USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 21 TYR OH : rot 180:sc= 0.287 USER MOD Set 1.2: A 39 SER OG : rot -152:sc= 0.302 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 40:sc= 0.711 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0954 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= -1.97 (180deg=-2.56) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.324 USER MOD Single : A 25 ASN :FLIP amide:sc= -5.65! C(o=-6.8!,f=-5.7!) USER MOD Single : A 27 GLN : amide:sc= -0.89 X(o=-0.89,f=-1.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -0.132 (180deg=-1.71!) USER MOD Single : A 54 MET CE :methyl 150:sc= -5.58! (180deg=-8.51!) USER MOD Single : A 55 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.04) USER MOD Single : A 58 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.038) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0647 K(o=-0.065,f=-1.7!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 39:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.220 -3.234 -15.228 1.00 0.00 N ATOM 2 CA GLY A 1 21.066 -3.660 -14.129 1.00 0.00 C ATOM 3 C GLY A 1 20.850 -5.114 -13.761 1.00 0.00 C ATOM 4 O GLY A 1 19.845 -5.461 -13.140 1.00 0.00 O ATOM 0 H1 GLY A 1 20.406 -2.233 -15.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.426 -3.811 -16.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.221 -3.352 -14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.111 -3.508 -14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.868 -3.035 -13.258 1.00 0.00 H new ATOM 8 N SER A 2 21.794 -5.967 -14.145 1.00 0.00 N ATOM 9 CA SER A 2 21.698 -7.394 -13.856 1.00 0.00 C ATOM 10 C SER A 2 21.278 -7.628 -12.409 1.00 0.00 C ATOM 11 O SER A 2 21.600 -6.837 -11.522 1.00 0.00 O ATOM 12 CB SER A 2 23.037 -8.081 -14.129 1.00 0.00 C ATOM 13 OG SER A 2 22.898 -9.491 -14.120 1.00 0.00 O ATOM 0 H SER A 2 22.634 -5.696 -14.657 1.00 0.00 H new ATOM 0 HA SER A 2 20.938 -7.822 -14.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.425 -7.757 -15.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.764 -7.779 -13.375 1.00 0.00 H new ATOM 0 HG SER A 2 23.767 -9.907 -14.299 1.00 0.00 H new ATOM 19 N SER A 3 20.560 -8.722 -12.177 1.00 0.00 N ATOM 20 CA SER A 3 20.093 -9.059 -10.838 1.00 0.00 C ATOM 21 C SER A 3 20.204 -10.560 -10.586 1.00 0.00 C ATOM 22 O SER A 3 19.937 -11.372 -11.471 1.00 0.00 O ATOM 23 CB SER A 3 18.643 -8.606 -10.650 1.00 0.00 C ATOM 24 OG SER A 3 17.798 -9.185 -11.629 1.00 0.00 O ATOM 0 H SER A 3 20.289 -9.390 -12.899 1.00 0.00 H new ATOM 0 HA SER A 3 20.725 -8.538 -10.119 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.297 -8.886 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.587 -7.519 -10.713 1.00 0.00 H new ATOM 0 HG SER A 3 16.877 -8.882 -11.487 1.00 0.00 H new ATOM 30 N GLY A 4 20.601 -10.922 -9.368 1.00 0.00 N ATOM 31 CA GLY A 4 20.741 -12.324 -9.020 1.00 0.00 C ATOM 32 C GLY A 4 19.808 -12.739 -7.903 1.00 0.00 C ATOM 33 O GLY A 4 18.840 -12.041 -7.600 1.00 0.00 O ATOM 0 H GLY A 4 20.828 -10.269 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.543 -12.935 -9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.771 -12.520 -8.721 1.00 0.00 H new ATOM 37 N SER A 5 20.094 -13.883 -7.289 1.00 0.00 N ATOM 38 CA SER A 5 19.267 -14.396 -6.202 1.00 0.00 C ATOM 39 C SER A 5 19.567 -13.659 -4.899 1.00 0.00 C ATOM 40 O SER A 5 20.584 -13.909 -4.252 1.00 0.00 O ATOM 41 CB SER A 5 19.501 -15.895 -6.018 1.00 0.00 C ATOM 42 OG SER A 5 20.865 -16.170 -5.747 1.00 0.00 O ATOM 0 H SER A 5 20.892 -14.472 -7.526 1.00 0.00 H new ATOM 0 HA SER A 5 18.222 -14.229 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.883 -16.265 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.191 -16.427 -6.917 1.00 0.00 H new ATOM 0 HG SER A 5 21.224 -15.485 -5.145 1.00 0.00 H new ATOM 48 N SER A 6 18.673 -12.750 -4.521 1.00 0.00 N ATOM 49 CA SER A 6 18.843 -11.974 -3.298 1.00 0.00 C ATOM 50 C SER A 6 17.492 -11.536 -2.741 1.00 0.00 C ATOM 51 O SER A 6 16.555 -11.269 -3.493 1.00 0.00 O ATOM 