285 -1.852 -11.424 1.00 0.00 H new ATOM 252 N PHE A 17 6.158 -1.221 -8.909 1.00 0.00 N ATOM 253 CA PHE A 17 6.297 -0.142 -7.896 1.00 0.00 C ATOM 254 C PHE A 17 7.053 -0.683 -6.663 1.00 0.00 C ATOM 255 O PHE A 17 7.391 -1.874 -6.597 1.00 0.00 O ATOM 256 CB PHE A 17 4.893 0.414 -7.453 1.00 0.00 C ATOM 257 CG PHE A 17 3.806 0.383 -8.537 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.620 1.450 -9.397 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.987 -0.733 -8.699 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.664 1.412 -10.384 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.022 -0.769 -9.687 1.00 0.00 C ATOM 262 CZ PHE A 17 1.863 0.298 -10.532 1.00 0.00 C ATOM 0 H PHE A 17 5.645 -2.035 -8.572 1.00 0.00 H new ATOM 0 HA PHE A 17 6.858 0.676 -8.347 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.546 -0.163 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.018 1.443 -7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.238 2.330 -9.291 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.108 -1.582 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.539 2.256 -11.046 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.392 -1.640 -9.794 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.115 0.267 -11.310 1.00 0.00 H new ATOM 272 N ILE A 18 7.339 0.212 -5.702 1.00 0.00 N ATOM 273 CA ILE A 18 7.774 -0.161 -4.346 1.00 0.00 C ATOM 274 C ILE A 18 6.556 -0.015 -3.429 1.00 0.00 C ATOM 275 O ILE A 18 6.119 1.101 -3.131 1.00 0.00 O ATOM 276 CB ILE A 18 8.969 0.725 -3.822 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.181 0.663 -4.813 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.393 0.287 -2.392 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.372 1.528 -4.421 1.00 0.00 C ATOM 0 H ILE A 18 7.274 1.220 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 18 8.148 -1.185 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 18 8.631 1.760 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.513 -0.372 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.839 0.967 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.219 0.911 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.548 0.398 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.710 -0.756 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.161 1.420 -5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.062 2.572 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.746 1.212 -3.447 1.00 0.00 H new ATOM 291 N VAL A 19 6.002 -1.151 -3.004 1.00 0.00 N ATOM 292 CA VAL A 19 4.685 -1.207 -2.369 1.00 0.00 C ATOM 293 C VAL A 19 4.814 -0.961 -0.855 1.00 0.00 C ATOM 294 O VAL A 19 5.879 -1.175 -0.261 1.00 0.00 O ATOM 295 CB VAL A 19 4.005 -2.597 -2.698 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.578 -2.730 -2.127 1.00 0.00 C ATOM 297 CG2 VAL A 19 3.997 -2.843 -4.227 1.00 0.00 C ATOM 0 H VAL A 19 6.455 -2.061 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 19 4.044 -0.419 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 19 4.608 -3.360 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.171 -3.706 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.609 -2.629 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.944 -1.948 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.526 -3.803 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.438 -2.048 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.021 -2.851 -4.600 1.00 0.00 H new ATOM 307 N VAL A 20 3.729 -0.459 -0.250 1.00 0.00 N ATOM 308 CA VAL A 20 3.629 -0.199 1.188 1.00 0.00 C ATOM 309 C VAL A 20 2.355 -0.852 1.725 1.00 0.00 C ATOM 310 O VAL A 20 1.263 -0.650 1.185 1.00 0.00 O ATOM 311 CB VAL A 20 3.622 1.346 1.508 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.285 1.637 2.990 1.00 0.00 C ATOM 313 CG2 VAL A 20 4.971 1.995 1.132 1.00 0.00 C ATOM 0 H VAL A 20 2.879 -0.218 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 20 4.506 -0.626 1.675 1.00 0.00 H new ATOM 0 HB VAL A 20 2.834 1.788 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.293 2.714 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.297 1.240 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.028 1.163 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.939 3.060 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.772 1.524 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.155 1.860 0.066 1.00 0.00 H new ATOM 323 N ASP A 21 2.521 -1.658 2.767 1.00 0.00 N ATOM 324 CA ASP A 21 1.417 -2.205 3.550 1.00 0.00 C ATOM 325 C ASP A 21 0.927 -1.093 4.494 1.00 0.00 C ATOM 326 O ASP A 21 1.650 -0.756 5.414 1.00 0.00 O ATOM 327 CB ASP A 21 1.941 -3.436 4.359 1.00 0.00 C ATOM 328 CG ASP A 21 0.825 -4.339 4.895 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.227 -4.036 5.946 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.531 -5.360 4.238 1.00 0.00 O ATOM 0 H ASP A 21 3.439 -1.955 3.097 1.00 0.00 H new ATOM 0 HA ASP A 21 0.594 -2.535 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.599 -4.026 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.543 -3.081 5.196 1.00 0.00 H new ATOM 335 N VAL A 22 -0.239 -0.469 4.213 1.00 0.00 N ATOM 336 CA VAL A 22 -0.844 0.546 5.121 1.00 0.00 C ATOM 337 C VAL A 22 -2.049 -0.059 5.846 1.00 0.00 C ATOM 338 O VAL A 22 -3.209 0.121 5.444 1.00 0.00 O ATOM 339 CB VAL A 22 -1.258 1.887 4.381 1.00 0.00 C ATOM 340 CG1 VAL A 22 -0.022 2.770 4.099 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.033 1.588 3.071 1.00 0.00 C ATOM 0 H VAL A 22 -0.783 -0.646 3.368 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.075 0.823 5.842 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.923 2.439 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.335 3.682 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.464 3.027 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.678 2.225 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.303 2.526 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.404 1.002 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.937 1.026 3.304 1.00 0.00 H new ATOM 351 N ARG A 23 -1.771 -0.814 6.919 1.00 0.00 N ATOM 352 CA ARG A 23 -2.821 -1.497 7.697 1.00 0.00 C ATOM 353 C ARG A 23 -2.426 -1.525 9.183 1.00 0.00 C ATOM 354 O ARG A 23 -2.778 -0.605 9.939 1.00 0.00 O ATOM 355 CB ARG A 23 -3.098 -2.940 7.146 1.00 0.00 C ATOM 356 CG ARG A 23 -3.566 -3.003 5.664 1.00 0.00 C ATOM 357 CD ARG A 23 -3.755 -4.430 5.154 1.00 0.00 C ATOM 358 NE ARG A 23 -2.525 -5.216 5.244 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.453 -6.513 5.536 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.539 -7.226 5.828 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.275 -7.088 5.586 1.00 0.00 N ATOM 0 H ARG A 23 -0.826 -0.969 7.270 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.752 -0.939 7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.189 -3.532 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.857 -3.411 7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.506 -2.460 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.835 -2.493 5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.540 -4.919 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.091 -4.402 4.118 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.647 -4.729 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.456 -6.780 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.454 -8.218 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.433 -6.542 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.201 -8.081 5.808 1.00 0.00 H new ATOM 375 N GLU A 24 -1.636 -2.537 9.577 1.00 0.00 N ATOM 376 CA GLU A 24 -1.306 -2.806 10.987 1.00 0.00 C ATOM 377 C GLU A 24 -0.170 -3.849 11.034 1.00 0.00 C ATOM 378 O GLU A 24 0.011 -4.609 10.074 1.00 0.00 O ATOM 379 CB GLU A 24 -2.589 -3.319 11.764 1.00 0.00 C ATOM 380 CG GLU A 24 -2.758 -2.796 13.212 1.00 0.00 C ATOM 381 CD GLU A 24 -1.721 -3.332 14.214 1.00 0.00 C ATOM 382 OE1 GLU A 24 -1.911 -4.451 14.728 1.00 0.00 O ATOM 383 OE2 GLU A 24 -0.718 -2.644 14.497 1.00 0.00 O ATOM 0 H GLU A 24 -1.207 -3.194 8.925 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.973 -1.891 11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.473 -3.038 11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.561 -4.408 11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.702 -1.707 13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.755 -3.060 13.565 1.00 0.00 H new ATOM 390 N LEU A 25 0.592 -3.859 12.148 1.00 0.00 N ATOM 391 CA LEU A 25 1.603 -4.890 12.450 1.00 0.00 C ATOM 392 C LEU A 25 0.979 -6.290 12.372 1.00 0.00 C ATOM 393 O LEU A 25 1.468 -7.133 11.632 1.00 0.00 O ATOM 394 CB LEU A 25 2.219 -4.640 13.860 1.00 0.00 C ATOM 395 CG LEU A 25 3.201 -5.727 14.422 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.407 -5.951 13.487 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.667 -5.363 15.855 1.00 0.00 C ATOM 0 H LEU A 25 0.520 -3.142 12.870 1.00 0.00 H new ATOM 0 HA LEU A 25 2.399 -4.829 11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.750 -3.689 13.832 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.400 -4.527 14.570 1.00 0.00 H new ATOM 0 HG LEU A 25 2.652 -6.667 14.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.062 -6.711 13.913 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.054 -6.283 12.511 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.959 -5.018 13.375 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.347 -6.132 16.223 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.181 -4.402 15.837 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.801 -5.299 16.514 1.00 0.00 H new ATOM 409 N ASP A 26 -0.133 -6.491 13.100 1.00 0.00 N ATOM 410 CA ASP A 26 -0.841 -7.790 13.158 1.00 0.00 C ATOM 411 C ASP A 26 -1.266 -8.258 11.754 1.00 0.00 C ATOM 412 O ASP A 26 -1.061 -9.421 11.391 1.00 0.00 O ATOM 413 CB ASP A 26 -2.070 -7.686 14.089 1.00 0.00 C ATOM 414 CG ASP A 26 -2.800 -9.027 14.300 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.287 -9.878 15.058 1.00 0.00 O ATOM 416 OD2 ASP A 26 -3.889 -9.232 13.720 1.00 0.00 O ATOM 0 H ASP A 26 -0.569 -5.762 13.665 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.153 -8.533 13.562 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.750 -7.300 15.057 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.771 -6.962 13.673 1.00 0.00 H new ATOM 421 N GLU A 27 -1.813 -7.315 10.966 1.00 0.00 N ATOM 422 CA GLU A 27 -2.248 -7.584 9.584 1.00 0.00 C ATOM 423 C GLU A 27 -1.064 -7.967 8.669 1.00 0.00 C ATOM 424 O GLU A 27 -1.205 -8.818 7.782 1.00 0.00 O ATOM 425 CB GLU A 27 -3.018 -6.373 9.005 1.00 0.00 C ATOM 426 CG GLU A 27 -4.435 -6.172 9.582 1.00 0.00 C ATOM 427 CD GLU A 27 -5.369 -5.407 8.635 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.705 -5.963 7.565 1.00 0.00 O ATOM 429 OE2 GLU A 27 -5.756 -4.258 8.930 1.00 0.00 O ATOM 0 H GLU A 27 -1.965 -6.352 11.266 