52 CB SER A 6 19.720 -10.750 -3.563 1.00 0.00 C ATOM 53 OG SER A 6 20.965 -11.126 -4.126 1.00 0.00 O ATOM 0 H SER A 6 17.824 -12.533 -5.044 1.00 0.00 H new ATOM 0 HA SER A 6 19.332 -12.609 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.203 -10.068 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.887 -10.210 -2.631 1.00 0.00 H new ATOM 0 HG SER A 6 21.506 -10.325 -4.287 1.00 0.00 H new ATOM 59 N GLY A 7 17.399 -11.465 -1.417 1.00 0.00 N ATOM 60 CA GLY A 7 16.159 -11.059 -0.781 1.00 0.00 C ATOM 61 C GLY A 7 15.913 -9.568 -0.890 1.00 0.00 C ATOM 62 O GLY A 7 15.743 -8.885 0.121 1.00 0.00 O ATOM 0 H GLY A 7 18.160 -11.681 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.327 -11.596 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.183 -11.344 0.271 1.00 0.00 H new ATOM 66 N GLN A 8 15.895 -9.061 -2.119 1.00 0.00 N ATOM 67 CA GLN A 8 15.670 -7.640 -2.354 1.00 0.00 C ATOM 68 C GLN A 8 14.188 -7.354 -2.583 1.00 0.00 C ATOM 69 O GLN A 8 13.452 -8.169 -3.138 1.00 0.00 O ATOM 70 CB GLN A 8 16.484 -7.166 -3.560 1.00 0.00 C ATOM 71 CG GLN A 8 15.742 -7.288 -4.880 1.00 0.00 C ATOM 72 CD GLN A 8 16.575 -6.834 -6.061 1.00 0.00 C ATOM 73 OE1 GLN A 8 16.284 -5.812 -6.686 1.00 0.00 O ATOM 74 NE2 GLN A 8 17.621 -7.590 -6.376 1.00 0.00 N ATOM 0 H GLN A 8 16.033 -9.613 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 8 15.995 -7.095 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.770 -6.125 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.406 -7.745 -3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.442 -8.325 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.828 -6.695 -4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.827 -8.428 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.219 -7.332 -7.161 1.00 0.00 H new ATOM 83 N PRO A 9 13.741 -6.169 -2.143 1.00 0.00 N ATOM 84 CA PRO A 9 12.344 -5.748 -2.288 1.00 0.00 C ATOM 85 C PRO A 9 11.972 -5.461 -3.739 1.00 0.00 C ATOM 86 O PRO A 9 12.799 -5.029 -4.542 1.00 0.00 O ATOM 87 CB PRO A 9 12.271 -4.466 -1.455 1.00 0.00 C ATOM 88 CG PRO A 9 13.665 -3.941 -1.444 1.00 0.00 C ATOM 89 CD PRO A 9 14.562 -5.149 -1.471 1.00 0.00 C ATOM 0 HA PRO A 9 11.650 -6.524 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.581 -3.747 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.917 -4.670 -0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.848 -3.300 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.848 -3.338 -0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.485 -4.952 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.847 -5.461 -0.466 1.00 0.00 H new ATOM 97 N PRO A 10 10.700 -5.706 -4.084 1.00 0.00 N ATOM 98 CA PRO A 10 10.190 -5.481 -5.441 1.00 0.00 C ATOM 99 C PRO A 10 10.101 -3.998 -5.787 1.00 0.00 C ATOM 100 O PRO A 10 10.450 -3.138 -4.976 1.00 0.00 O ATOM 101 CB PRO A 10 8.793 -6.105 -5.403 1.00 0.00 C ATOM 102 CG PRO A 10 8.392 -6.051 -3.969 1.00 0.00 C ATOM 103 CD PRO A 10 9.660 -6.222 -3.179 1.00 0.00 C ATOM 0 HA PRO A 10 10.844 -5.912 -6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.095 -5.551 -6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.808 -7.131 -5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.910 -5.102 -3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.676 -6.839 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.629 -5.663 -2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.835 -7.267 -2.921 1.00 0.00 H new ATOM 111 N LEU A 11 9.633 -3.705 -6.995 1.00 0.00 N ATOM 112 CA LEU A 11 9.497 -2.324 -7.448 1.00 0.00 C ATOM 113 C LEU A 11 8.436 -1.586 -6.638 1.00 0.00 C ATOM 114 O LEU A 11 7.432 -2.170 -6.231 1.00 0.00 O ATOM 115 CB LEU A 11 9.137 -2.288 -8.934 1.00 0.00 C ATOM 116 CG LEU A 11 9.520 -1.014 -9.687 1.00 0.00 C ATOM 117 CD1 LEU A 11 10.970 -1.077 -10.140 1.00 0.00 C ATOM 118 CD2 LEU A 11 8.596 -0.799 -10.878 1.00 0.00 C ATOM 0 H LEU A 11 9.341 -4.404 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 11 10.454 -1.823 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.618 -3.134 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.061 -2.433 -9.030 1.00 0.00 H new ATOM 0 HG LEU A 11 9.409 -0.168 -9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.224 -0.162 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.619 -1.182 -9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.108 -1.933 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.884 0.112 -11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.674 -1.648 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.568 -0.707 -10.529 1.00 0.00 H new ATOM 130 N LYS A 12 8.665 -0.297 -6.409 1.00 0.00 N ATOM 131 CA LYS A 12 7.727 0.522 -5.651 1.00 0.00 C ATOM 132 C LYS A 12 6.304 0.339 -6.163 1.00 0.00 C ATOM 133 O LYS A 12 5.365 0.198 -5.381 1.00 0.00 O ATOM 134 CB LYS A 12 8.124 1.998 -5.737 1.00 0.00 C ATOM 135 CG LYS A 12 8.151 2.540 -7.156 1.00 0.00 C ATOM 136 CD LYS A 12 8.567 4.001 -7.188 1.00 0.00 C ATOM 137 CE LYS A 12 10.072 4.155 -7.033 1.00 0.00 C ATOM 138 NZ LYS A 12 10.538 5.507 -7.448 1.00 0.00 N ATOM 0 H LYS A 12 9.492 0.202 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 12 7.763 0.200 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.425 2.589 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.109 2.127 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.843 1.951 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.164 2.432 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.249 4.450 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.060 4.542 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.350 3.979 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.578 3.397 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.569 5.571 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.296 5.666 -8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.075 6.229 -6.860 1.00 0.00 H new ATOM 152 N ASN A 13 6.151 0.338 -7.484 1.00 0.00 N ATOM 153 CA ASN A 13 4.841 0.168 -8.102 1.00 0.00 C ATOM 154 C ASN A 13 4.063 -0.959 -7.429 1.00 0.00 C ATOM 155 O ASN A 13 2.832 -0.980 -7.454 1.00 0.00 O ATOM 156 CB ASN A 13 4.991 -0.122 -9.596 1.00 0.00 C ATOM 157 CG ASN A 13 5.692 1.001 -10.335 1.00 0.00 C ATOM 158 OD1 ASN A 13 6.817 1.373 -10.001 1.00 0.00 O ATOM 159 ND2 ASN A 13 5.028 1.549 -11.347 1.00 0.00 N ATOM 0 H ASN A 13 6.918 0.453 -8.146 1.00 0.00 H new ATOM 0 HA ASN A 13 4.285 1.096 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.552 -1.047 -9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.005 -0.281 -10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.449 2.309 -11.881 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.097 1.210 -11.590 1.00 0.00 H new ATOM 166 N LEU A 14 4.790 -1.893 -6.828 1.00 0.00 N ATOM 167 CA LEU A 14 4.169 -3.025 -6.148 1.00 0.00 C ATOM 168 C LEU A 14 3.057 -2.557 -5.214 1.00 0.00 C ATOM 169 O LEU A 14 1.940 -3.077 -5.253 1.00 0.00 O ATOM 170 CB LEU A 14 5.219 -3.807 -5.354 1.00 0.00 C ATOM 171 CG LEU A 14 4.809 -5.207 -4.896 1.00 0.00 C ATOM 172 CD1 LEU A 14 3.732 -5.125 -3.826 1.00 0.00 C ATOM 173 CD2 LEU A 14 4.326 -6.035 -6.079 1.00 0.00 C ATOM 0 H LEU A 14 5.810 -1.890 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 14 3.733 -3.676 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.117 -3.895 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.489 -3.223 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 14 5.682 -5.698 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.453 -6.131 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.113 -4.570 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.857 -4.615 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.038 -7.028 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.466 -5.547 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.127 -6.123 -6.813 1.00 0.00 H new ATOM 185 N LEU A 15 3.368 -1.571 -4.381 1.00 0.00 N ATOM 186 CA LEU A 15 2.393 -1.029 -3.440 1.00 0.00 C ATOM 187 C LEU A 15 1.256 -0.328 -4.177 1.00 0.00 C ATOM 188 O LEU A 15 0.170 -0.142 -3.629 1.00 0.00 O ATOM 189 