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.922 -8.440 9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.436 -5.470 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.094 -6.492 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.871 -7.146 9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.363 -5.632 10.526 1.00 0.00 H new ATOM 436 N TYR A 28 0.085 -7.326 8.894 1.00 0.00 N ATOM 437 CA TYR A 28 1.352 -7.616 8.189 1.00 0.00 C ATOM 438 C TYR A 28 1.823 -9.059 8.470 1.00 0.00 C ATOM 439 O TYR A 28 2.313 -9.755 7.563 1.00 0.00 O ATOM 440 CB TYR A 28 2.407 -6.560 8.639 1.00 0.00 C ATOM 441 CG TYR A 28 3.901 -6.940 8.506 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.576 -7.572 9.561 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.634 -6.646 7.358 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.913 -7.890 9.467 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.978 -6.969 7.267 1.00 0.00 C ATOM 446 CZ TYR A 28 6.609 -7.588 8.322 1.00 0.00 C ATOM 447 OH TYR A 28 7.944 -7.911 8.231 1.00 0.00 O ATOM 0 H TYR A 28 0.171 -6.577 9.581 1.00 0.00 H new ATOM 0 HA TYR A 28 1.210 -7.546 7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.239 -5.650 8.063 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.214 -6.316 9.684 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.037 -7.814 10.465 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.147 -6.159 6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.413 -8.376 10.292 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.530 -6.735 6.369 1.00 0.00 H new ATOM 0 HH TYR A 28 8.289 -7.632 7.357 1.00 0.00 H new ATOM 457 N GLU A 29 1.662 -9.486 9.738 1.00 0.00 N ATOM 458 CA GLU A 29 2.161 -10.784 10.231 1.00 0.00 C ATOM 459 C GLU A 29 1.399 -11.953 9.598 1.00 0.00 C ATOM 460 O GLU A 29 2.013 -12.883 9.072 1.00 0.00 O ATOM 461 CB GLU A 29 2.068 -10.858 11.779 1.00 0.00 C ATOM 462 CG GLU A 29 2.841 -9.747 12.511 1.00 0.00 C ATOM 463 CD GLU A 29 2.704 -9.819 14.036 1.00 0.00 C ATOM 464 OE1 GLU A 29 3.386 -10.658 14.659 1.00 0.00 O ATOM 465 OE2 GLU A 29 1.917 -9.049 14.624 1.00 0.00 O ATOM 0 H GLU A 29 1.181 -8.938 10.451 1.00 0.00 H new ATOM 0 HA GLU A 29 3.208 -10.865 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.019 -10.809 12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.446 -11.826 12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.896 -9.811 12.244 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.483 -8.777 12.166 1.00 0.00 H new ATOM 472 N GLU A 30 0.058 -11.880 9.648 1.00 0.00 N ATOM 473 CA GLU A 30 -0.831 -12.931 9.104 1.00 0.00 C ATOM 474 C GLU A 30 -0.614 -13.134 7.586 1.00 0.00 C ATOM 475 O GLU A 30 -0.479 -14.274 7.128 1.00 0.00 O ATOM 476 CB GLU A 30 -2.321 -12.618 9.439 1.00 0.00 C ATOM 477 CG GLU A 30 -2.751 -11.172 9.156 1.00 0.00 C ATOM 478 CD GLU A 30 -4.178 -10.825 9.610 1.00 0.00 C ATOM 479 OE1 GLU A 30 -4.455 -10.890 10.827 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.032 -10.504 8.754 1.00 0.00 O ATOM 0 H GLU A 30 -0.443 -11.095 10.064 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.571 -13.873 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.958 -13.291 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.496 -12.835 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.053 -10.497 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.670 -10.986 8.085 1.00 0.00 H new ATOM 487 N LEU A 31 -0.546 -12.022 6.827 1.00 0.00 N ATOM 488 CA LEU A 31 -0.239 -12.051 5.380 1.00 0.00 C ATOM 489 C LEU A 31 0.100 -10.643 4.874 1.00 0.00 C ATOM 490 O LEU A 31 -0.524 -9.674 5.288 1.00 0.00 O ATOM 491 CB LEU A 31 -1.405 -12.655 4.525 1.00 0.00 C ATOM 492 CG LEU A 31 -2.688 -11.776 4.273 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.631 -12.445 3.252 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.448 -11.454 5.576 1.00 0.00 C ATOM 0 H LEU A 31 -0.701 -11.084 7.195 1.00 0.00 H new ATOM 0 HA LEU A 31 0.625 -12.704 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.995 -12.929 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.726 -13.578 5.008 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.338 -10.830 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.507 -11.815 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.108 -12.576 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.945 -13.418 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.323 -10.846 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.765 -12.382 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.793 -10.905 6.253 1.00 0.00 H new ATOM 506 N HIS A 32 1.090 -10.541 3.976 1.00 0.00 N ATOM 507 CA HIS A 32 1.436 -9.271 3.306 1.00 0.00 C ATOM 508 C HIS A 32 2.262 -9.578 2.055 1.00 0.00 C ATOM 509 O HIS A 32 2.829 -10.661 1.940 1.00 0.00 O ATOM 510 CB HIS A 32 2.221 -8.320 4.260 1.00 0.00 C ATOM 511 CG HIS A 32 3.648 -8.741 4.514 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.985 -9.924 5.129 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.822 -8.147 4.185 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.296 -10.040 5.152 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.824 -8.980 4.590 1.00 0.00 N ATOM 0 H HIS A 32 1.673 -11.329 3.692 1.00 0.00 H new ATOM 0 HA HIS A 32 0.516 -8.759 3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.220 -7.316 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.695 -8.264 5.213 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.942 -7.193 3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.846 -10.872 5.566 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.822 -8.806 4.474 1.00 0.00 H new ATOM 524 N LEU A 33 2.328 -8.618 1.134 1.00 0.00 N ATOM 525 CA LEU A 33 3.176 -8.715 -0.066 1.00 0.00 C ATOM 526 C LEU A 33 4.667 -8.606 0.309 1.00 0.00 C ATOM 527 O LEU A 33 5.012 -7.830 1.200 1.00 0.00 O ATOM 528 CB LEU A 33 2.789 -7.583 -1.045 1.00 0.00 C ATOM 529 CG LEU A 33 1.367 -7.703 -1.655 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.859 -6.338 -2.150 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.323 -8.765 -2.787 1.00 0.00 C ATOM 0 H LEU A 33 1.797 -7.749 1.193 1.00 0.00 H new ATOM 0 HA LEU A 33 3.019 -9.684 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.865 -6.629 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.516 -7.561 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 33 0.697 -8.040 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.139 -6.453 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.822 -5.639 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.534 -5.954 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.313 -8.823 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.016 -8.481 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.610 -9.737 -2.385 1.00 0.00 H new ATOM 543 N PRO A 34 5.578 -9.353 -0.387 1.00 0.00 N ATOM 544 CA PRO A 34 7.040 -9.256 -0.141 1.00 0.00 C ATOM 545 C PRO A 34 7.607 -7.905 -0.662 1.00 0.00 C ATOM 546 O PRO A 34 8.716 -7.503 -0.308 1.00 0.00 O ATOM 547 CB PRO A 34 7.600 -10.476 -0.918 1.00 0.00 C ATOM 548 CG PRO A 34 6.624 -10.691 -2.035 1.00 0.00 C ATOM 549 CD PRO A 34 5.263 -10.320 -1.480 1.00 0.00 C ATOM 0 HA PRO A 34 7.312 -9.274 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.602 -10.278 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.671 -11.356 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.875 -10.073 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.639 -11.728 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.629 -9.869 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.733 -11.194 -1.101 1.00 0.00 H new ATOM 557 N ASN A 35 6.797 -7.225 -1.501 1.00 0.00 N ATOM 558 CA ASN A 35 7.086 -5.889 -2.057 1.00 0.00 C ATOM 559 C ASN A 35 6.630 -4.773 -1.092 1.00 0.00 C ATOM 560 O ASN A 35 6.986 -3.599 -1.274 1.00 0.00 O ATOM 561 CB ASN A 35 6.334 -5.726 -3.409 1.00 0.00 C ATOM 562 CG ASN A 35 6.534 -6.902 -4.364 1.00 0.00 C ATOM 563 OD1 ASN A 35 5.732 -7.840 -4.401 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.621 -6.878 -5.099 1.00 0.00 N ATOM 0 H ASN A 35 5.903 -7.600 -1.817 1.00 0.00 H new ATOM 0 HA ASN A 35 8.163 -5.803 -2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.269 -5.606 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.672 -4.811 -3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.828 -7.653 -5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.259 -6.084 -5.040 1.00 0.00 H new ATOM 571 N ALA A 36 5.820 -5.159 -0.083 1.00 0.00 N ATOM 572 CA ALA A 36 5.112 -4.222 0.822 1.00 0.00 C ATOM 573 C ALA A 36 5.933 -3.868 2.079 1.00 0.00 C ATOM 574 O ALA A 36 6.403 -4.755 2.800 1.00 0.00 O ATOM 575 CB ALA A 36 3.747 -4.802 1.225 1.00 0.00 C ATOM 0 H ALA A 36 5.636 -6.139 0.130 1.00 0.00 H new ATOM 0 HA ALA A 36 4.967 -3.295 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.237 -4.104 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.142 -4.961 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.893 -5.752 1.739 1.00 0.00 H new ATOM 581 N THR A 37 6.068 -2.551 2.329 1.00 0.00 N ATOM 582 CA THR A 37 6.725 -1.977 3.517 1.00 0.00 C ATOM 583 C THR A 37 5.694 -1.780 4.651 1.00 0.00 C ATOM 584 O THR A 37 4.685 -1.100 4.442 1.00 0.00 O ATOM 585 CB THR A 37 7.367 -0.597 3.139 1.00 0.00 C ATOM 586 OG1 THR A 37 8.325 -0.787 2.086 1.00 0.00 O ATOM 587 CG2 THR A 37 8.040 0.106 4.339 1.00 0.00 C ATOM 0 H THR A 37 5.713 -1.838 1.692 1.00 0.00 H new ATOM 0 HA THR A 37 7.502 -2.659 3.863 1.00 0.00 H new ATOM 0 HB THR A 37 6.558 0.053 2.807 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.708 0.079 1.833 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.465 1.055 4.013 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.298 0.289 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.832 -0.529 4.735 1.00 0.00 H new ATOM 595 N LEU A 38 5.947 -2.364 5.846 1.00 0.00 N ATOM 596 CA LEU A 38 5.034 -2.246 7.000 1.00 0.00 C ATOM 597 C LEU A 38 4.988 -0.800 7.526 1.00 0.00 C ATOM 598 O LEU A 38 5.982 -0.276 8.055 1.00 0.00 O ATOM 599 CB LEU A 38 5.432 -3.203 8.153 1.00 0.00 C ATOM 600 CG LEU A 38 4.671 -3.001 9.517 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.129 -3.051 9.346 1.00 0.00 C ATOM 602 CD2 LEU A 38 5.144 -4.019 10.572 1.00 0.00 C ATOM 0 H LEU A 38 6.780 -2.923 6.033 1.00 0.00 H new ATOM 0 HA LEU A 38 4.044 -2.530 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.271 -4.228 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.501 -3.092 8.337 1.00 0.00 H new ATOM 0 HG LEU A 38 4.918 -2.001 9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.651 -2.907 10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.813 -2.262 8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.839 -4.020 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.602 -3.856 11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.953 -5.030 10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.212 -3.892 10.747 1.00 0.00 H new ATOM 614 N ILE A 39 3.823 -0.177 7.332 1.00 0.00 N ATOM 615 CA ILE A 39 3.457 1.133 7.885 1.00 0.00 C ATOM 616 C ILE A 39 1.966 1.061 8.298 1.00 0.00 C ATOM 617 O ILE A 39 1.180 0.313 7.707 1.00 0.00 O ATOM 618 CB ILE A 39 3.698 2.301 6.831 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.208 2.352 6.395 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.239 3.682 7.376 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.572 3.347 5.302 1.00 0.00 C ATOM 0 H ILE A 39 3.080 -0.585 6.765 1.00 0.00 H new ATOM 0 HA ILE A 39 4.084 1.362 8.747 1.00 0.00 H new ATOM 0 HB ILE A 39 3.087 2.078 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.809 2.579 7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.499 1.357 6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.422 4.449 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.174 3.647 7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.798 3.920 8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.640 3.284 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.011 3.114 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.326 4.356 5.632 1.00 0.00 H new ATOM 633 N SER A 40 1.577 1.790 9.338 1.00 0.00 N ATOM 634 CA SER A 40 0.159 1.921 9.711 1.00 0.00 C ATOM 635 C SER A 40 -0.391 3.247 9.157 1.00 0.00 C ATOM 636 O SER A 40 0.323 4.258 9.134 1.00 0.00 O ATOM 637 CB SER A 40 -0.016 1.828 11.237 1.00 0.00 C ATOM 638 OG SER A 40 0.298 0.529 11.718 1.00 0.00 O ATOM 0 H SER A 40 2.219 2.303 9.943 1.00 0.00 H new ATOM 0 HA SER A 40 -0.409 1.099 9.275 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.626 2.562 11.723 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.043 2.077 11.502 1.00 0.00 H new ATOM 0 HG SER A 40 0.179 0.503 12.690 1.00 0.00 H new ATOM 644 N VAL A 41 -1.656 3.209 8.691 1.00 0.00 N ATOM 645 CA VAL A 41 -2.393 4.379 8.154 1.00 0.00 C ATOM 646 C VAL A 41 -2.366 5.605 9.115 1.00 0.00 C ATOM 647 O VAL A 41 -2.389 6.746 8.659 1.00 0.00 O ATOM 648 CB VAL A 41 -3.887 3.974 7.843 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.638 3.558 9.137 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.645 5.090 7.068 1.00 0.00 C ATOM 0 H VAL A 41 -2.207 2.351 8.676 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.887 4.682 7.238 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.857 3.104 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.664 3.285 8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.135 2.705 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.643 4.392 9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.669 4.768 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.657 6.003 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.141 5.282 6.121 1.00 0.00 H new ATOM 660 N ASN A 42 -2.288 5.343 10.437 1.00 0.00 N ATOM 661 CA ASN A 42 -2.317 6.389 11.481 1.00 0.00 C ATOM 662 C ASN A 42 -0.932 7.038 11.699 1.00 0.00 C ATOM 663 O ASN A 42 -0.844 8.137 12.254 1.00 0.00 O ATOM 664 CB ASN A 42 -2.846 5.792 12.809 1.00 0.00 C ATOM 665 CG ASN A 42 -2.053 4.569 13.287 1.00 0.00 C ATOM 666 OD1 ASN A 42 -2.381 3.432 12.944 1.00 0.00 O ATOM 667 ND2 ASN A 42 -1.003 4.789 14.060 1.00 0.00 N ATOM 0 H ASN A 42 -2.203 4.398 10.811 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.989 7.176 11.139 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.815 6.560 13.582 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.891 5.510 12.681 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.439 4.005 14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.757 5.742 14.327 1.00 0.00 H new ATOM 674 N ASP A 43 0.140 6.335 11.284 1.00 0.00 N ATOM 675 CA ASP A 43 1.531 6.807 11.435 1.00 0.00 C ATOM 676 C ASP A 43 1.939 7.641 10.212 1.00 0.00 C ATOM 677 O ASP A 43 2.523 7.126 9.247 1.00 0.00 O ATOM 678 CB ASP A 43 2.513 5.619 11.668 1.00 0.00 C ATOM 679 CG ASP A 43 2.343 4.961 13.048 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.923 5.460 14.041 1.00 0.00 O ATOM 681 OD2 ASP A 43 1.619 3.956 13.155 1.00 0.00 O ATOM 0 H ASP A 43 0.066 5.423 10.834 1.00 0.00 H new ATOM 0 HA ASP A 43 1.586 7.442 12.319 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.358 4.869 10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.538 5.976 11.566 1.00 0.00 H new ATOM 686 N GLN A 44 1.578 8.939 10.253 1.00 0.00 N ATOM 687 CA GLN A 44 1.985 9.921 9.236 1.00 0.00 C ATOM 688 C GLN A 44 3.512 10.100 9.222 1.00 0.00 C ATOM 689 O GLN A 44 4.097 10.276 8.157 1.00 0.00 O ATOM 690 CB GLN A 44 1.271 11.301 9.447 1.00 0.00 C ATOM 691 CG GLN A 44 -0.171 11.398 8.891 1.00 0.00 C ATOM 692 CD GLN A 44 -1.164 10.428 9.534 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.815 10.747 10.529 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.295 9.242 8.967 1.00 0.00 N ATOM 0 H GLN A 44 0.997 9.333 10.993 1.00 0.00 H new ATOM 0 HA GLN A 44 1.675 9.531 8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.245 11.517 10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.875 12.078 8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.534 12.416 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.146 11.214 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.742 9.007 8.143 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.950 8.562 9.353 1.00 0.00 H new ATOM 703 N GLU A 45 4.148 10.032 10.408 1.00 0.00 N ATOM 704 CA GLU A 45 5.605 10.234 10.535 1.00 0.00 C ATOM 705 C GLU A 45 6.403 9.074 9.914 1.00 0.00 C ATOM 706 O GLU A 45 7.467 9.306 9.367 1.00 0.00 O ATOM 707 CB GLU A 45 6.024 10.528 12.017 1.00 0.00 C ATOM 708 CG GLU A 45 5.418 9.614 13.105 1.00 0.00 C ATOM 709 CD GLU A 45 5.986 8.189 13.138 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.172 8.014 13.493 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.260 7.240 12.791 1.00 0.00 O ATOM 0 H GLU A 45 3.676 9.839 11.291 1.00 0.00 H new ATOM 0 HA GLU A 45 5.859 11.123 9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.110 10.461 12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.753 11.558 12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.578 10.077 14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.340 9.557 12.953 1.00 0.00 H new ATOM 718 N LYS A 46 5.869 7.839 9.988 1.00 0.00 N ATOM 719 CA LYS A 46 6.519 6.640 9.401 1.00 0.00 C ATOM 720 C LYS A 46 6.279 6.580 7.887 1.00 0.00 C ATOM 721 O LYS A 46 7.165 6.181 7.118 1.00 0.00 O ATOM 722 CB LYS A 46 6.005 5.341 10.091 1.00 0.00 C ATOM 723 CG LYS A 46 6.605 3.981 9.602 1.00 0.00 C ATOM 724 CD LYS A 46 8.119 3.763 9.927 1.00 0.00 C ATOM 725 CE LYS A 46 9.079 4.376 8.885 1.00 0.00 C ATOM 726 NZ LYS A 46 10.512 4.179 9.235 1.00 0.00 N ATOM 0 H LYS A 46 4.982 7.640 10.451 1.00 0.00 H new ATOM 0 HA LYS A 46 7.593 6.716 9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.197 5.429 11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.923 5.297 9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.033 3.168 10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.468 3.909 8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.336 4.194 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.314 2.693 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.883 3.929 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.875 5.443 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.078 4.952 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.620 4.177 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.841 3.270 8.851 1.00 0.00 H new ATOM 740 N LEU A 47 5.081 6.997 7.460 1.00 0.00 N ATOM 741 CA LEU A 47 4.700 6.972 6.039 1.00 0.00 C ATOM 742 C LEU A 47 5.505 8.017 5.249 1.00 0.00 C ATOM 743 O LEU A 47 6.132 7.704 4.229 1.00 0.00 O ATOM 744 CB LEU A 47 3.184 7.206 5.887 1.00 0.00 C ATOM 745 CG LEU A 47 2.603 7.036 4.448 1.00 0.00 C ATOM 746 CD1 LEU A 47 2.902 5.633 3.861 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.092 7.322 4.445 1.00 0.00 C ATOM 0 H LEU A 47 4.355 7.357 8.079 1.00 0.00 H new ATOM 0 HA LEU A 47 4.933 5.989 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.662 6.517 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.956 8.215 6.232 1.00 0.00 H new ATOM 0 HG LEU A 47 3.100 7.762 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.479 5.560 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.980 5.481 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.457 4.869 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.701 7.200 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.589 6.626 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.914 8.343 4.782 1.00 0.00 H new ATOM 759 N ALA A 48 5.503 9.248 5.777 1.00 0.00 N ATOM 760 CA ALA A 48 6.239 10.382 5.209 1.00 0.00 C ATOM 761 C ALA A 48 7.758 10.181 5.342 1.00 0.00 C ATOM 762 O ALA A 48 8.511 10.707 4.531 1.00 0.00 O ATOM 763 CB ALA A 48 5.793 11.683 5.885 1.00 0.00 C ATOM 0 H ALA A 48 4.983 9.486 6.622 1.00 0.00 H new ATOM 0 HA ALA A 48 6.013 10.446 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.343 12.522 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.725 11.830 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.993 11.624 6.955 1.00 0.00 H new ATOM 769 N ASP A 49 8.189 9.417 6.376 1.00 0.00 N ATOM 770 CA ASP A 49 9.609 9.026 6.553 1.00 0.00 C ATOM 771 C ASP A 49 10.074 8.184 5.365 1.00 0.00 C ATOM 772 O ASP A 49 11.038 8.553 4.694 1.00 0.00 O ATOM 773 CB ASP A 49 9.811 8.223 7.867 1.00 0.00 C ATOM 774 CG ASP A 49 11.265 7.787 8.116 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.072 8.624 8.577 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.616 6.610 7.844 1.00 0.00 O ATOM 0 H ASP A 49 7.570 9.058 7.103 1.00 0.00 H new ATOM 0 HA ASP A 49 10.202 9.939 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.476 8.831 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.176 7.337 7.841 1.00 0.00 H new ATOM 781 N PHE A 50 9.349 7.068 5.110 1.00 0.00 N ATOM 782 CA PHE A 50 9.653 6.131 4.003 1.00 0.00 C ATOM 783 C PHE A 50 9.741 6.871 2.668 1.00 0.00 C ATOM 784 O PHE A 50 10.652 6.625 1.856 1.00 0.00 O ATOM 785 CB PHE A 50 8.579 5.011 3.905 1.00 0.00 C ATOM 786 CG PHE A 50 8.839 4.014 2.763 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.879 3.085 2.863 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.077 4.024 1.585 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.146 2.203 1.833 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.349 3.134 0.561 1.00 0.00 C ATOM 791 CZ PHE A 50 9.381 2.227 0.686 1.00 0.00 C ATOM 0 H PHE A 50 8.539 6.793 5.665 1.00 0.00 H new ATOM 0 HA PHE A 50 10.619 5.675 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.543 4.469 4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.600 5.468 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.483 3.056 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.270 4.733 1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.955 1.494 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.752 3.149 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.590 1.535 -0.116 1.00 0.00 H new ATOM 801 N LEU A 51 8.771 7.774 2.455 1.00 0.00 N ATOM 802 CA LEU A 51 8.714 8.607 1.261 1.00 0.00 C ATOM 803 C LEU A 51 9.948 9.512 1.177 1.00 0.00 C ATOM 804 O LEU A 51 10.639 9.469 0.188 1.00 0.00 O ATOM 805 CB LEU A 51 7.399 9.420 1.203 1.00 0.00 C ATOM 806 CG LEU A 51 6.090 8.567 1.097 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.848 9.461 0.954 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.161 7.538 -0.057 1.00 0.00 C ATOM 0 H LEU A 51 8.008 7.941 3.111 1.00 0.00 H new ATOM 0 HA LEU A 51 8.721 7.954 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.336 10.043 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.445 10.093 0.347 1.00 0.00 H new ATOM 0 HG LEU A 51 6.001 8.009 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.957 8.837 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.766 10.112 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.939 10.068 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.233 6.968 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.304 8.061 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.997 6.859 0.112 1.00 0.00 H new ATOM 820 N SER A 52 10.263 10.221 2.268 1.00 0.00 N ATOM 821 CA SER A 52 11.355 11.219 2.312 1.00 0.00 C ATOM 822 C SER A 52 12.769 10.567 2.199 1.00 0.00 C ATOM 823 O SER A 52 13.727 11.257 1.825 1.00 0.00 O ATOM 824 CB SER A 52 11.232 12.049 3.614 1.00 0.00 C ATOM 825 OG SER A 52 12.184 13.100 3.673 1.00 0.00 O ATOM 0 H SER A 52 9.768 10.122 3.154 1.00 0.00 H new ATOM 0 HA SER A 52 11.251 11.872 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.228 12.467 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.364 11.393 4.475 1.00 0.00 H new ATOM 0 HG SER A 52 12.070 13.598 4.509 1.00 0.00 H new ATOM 831 N GLN A 53 12.891 9.242 2.513 1.00 0.00 N ATOM 832 CA GLN A 53 14.185 8.495 2.411 1.00 0.00 C ATOM 833 C GLN A 53 14.726 8.508 0.962 1.00 0.00 C ATOM 834 O GLN A 53 15.931 8.631 0.725 1.00 0.00 O ATOM 835 CB GLN A 53 14.035 7.021 2.907 1.00 0.00 C ATOM 836 CG GLN A 53 13.676 6.868 4.404 1.00 0.00 C ATOM 837 CD GLN A 53 14.669 7.537 5.372 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.862 7.630 5.106 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.176 8.035 6.491 1.00 0.00 N ATOM 0 H GLN A 53 12.111 8.670 2.838 1.00 0.00 H new ATOM 0 HA GLN A 53 14.900 9.006 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.265 6.530 2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.969 6.493 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.685 7.290 4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.615 5.806 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.180 7.947 6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.791 8.508 7.153 1.00 0.00 H new ATOM 848 N HIS A 54 13.791 8.351 0.019 1.00 0.00 N ATOM 849 CA HIS A 54 13.998 8.543 -1.424 1.00 0.00 C ATOM 850 C HIS A 54 12.745 9.247 -1.911 1.00 0.00 C ATOM 851 O HIS A 54 11.768 8.601 -2.228 1.00 0.00 O ATOM 852 CB HIS A 54 14.200 7.193 -2.183 1.00 0.00 C ATOM 853 CG HIS A 54 15.519 6.513 -1.909 1.00 0.00 C ATOM 854 ND1 HIS A 54 15.626 5.200 -1.494 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.793 6.967 -2.018 1.00 0.00 C ATOM 856 CE1 HIS A 54 16.896 4.884 -1.357 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.621 5.936 -1.668 1.00 0.00 N ATOM 0 H HIS A 54 12.835 8.077 0.245 1.00 0.00 H new ATOM 0 HA HIS A 54 14.905 9.118 -1.613 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.392 6.514 -1.912 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.116 7.377 -3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.097 7.957 -2.324 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.278 3.924 -1.043 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.640 5.977 -1.651 1.00 0.00 H new ATOM 866 N LYS A 55 12.726 10.576 -1.852 1.00 0.00 N ATOM 867 CA LYS A 55 11.486 11.343 -2.018 1.00 0.00 C ATOM 868 C LYS A 55 10.894 11.243 -3.438 1.00 0.00 C ATOM 869 O LYS A 55 9.683 11.437 -3.628 1.00 0.00 O ATOM 870 CB LYS A 55 11.728 12.812 -1.601 1.00 0.00 C ATOM 871 CG LYS A 55 10.467 13.512 -1.092 1.00 0.00 C ATOM 872 CD LYS A 55 10.646 15.027 -0.824 1.00 0.00 C ATOM 873 CE LYS A 55 10.644 15.876 -2.108 1.00 0.00 C ATOM 874 NZ LYS A 55 11.781 15.590 -3.028 1.00 0.00 N ATOM 0 H LYS A 55 13.555 11.149 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 55 10.735 10.902 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.490 12.841 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.123 13.364 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.669 13.375 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.143 13.027 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.846 15.370 -0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.584 15.187 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.708 15.707 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.669 16.931 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.035 16.456 -3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.600 15.263 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.503 14.851 -3.705 1.00 0.00 H new ATOM 888 N ASP A 56 11.748 10.922 -4.417 1.00 0.00 N ATOM 889 CA ASP A 56 11.357 10.821 -5.828 1.00 0.00 C ATOM 890 C ASP A 56 11.537 9.373 -6.333 1.00 0.00 C ATOM 891 O ASP A 56 12.453 9.082 -7.111 1.00 0.00 O ATOM 892 CB ASP A 56 12.168 11.849 -6.681 1.00 0.00 C ATOM 893 CG ASP A 56 11.830 13.320 -6.340 1.00 0.00 C ATOM 894 OD1 ASP A 56 12.316 13.831 -5.300 1.00 0.00 O ATOM 895 OD2 ASP A 56 11.071 13.965 -7.104 1.00 0.00 O ATOM 0 H ASP A 56 12.735 10.724 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 56 10.301 11.068 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.234 11.682 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.969 11.672 -7.738 1.00 0.00 H new ATOM 900 N LYS A 57 10.681 8.450 -5.832 1.00 0.00 N ATOM 901 CA LYS A 57 10.535 7.084 -6.403 1.00 0.00 C ATOM 902 C LYS A 57 9.038 6.686 -6.427 1.00 0.00 C ATOM 903 O LYS A 57 8.218 7.284 -5.702 1.00 0.00 O ATOM 904 CB LYS A 57 11.414 6.005 -5.673 1.00 0.00 C ATOM 905 CG LYS A 57 10.807 5.287 -4.435 1.00 0.00 C ATOM 906 CD LYS A 57 10.484 6.245 -3.286 1.00 0.00 C ATOM 907 CE LYS A 57 10.418 5.575 -1.907 1.00 0.00 C ATOM 908 NZ LYS A 57 9.991 6.532 -0.859 1.00 0.00 N ATOM 0 H LYS A 57 10.077 8.626 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 57 10.914 7.115 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.682 5.242 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.341 6.485 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.897 4.767 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.506 4.529 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.239 7.031 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.528 6.728 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.722 4.737 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.396 5.167 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.416 6.263 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.302 7.490 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.955 6.515 -0.775 1.00 0.00 H new ATOM 922 N LYS A 58 8.692 5.683 -7.249 1.00 0.00 N ATOM 923 CA LYS A 58 7.298 5.250 -7.461 1.00 0.00 C ATOM 924 C LYS A 58 6.843 4.286 -6.340 1.00 0.00 C ATOM 925 O LYS A 58 7.343 3.163 -6.239 1.00 0.00 O ATOM 926 CB LYS A 58 7.163 4.594 -8.856 1.00 0.00 C ATOM 927 CG LYS A 58 5.710 4.478 -9.342 1.00 0.00 C ATOM 928 CD LYS A 58 5.599 4.251 -10.866 1.00 0.00 C ATOM 929 CE LYS A 58 6.319 2.979 -11.364 1.00 0.00 C ATOM 930 NZ LYS A 58 6.041 2.713 -12.803 1.00 0.00 N ATOM 0 H LYS A 58 9.372 5.147 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 58 6.645 6.122 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.734 5.176 -9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.608 3.599 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.223 3.653 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.170 5.387 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.545 4.190 -11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.013 5.117 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.393 3.088 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.000 2.124 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.494 1.833 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.495 3.503 -13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.939 2.617 -13.318 1.00 0.00 H new ATOM 944 N VAL A 59 5.897 4.750 -5.495 1.00 0.00 N ATOM 945 CA VAL A 59 5.397 3.989 -4.320 1.00 0.00 C ATOM 946 C VAL A 59 3.909 3.644 -4.490 1.00 0.00 C ATOM 947 O VAL A 59 3.165 4.424 -5.084 1.00 0.00 O ATOM 948 CB VAL A 59 5.608 4.812 -2.992 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.192 4.023 -1.733 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.064 5.285 -2.877 1.00 0.00 C ATOM 0 H VAL A 59 5.456 5.663 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 59 5.967 3.062 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 59 4.954 5.682 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.358 4.637 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.136 3.761 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.788 3.113 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.191 5.851 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.728 4.420 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.309 5.920 -3.729 1.00 0.00 H new ATOM 960 N LEU A 60 3.484 2.480 -3.950 1.00 0.00 N ATOM 961 CA LEU A 60 2.091 1.998 -4.055 1.00 0.00 C ATOM 962 C LEU A 60 1.552 1.528 -2.683 1.00 0.00 C ATOM 963 O LEU A 60 1.899 0.447 -2.220 1.00 0.00 O ATOM 964 CB LEU A 60 2.028 0.827 -5.061 1.00 0.00 C ATOM 965 CG LEU A 60 0.615 0.219 -5.306 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.280 1.187 -6.097 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.711 -1.146 -6.001 1.00 0.00 C ATOM 0 H LEU A 60 4.096 1.851 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 60 1.469 2.824 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.425 1.171 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.688 0.034 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 60 0.149 0.062 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.259 0.733 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.395 2.116 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.178 1.399 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.291 -1.545 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.211 -1.030 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.281 -1.833 -5.376 1.00 0.00 H new ATOM 979 N LEU A 61 0.684 2.326 -2.053 1.00 0.00 N ATOM 980 CA LEU A 61 0.082 2.004 -0.736 1.00 0.00 C ATOM 981 C LEU A 61 -1.098 1.021 -0.908 1.00 0.00 C ATOM 982 O LEU A 61 -2.182 1.437 -1.281 1.00 0.00 O ATOM 983 CB LEU A 61 -0.400 3.315 -0.028 1.00 0.00 C ATOM 984 CG LEU A 61 0.691 4.234 0.625 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.774 4.677 -0.379 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.030 5.464 1.290 1.00 0.00 C ATOM 0 H LEU A 61 0.372 3.219 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 61 0.840 1.528 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.946 3.910 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.111 3.035 0.749 1.00 0.00 H new ATOM 0 HG LEU A 61 1.194 3.640 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.502 5.311 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.276 3.798 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.310 5.236 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.799 6.092 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.513 6.036 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.663 5.131 2.063 1.00 0.00 H new ATOM 998 N HIS A 62 -0.887 -0.280 -0.654 1.00 0.00 N ATOM 999 CA HIS A 62 -1.968 -1.292 -0.768 1.00 0.00 C ATOM 1000 C HIS A 62 -2.717 -1.424 0.577 1.00 0.00 C ATOM 1001 O HIS A 62 -2.102 -1.347 1.654 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.411 -2.675 -1.237 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.896 -3.578 -0.132 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.702 -4.480 0.528 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.325 -3.707 0.429 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.999 -5.118 1.437 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.236 -4.670 1.401 1.00 0.00 N ATOM 0 H HIS A 62 0.015 -0.662 -0.369 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.672 -0.953 -1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.199 -3.201 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.602 -2.500 -1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.212 -3.152 0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.373 -5.882 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.001 -4.986 1.997 1.00 0.00 H new ATOM 1016 N CYS A 63 -4.035 -1.651 0.501 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.920 -1.803 1.689 1.00 0.00 C ATOM 1018 C CYS A 63 -5.651 -3.157 1.681 1.00 0.00 C ATOM 1019 O CYS A 63 -5.689 -3.838 0.655 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.926 -0.642 1.749 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.198 -0.781 3.029 1.00 0.00 S ATOM 0 H CYS A 63 -4.531 -1.737 -0.386 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.295 -1.776 2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.375 0.285 1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.418 -0.559 0.780 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.669 -1.256 4.117 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.132 -3.572 2.878 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.000 -4.766 3.068 1.00 0.00 C ATOM 1029 C ARG A 64 -8.261 -4.657 2.171 1.00 0.00 C ATOM 1030 O ARG A 64 -8.704 -5.646 1.593 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.377 -4.889 4.589 1.00 0.00 C ATOM 1032 CG ARG A 64 -7.875 -6.273 5.100 1.00 0.00 C ATOM 1033 CD ARG A 64 -9.283 -6.672 4.634 1.00 0.00 C ATOM 1034 NE ARG A 64 -10.308 -5.679 5.011 1.00 0.00 N ATOM 1035 CZ ARG A 64 -11.429 -5.423 4.315 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -11.661 -6.017 3.147 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -12.305 -4.546 4.770 1.00 0.00 N ATOM 0 H ARG A 64 -5.928 -3.084 3.750 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.466 -5.669 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.502 -4.610 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.152 -4.153 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.171 -7.038 4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.858 -6.268 6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.282 -6.795 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.544 -7.639 5.064 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.154 -5.145 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.983 -6.678 2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.517 -5.812 2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.131 -4.062 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.155 -4.353 4.241 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.829 -3.440 2.089 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.978 -3.128 1.215 1.00 0.00 C ATOM 1053 C ALA A 65 -9.557 -2.111 0.137 1.00 0.00 C ATOM 1054 O ALA A 65 -9.454 -2.450 -1.044 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.160 -2.592 2.045 1.00 0.00 C ATOM 0 H ALA A 65 -8.503 -2.639 2.630 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.304 -4.043 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.997 -2.368 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.464 -3.344 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.856 -1.684 2.566 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.277 -0.867 0.568 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.915 0.212 -0.356 1.00 0.00 C ATOM 1063 C GLY A 66 -8.946 1.594 0.284 1.00 0.00 C ATOM 1064 O GLY A 66 -8.282 2.517 -0.207 1.00 0.00 O ATOM 0 H GLY A 66 -9.296 -0.589 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.916 0.024 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.599 0.198 -1.205 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.720 1.748 1.380 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.875 3.050 2.061 1.00 0.00 C ATOM 1070 C ARG A 67 -8.575 3.488 2.765 1.00 0.00 C ATOM 1071 O ARG A 67 -8.232 4.658 2.706 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.066 3.039 3.065 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.230 4.351 3.884 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.451 5.598 3.000 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.181 6.842 3.734 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.310 8.080 3.238 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.873 8.289 2.057 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.896 9.112 3.950 1.00 0.00 N ATOM 0 H ARG A 67 -10.246 0.988 1.811 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.097 3.782 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.988 2.852 2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.934 2.207 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.074 4.243 4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.342 4.502 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.802 5.544 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.478 5.607 2.635 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.870 6.756 4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.217 7.500 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.963 9.239 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.482 8.963 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.990 10.058 3.580 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.861 2.552 3.426 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.588 2.890 4.129 1.00 0.00 C ATOM 1094 C ARG A 68 -5.509 3.324 3.124 1.00 0.00 C ATOM 1095 O ARG A 68 -4.650 4.153 3.434 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.071 1.693 4.965 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.057 1.168 6.021 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.497 2.254 7.020 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.356 1.727 8.098 1.00 0.00 N ATOM 1100 CZ ARG A 68 -7.923 1.132 9.226 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -6.628 0.905 9.430 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -8.803 0.766 10.150 1.00 0.00 N ATOM 0 H ARG A 68 -8.131 1.571 3.492 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.800 3.718 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.818 0.877 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.149 1.989 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.937 0.764 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.594 0.345 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.613 2.716 7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.033 3.037 6.485 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.365 1.822 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.944 1.183 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.319 0.453 10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.798 0.936 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.484 0.315 11.007 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.591 2.731 1.923 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.722 3.055 0.783 1.00 0.00 C ATOM 1118 C ALA A 69 -4.907 4.523 0.386 1.00 0.00 C ATOM 1119 O ALA A 69 -3.943 5.298 0.331 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.062 2.116 -0.392 1.00 0.00 C ATOM 0 H ALA A 69 -6.273 2.002 1.714 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.677 2.911 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.421 2.350 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.900 1.081 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.106 2.252 -0.676 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.179 4.874 0.140 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.609 6.229 -0.221 1.00 0.00 C ATOM 1128 C LEU A 70 -6.223 7.239 0.873 1.00 0.00 C ATOM 1129 O LEU A 70 -5.425 8.133 0.630 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.150 6.225 -0.446 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.839 7.609 -0.675 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.340 8.308 -1.957 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.378 7.470 -0.685 1.00 0.00 C ATOM 0 H LEU A 70 -6.951 4.209 0.188 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.106 6.534 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.364 5.593 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.617 5.753 0.419 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.557 8.244 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.849 9.265 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.265 8.475 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.553 7.679 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.831 8.448 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.677 6.795 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.713 7.068 0.271 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.753 7.002 2.084 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.722 7.934 3.241 1.00 0.00 C ATOM 1147 C ASP A 71 -5.286 8.378 3.587 1.00 0.00 C ATOM 1148 O ASP A 71 -5.002 9.585 3.740 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.387 7.227 4.458 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.561 8.126 5.697 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.535 8.913 5.739 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.738 8.040 6.641 1.00 0.00 O ATOM 0 H ASP A 71 -7.233 6.128 2.300 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.272 8.838 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.365 6.852 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.785 6.361 4.734 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.396 7.382 3.695 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.974 7.592 3.987 1.00 0.00 C ATOM 1159 C ALA A 72 -2.285 8.389 2.860 1.00 0.00 C ATOM 1160 O ALA A 72 -1.577 9.386 3.117 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.306 6.225 4.198 1.00 0.00 C ATOM 0 H ALA A 72 -4.646 6.400 3.581 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.873 8.185 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.248 6.367 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.783 5.712 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.413 5.624 3.295 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.539 7.971 1.603 1.00 0.00 N ATOM 1168 CA ALA A 73 -1.963 8.622 0.419 1.00 0.00 C ATOM 1169 C ALA A 73 -2.484 10.062 0.256 1.00 0.00 C ATOM 1170 O ALA A 73 -1.745 10.909 -0.246 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.230 7.787 -0.846 1.00 0.00 C ATOM 0 H ALA A 73 -3.144 7.179 1.386 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.884 8.682 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.795 8.288 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.780 6.801 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.305 7.680 -0.991 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.738 10.341 0.712 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.331 11.698 0.636 1.00 0.00 C ATOM 1179 C LYS A 74 -3.487 12.647 1.464 1.00 0.00 C ATOM 1180 O LYS A 74 -3.001 13.640 0.937 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.817 11.766 1.109 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.797 10.874 0.323 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.271 11.331 0.417 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.567 12.549 -0.475 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.980 12.992 -0.366 1.00 0.00 N ATOM 0 H LYS A 74 -4.351 9.644 1.134 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.336 11.985 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.860 11.486 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.156 12.800 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.498 10.858 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.719 9.852 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.923 10.506 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.507 11.577 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.908 13.371 -0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.345 12.300 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.135 13.815 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.610 12.217 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.186 13.255 0.619 1.00 0.00 H new ATOM 1199 N SER A 75 -3.260 12.257 2.737 1.00 0.00 N ATOM 1200 CA SER A 75 -2.465 13.029 3.714 1.00 0.00 C ATOM 1201 C SER A 75 -1.100 13.449 3.119 1.00 0.00 C ATOM 1202 O SER A 75 -0.694 14.605 3.221 1.00 0.00 O ATOM 1203 CB SER A 75 -2.252 12.176 4.989 1.00 0.00 C ATOM 1204 OG SER A 75 -3.470 11.589 5.425 1.00 0.00 O ATOM 0 H SER A 75 -3.629 11.386 3.119 1.00 0.00 H new ATOM 0 HA SER A 75 -3.011 13.938 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.520 11.394 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.842 12.800 5.783 1.00 0.00 H new ATOM 0 HG SER A 75 -3.306 11.055 6.230 1.00 0.00 H new ATOM 1210 N MET A 76 -0.441 12.489 2.442 1.00 0.00 N ATOM 1211 CA MET A 76 0.895 12.692 1.836 1.00 0.00 C ATOM 1212 C MET A 76 0.850 13.544 0.556 1.00 0.00 C ATOM 1213 O MET A 76 1.782 14.313 0.299 1.00 0.00 O ATOM 1214 CB MET A 76 1.571 11.321 1.602 1.00 0.00 C ATOM 1215 CG MET A 76 2.132 10.720 2.897 1.00 0.00 C ATOM 1216 SD MET A 76 0.930 10.727 4.242 1.00 0.00 S ATOM 1217 CE MET A 76 1.992 10.789 5.676 1.00 0.00 C ATOM 0 H MET A 76 -0.816 11.552 2.298 1.00 0.00 H new ATOM 0 HA MET A 76 1.499 13.266 2.538 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.848 10.631 1.168 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.378 11.435 0.878 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.455 9.696 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.015 11.282 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.573 10.167 6.467 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.983 10.420 5.411 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.070 11.818 6.027 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.228 13.418 -0.231 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.479 14.308 -1.390 1.00 0.00 C ATOM 1229 C HIS A 77 -0.691 15.775 -0.924 1.00 0.00 C ATOM 1230 O HIS A 77 -0.383 16.716 -1.663 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.684 13.796 -2.236 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.340 12.735 -3.266 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.203 13.013 -4.608 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.136 11.399 -3.158 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.944 11.907 -5.270 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.894 10.914 -4.414 1.00 0.00 N ATOM 0 H HIS A 77 -0.947 12.708 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 77 0.402 14.290 -2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.438 13.394 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.136 14.645 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.160 10.822 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.797 11.829 -6.337 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.705 9.939 -4.647 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.194 15.941 0.315 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.377 17.262 0.951 1.00 0.00 C ATOM 1247 C GLU A 78 -0.042 17.786 1.528 1.00 0.00 C ATOM 1248 O GLU A 78 0.156 18.997 1.630 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.455 17.163 2.062 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.774 16.507 1.609 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.557 17.317 0.566 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.369 18.181 0.957 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.373 17.086 -0.649 1.00 0.00 O ATOM 0 H GLU A 78 -1.486 15.162 0.905 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.713 17.972 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.048 16.594 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.670 18.165 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.554 15.522 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.408 16.352 2.482 1.00 0.00 H new ATOM 1260 N LEU A 79 0.866 16.855 1.913 1.00 0.00 N ATOM 1261 CA LEU A 79 2.231 17.206 2.390 1.00 0.00 C ATOM 1262 C LEU A 79 3.127 17.659 1.220 1.00 0.00 C ATOM 1263 O LEU A 79 4.140 18.333 1.433 1.00 0.00 O ATOM 1264 CB LEU A 79 2.913 16.016 3.130 1.00 0.00 C ATOM 1265 CG LEU A 79 2.168 15.440 4.374 1.00 0.00 C ATOM 1266 CD1 LEU A 79 3.007 14.358 5.091 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.740 16.551 5.355 1.00 0.00 C ATOM 0 H LEU A 79 0.679 15.852 1.903 1.00 0.00 H new ATOM 0 HA LEU A 79 2.113 18.029 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.054 15.207 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.905 16.337 3.447 1.00 0.00 H new ATOM 0 HG LEU A 79 1.260 14.964 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.455 13.981 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.209 13.538 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.950 14.791 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.225 16.106 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.622 17.087 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.070 17.246 4.848 1.00 0.00 H new ATOM 1279 N GLY A 80 2.756 17.253 -0.009 1.00 0.00 N ATOM 1280 CA GLY A 80 3.490 17.622 -1.224 1.00 0.00 C ATOM 1281 C GLY A 80 4.054 16.418 -1.969 1.00 0.00 C ATOM 1282 O GLY A 80 4.597 16.577 -3.061 1.00 0.00 O ATOM 0 H GLY A 80 1.942 16.663 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.826 18.175 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.307 18.293 -0.958 1.00 0.00 H new ATOM 1286 N TYR A 81 3.958 15.213 -1.364 1.00 0.00 N ATOM 1287 CA TYR A 81 4.358 13.944 -2.020 1.00 0.00 C ATOM 1288 C TYR A 81 3.298 13.540 -3.068 1.00 0.00 C ATOM 1289 O TYR A 81 2.215 14.134 -3.125 1.00 0.00 O ATOM 1290 CB TYR A 81 4.499 12.799 -0.980 1.00 0.00 C ATOM 1291 CG TYR A 81 5.429 13.080 0.209 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.816 13.092 0.059 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.916 13.310 1.490 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.650 13.321 1.141 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.750 13.535 2.567 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.113 13.539 2.389 1.00 0.00 C ATOM 1297 OH TYR A 81 7.944 13.764 3.464 1.00 0.00 O ATOM 0 H TYR A 81 3.604 15.091 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 81 5.322 14.104 -2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.508 12.563 -0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.860 11.909 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.246 12.920 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.846 13.312 1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.721 13.328 1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.332 13.708 3.548 1.00 0.00 H new ATOM 0 HH TYR A 81 7.424 14.132 4.208 1.00 0.00 H new ATOM 1307 N THR A 82 3.601 12.503 -3.872 1.00 0.00 N ATOM 1308 CA THR A 82 2.630 11.894 -4.805 1.00 0.00 C ATOM 1309 C THR A 82 2.800 10.350 -4.837 1.00 0.00 C ATOM 1310 O THR A 82 3.297 9.796 -5.827 1.00 0.00 O ATOM 1311 CB THR A 82 2.739 12.487 -6.266 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.113 12.500 -6.691 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.144 13.901 -6.389 1.00 0.00 C ATOM 0 H THR A 82 4.522 12.064 -3.894 1.00 0.00 H new ATOM 0 HA THR A 82 1.636 12.140 -4.432 1.00 0.00 H new ATOM 0 HB THR A 82 2.150 11.836 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.492 11.601 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.250 14.252 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.088 13.876 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.673 14.578 -5.718 1.00 0.00 H new ATOM 1321 N PRO A 83 2.449 9.622 -3.725 1.00 0.00 N ATOM 1322 CA PRO A 83 2.385 8.143 -3.747 1.00 0.00 C ATOM 1323 C PRO A 83 1.075 7.623 -4.395 1.00 0.00 C ATOM 1324 O PRO A 83 0.007 8.224 -4.226 1.00 0.00 O ATOM 1325 CB PRO A 83 2.459 7.772 -2.245 1.00 0.00 C ATOM 1326 CG PRO A 83 1.814 8.928 -1.539 1.00 0.00 C ATOM 1327 CD PRO A 83 2.159 10.156 -2.356 1.00 0.00 C ATOM 0 HA PRO A 83 3.179 7.696 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.934 6.839 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.491 7.635 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.734 8.793 -1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.186 9.020 -0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.333 10.867 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.021 10.679 -1.943 1.00 0.00 H new ATOM 1335 N TYR A 84 1.184 6.518 -5.147 1.00 0.00 N ATOM 1336 CA TYR A 84 0.022 5.763 -5.671 1.00 0.00 C ATOM 1337 C TYR A 84 -0.609 4.951 -4.531 1.00 0.00 C ATOM 1338 O TYR A 84 -0.069 4.909 -3.414 1.00 0.00 O ATOM 1339 CB TYR A 84 0.449 4.802 -6.817 1.00 0.00 C ATOM 1340 CG TYR A 84 0.993 5.489 -8.081 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.296 5.994 -8.126 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.207 5.627 -9.228 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.784 6.608 -9.263 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.698 6.238 -10.366 1.00 0.00 C ATOM 1345 CZ TYR A 84 1.985 6.726 -10.379 1.00 0.00 C ATOM 1346 OH TYR A 84 2.479 7.329 -11.518 1.00 0.00 O ATOM 0 H TYR A 84 2.083 6.116 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.701 6.474 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.212 4.124 -6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.410 4.191 -7.096 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.931 5.902 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.805 5.249 -9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.792 6.996 -9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.074 6.332 -11.242 1.00 0.00 H new ATOM 0 HH TYR A 84 1.788 7.330 -12.213 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.738 4.293 -4.821 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.397 3.421 -3.851 1.00 0.00 C ATOM 1358 C TYR A 85 -3.244 2.366 -4.572 1.00 0.00 C ATOM 1359 O TYR A 85 -3.760 2.607 -5.674 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.230 4.241 -2.835 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.449 4.976 -3.410 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.315 6.237 -3.973 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.730 4.410 -3.371 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.401 6.902 -4.473 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.820 5.083 -3.878 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.648 6.330 -4.425 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.728 7.014 -4.935 1.00 0.00 O ATOM 0 H TYR A 85 -2.212 4.351 -5.722 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.632 2.897 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.572 3.569 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.575 4.975 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.340 6.700 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.865 3.431 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.277 7.883 -4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.801 4.633 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.538 6.474 -4.826 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.367 1.199 -3.932 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.029 0.022 -4.486 1.00 0.00 C ATOM 1379 C LEU A 86 -5.298 -0.281 -3.675 1.00 0.00 C ATOM 1380 O LEU A 86 -5.236 -0.580 -2.458 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.028 -1.181 -4.490 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.495 -2.541 -5.136 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.338 -3.417 -4.180 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.235 -2.306 -6.461 1.00 0.00 C ATOM 0 H LEU A 86 -2.999 1.047 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.333 0.204 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.125 -0.860 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.747 -1.383 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.583 -3.102 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.626 -4.337 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.750 -3.660 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.234 -2.872 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.543 -3.264 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.115 -1.688 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.573 -1.799 -7.163 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.437 -0.198 -4.379 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.738 -0.647 -3.892 1.00 0.00 C ATOM 1398 C GLU A 87 -7.957 -2.098 -4.358 1.00 0.00 C ATOM 1399 O GLU A 87 -8.176 -2.356 -5.556 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.857 0.291 -4.414 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.726 1.757 -3.948 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.859 2.659 -4.462 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.985 2.570 -3.929 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.634 3.442 -5.406 1.00 0.00 O ATOM 0 H GLU A 87 -6.474 0.192 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.769 -0.613 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.856 0.267 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.822 -0.097 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.714 1.785 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.770 2.156 -4.288 1.00 0.00 H new ATOM 1411 N GLY A 88 -7.851 -3.028 -3.408 1.00 0.00 N ATOM 1412 CA GLY A 88 -7.982 -4.456 -3.676 1.00 0.00 C ATOM 1413 C GLY A 88 -7.834 -5.261 -2.400 1.00 0.00 C ATOM 1414 O GLY A 88 -7.085 -4.859 -1.502 1.00 0.00 O ATOM 0 H GLY A 88 -7.671 -2.809 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.953 -4.658 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.225 -4.766 -4.396 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.538 -6.399 -2.317 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.560 -7.242 -1.110 1.00 0.00 C ATOM 1420 C ASN A 89 -7.207 -7.937 -0.891 1.00 0.00 C ATOM 1421 O ASN A 89 -6.685 -8.577 -1.807 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.710 -8.278 -1.180 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.107 -7.650 -1.057 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -12.061 -8.105 -1.686 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.255 -6.630 -0.204 1.00 0.00 N ATOM 0 H ASN A 89 -9.107 -6.761 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.741 -6.592 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.645 -8.818 -2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.578 -9.010 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.175 -6.212 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.448 -6.270 0.306 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.656 -7.805 0.341 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.314 -8.320 0.688 1.00 0.00 C ATOM 1434 C VAL A 90 -5.267 -9.859 0.596 1.00 0.00 C ATOM 1435 O VAL A 90 -4.266 -10.433 0.179 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.825 -7.810 2.111 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.607 -8.457 3.270 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.301 -7.999 2.299 1.00 0.00 C ATOM 0 H VAL A 90 -7.129 -7.341 1.116 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.617 -7.918 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.035 -6.741 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.233 -8.074 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.666 -8.217 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.476 -9.539 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.008 -7.638 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.052 -9.057 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.767 -7.436 1.533 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.398 -10.502 0.918 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.540 -11.971 0.877 1.00 0.00 C ATOM 1450 C TYR A 91 -6.646 -12.491 -0.572 1.00 0.00 C ATOM 1451 O TYR A 91 -6.511 -13.689 -0.815 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.784 -12.403 1.701 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.738 -11.976 3.182 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.107 -12.768 4.141 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.315 -10.778 3.617 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.057 -12.388 5.468 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.265 -10.397 4.944 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.637 -11.204 5.864 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.589 -10.824 7.187 1.00 0.00 O ATOM 0 H TYR A 91 -7.246 -10.019 1.216 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.645 -12.411 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.677 -11.980 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.882 -13.487 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.648 -13.698 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.809 -10.138 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.564 -13.018 6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.718 -9.468 5.258 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.656 -10.788 7.483 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.881 -11.583 -1.530 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.106 -11.939 -2.948 1.00 0.00 C ATOM 1471 C ASP A 92 -5.863 -11.755 -3.824 1.00 0.00 C ATOM 1472 O ASP A 92 -5.859 -12.238 -4.954 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.303 -11.144 -3.533 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.658 -11.749 -3.150 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.006 -11.744 -1.955 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.370 -12.258 -4.039 1.00 0.00 O ATOM 0 H ASP A 92 -6.921 -10.580 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.340 -13.003 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.257 -10.114 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.217 -11.113 -4.619 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.815 -11.084 -3.319 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.569 -10.873 -4.098 1.00 0.00 C ATOM 1483 C PHE A 93 -2.980 -12.222 -4.551 1.00 0.00 C ATOM 1484 O PHE A 93 -2.633 -12.410 -5.722 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.504 -10.112 -3.267 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.918 -8.729 -2.763 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -3.915 -7.989 -3.392 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.289 -8.163 -1.663 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.271 -6.738 -2.938 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.641 -6.912 -1.214 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.630 -6.196 -1.847 1.00 0.00 C ATOM 0 H PHE A 93 -4.798 -10.679 -2.383 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.831 -10.273 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.234 -10.726 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.606 -10.003 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.419 -8.403 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.512 -8.713 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.052 -6.183 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.137 -6.488 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.902 -5.214 -1.490 1.00 0.00 H new ATOM 1501 N GLU A 94 -2.949 -13.158 -3.598 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.261 -14.443 -3.742 1.00 0.00 C ATOM 1503 C GLU A 94 -3.005 -15.386 -4.713 1.00 0.00 C ATOM 1504 O GLU A 94 -2.366 -16.081 -5.509 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.070 -15.048 -2.327 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.025 -16.191 -2.207 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.639 -17.604 -2.248 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.236 -18.030 -1.228 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -1.539 -18.292 -3.286 1.00 0.00 O ATOM 0 H GLU A 94 -3.407 -13.043 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.280 -14.297 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.781 -14.246 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.033 -15.426 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.302 -16.096 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.475 -16.071 -1.273 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.352 -15.381 -4.669 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.176 -16.196 -5.599 1.00 0.00 C ATOM 1518 C LYS A 95 -5.199 -15.582 -7.014 1.00 0.00 C ATOM 1519 O LYS A 95 -5.377 -16.308 -7.996 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.625 -16.411 -5.066 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.392 -15.124 -4.719 1.00 0.00 C ATOM 1522 CD LYS A 95 -8.865 -15.379 -4.309 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.745 -15.847 -5.487 1.00 0.00 C ATOM 1524 NZ LYS A 95 -11.160 -16.080 -5.080 1.00 0.00 N ATOM 0 H LYS A 95 -4.894 -14.827 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.703 -17.176 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.193 -16.963 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.578 -17.038 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.879 -14.612 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.372 -14.455 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.892 -16.131 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.284 -14.464 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.716 -15.099 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.333 -16.767 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.711 -16.393 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.193 -16.813 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.564 -15.197 -4.708 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.025 -14.243 -7.112 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.953 -13.527 -8.406 1.00 0.00 C ATOM 1540 C TYR A 96 -3.613 -13.810 -9.118 1.00 0.00 C ATOM 1541 O TYR A 96 -3.572 -13.877 -10.352 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.199 -11.995 -8.207 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.694 -11.589 -8.145 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.624 -12.313 -7.387 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -7.169 -10.476 -8.846 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.955 -11.941 -7.330 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.497 -10.107 -8.793 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.386 -10.840 -8.032 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.711 -10.461 -7.975 1.00 0.00 O ATOM 0 H TYR A 96 -4.931 -13.632 -6.301 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.746 -13.901 -9.053 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.710 -11.678 -7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.722 -11.454 -9.024 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.294 -13.181 -6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.482 -9.893 -9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.653 -12.513 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.841 -9.246 -9.346 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.847 -9.663 -8.527 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.524 -13.970 -8.336 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.212 -14.345 -8.896 1.00 0.00 C ATOM 1561 C GLY A 97 -0.035 -13.730 -8.154 1.00 0.00 C ATOM 1562 O GLY A 97 1.100 -14.198 -8.291 1.00 0.00 O ATOM 0 H GLY A 97 -2.529 -13.846 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.115 -15.431 -8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.172 -14.039 -9.941 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.305 -12.673 -7.379 1.00 0.00 N ATOM 1567 CA PHE A 98 0.722 -11.923 -6.639 1.00 0.00 C ATOM 1568 C PHE A 98 1.058 -12.654 -5.328 1.00 0.00 C ATOM 1569 O PHE A 98 0.251 -12.641 -4.396 1.00 0.00 O ATOM 1570 CB PHE A 98 0.216 -10.489 -6.344 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.383 -9.770 -7.558 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.437 -9.236 -8.553 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.765 -9.627 -7.694 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.105 -8.581 -9.642 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.302 -8.970 -8.780 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.475 -8.447 -9.755 1.00 0.00 C ATOM 0 H PHE A 98 -1.249 -12.310 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 98 1.626 -11.857 -7.244 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.536 -10.536 -5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.045 -9.896 -5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.509 -9.336 -8.471 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.421 -10.036 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.542 -8.174 -10.405 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.373 -8.864 -8.869 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.899 -7.934 -10.605 1.00 0.00 H new ATOM 1586 N ARG A 99 2.245 -13.303 -5.276 1.00 0.00 N ATOM 1587 CA ARG A 99 2.696 -14.084 -4.093 1.00 0.00 C ATOM 1588 C ARG A 99 2.710 -13.221 -2.816 1.00 0.00 C ATOM 1589 O ARG A 99 2.913 -11.995 -2.868 1.00 0.00 O ATOM 1590 CB ARG A 99 4.095 -14.760 -4.324 1.00 0.00 C ATOM 1591 CG ARG A 99 5.355 -13.851 -4.197 1.00 0.00 C ATOM 1592 CD ARG A 99 5.265 -12.579 -5.051 1.00 0.00 C ATOM 1593 NE ARG A 99 6.566 -11.924 -5.281 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.740 -10.796 -5.987 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.700 -10.150 -6.510 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.960 -10.315 -6.181 1.00 0.00 N ATOM 0 H ARG A 99 2.915 -13.302 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 99 1.968 -14.883 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.196 -15.579 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.096 -15.202 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.491 -13.572 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.237 -14.419 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.820 -12.830 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.594 -11.872 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 99 7.394 -12.360 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.756 -10.511 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.848 -9.294 -7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.768 -10.802 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.091 -9.458 -6.718 1.00 0.00 H new ATOM 1610 N MET A 100 2.478 -13.874 -1.681 1.00 0.00 N ATOM 1611 CA MET A 100 2.342 -13.212 -0.370 1.00 0.00 C ATOM 1612 C MET A 100 3.031 -14.040 0.719 1.00 0.00 C ATOM 1613 O MET A 100 2.978 -15.273 0.711 1.00 0.00 O ATOM 1614 CB MET A 100 0.848 -12.991 0.005 1.00 0.00 C ATOM 1615 CG MET A 100 0.047 -12.128 -0.980 1.00 0.00 C ATOM 1616 SD MET A 100 -1.612 -11.772 -0.391 1.00 0.00 S ATOM 1617 CE MET A 100 -1.248 -10.744 1.026 1.00 0.00 C ATOM 0 H MET A 100 2.377 -14.888 -1.636 1.00 0.00 H new ATOM 0 HA MET A 100 2.823 -12.237 -0.443 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.363 -13.964 0.088 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.802 -12.527 0.990 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.577 -11.191 -1.151 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.014 -12.640 -1.940 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.920 -9.886 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.385 -11.322 1.940 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.217 -10.396 0.968 1.00 0.00 H new ATOM 1627 N VAL A 101 3.662 -13.342 1.661 1.00 0.00 N ATOM 1628 CA VAL A 101 4.355 -13.943 2.801 1.00 0.00 C ATOM 1629 C VAL A 101 3.380 -14.045 3.994 1.00 0.00 C ATOM 1630 O VAL A 101 3.005 -13.018 4.593 1.00 0.00 O ATOM 1631 CB VAL A 101 5.621 -13.092 3.189 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.450 -13.778 4.294 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.493 -12.787 1.947 1.00 0.00 C ATOM 0 H VAL A 101 3.707 -12.323 1.654 1.00 0.00 H new ATOM 0 HA VAL A 101 4.695 -14.943 2.530 1.00 0.00 H new ATOM 0 HB VAL A 101 5.264 -12.143 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.316 -13.161 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.835 -13.904 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.786 -14.754 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.360 -12.198 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.827 -13.723 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.907 -12.225 1.220 1.00 0.00 H new ATOM 1643 N TYR A 102 2.946 -15.283 4.285 1.00 0.00 N ATOM 1644 CA TYR A 102 2.012 -15.599 5.388 1.00 0.00 C ATOM 1645 C TYR A 102 2.780 -15.992 6.658 1.00 0.00 C ATOM 1646 O TYR A 102 3.871 -16.568 6.564 1.00 0.00 O ATOM 1647 CB TYR A 102 1.078 -16.770 4.991 1.00 0.00 C ATOM 1648 CG TYR A 102 0.090 -16.463 3.855 1.00 0.00 C ATOM 1649 CD1 TYR A 102 0.496 -16.462 2.519 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.253 -16.195 4.120 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -0.400 -16.202 1.504 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.146 -15.936 3.108 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.717 -15.940 1.805 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.615 -15.685 0.801 1.00 0.00 O ATOM 0 H TYR A 102 3.236 -16.106 3.756 1.00 0.00 H new ATOM 0 HA TYR A 102 1.420 -14.705 5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.693 -17.620 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.512 -17.076 5.871 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.528 -16.668 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.599 -16.191 5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.069 -16.204 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.181 -15.730 3.338 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.552 -16.387 0.120 1.00 0.00 H new