CB LEU A 15 3.073 -0.052 -2.478 1.00 0.00 C ATOM 190 CG LEU A 15 3.475 1.299 -3.068 1.00 0.00 C ATOM 191 CD1 LEU A 15 2.269 2.221 -3.164 1.00 0.00 C ATOM 192 CD2 LEU A 15 4.573 1.941 -2.232 1.00 0.00 C ATOM 0 H LEU A 15 4.287 -1.130 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 15 1.974 -1.858 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.402 0.126 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.966 -0.531 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 15 3.861 1.133 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.575 3.178 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.514 1.767 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.853 2.380 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.847 2.902 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.214 2.092 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.446 1.289 -2.215 1.00 0.00 H new ATOM 204 N SER A 16 1.514 0.057 -5.421 1.00 0.00 N ATOM 205 CA SER A 16 0.513 0.739 -6.234 1.00 0.00 C ATOM 206 C SER A 16 -0.456 -0.262 -6.855 1.00 0.00 C ATOM 207 O SER A 16 -1.651 0.011 -6.987 1.00 0.00 O ATOM 208 CB SER A 16 1.189 1.560 -7.333 1.00 0.00 C ATOM 209 OG SER A 16 2.046 2.544 -6.779 1.00 0.00 O ATOM 0 H SER A 16 2.408 -0.091 -5.889 1.00 0.00 H new ATOM 0 HA SER A 16 -0.050 1.409 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.761 0.900 -7.985 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.431 2.040 -7.952 1.00 0.00 H new ATOM 0 HG SER A 16 2.468 3.055 -7.501 1.00 0.00 H new ATOM 215 N LEU A 17 0.065 -1.422 -7.237 1.00 0.00 N ATOM 216 CA LEU A 17 -0.753 -2.466 -7.845 1.00 0.00 C ATOM 217 C LEU A 17 -1.801 -2.979 -6.862 1.00 0.00 C ATOM 218 O LEU A 17 -2.960 -3.180 -7.222 1.00 0.00 O ATOM 219 CB LEU A 17 0.131 -3.623 -8.317 1.00 0.00 C ATOM 220 CG LEU A 17 0.829 -3.429 -9.663 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.184 -2.767 -9.471 1.00 0.00 C ATOM 222 CD2 LEU A 17 0.981 -4.761 -10.381 1.00 0.00 C ATOM 0 H LEU A 17 1.051 -1.664 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.268 -2.036 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.892 -3.805 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.482 -4.522 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 17 0.213 -2.775 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.666 -2.637 -10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.050 -1.794 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.809 -3.395 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.480 -4.604 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.576 -5.439 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.003 -5.196 -10.552 1.00 0.00 H new ATOM 234 N LEU A 18 -1.384 -3.188 -5.617 1.00 0.00 N ATOM 235 CA LEU A 18 -2.287 -3.676 -4.581 1.00 0.00 C ATOM 236 C LEU A 18 -3.349 -2.633 -4.249 1.00 0.00 C ATOM 237 O LEU A 18 -4.501 -2.968 -3.971 1.00 0.00 O ATOM 238 CB LEU A 18 -1.500 -4.037 -3.319 1.00 0.00 C ATOM 239 CG LEU A 18 -0.940 -5.458 -3.262 1.00 0.00 C ATOM 240 CD1 LEU A 18 0.066 -5.591 -2.129 1.00 0.00 C ATOM 241 CD2 LEU A 18 -2.067 -6.469 -3.099 1.00 0.00 C ATOM 0 H LEU A 18 -0.427 -3.027 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.785 -4.568 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.671 -3.337 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.148 -3.888 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.427 -5.664 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.454 -6.609 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.888 -4.894 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.422 -5.365 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.650 -7.475 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.608 -6.265 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.750 -6.392 -3.945 1.00 0.00 H new ATOM 253 N LYS A 19 -2.955 -1.363 -4.281 1.00 0.00 N ATOM 254 CA LYS A 19 -3.873 -0.270 -3.987 1.00 0.00 C ATOM 255 C LYS A 19 -5.180 -0.433 -4.758 1.00 0.00 C ATOM 256 O LYS A 19 -6.248 -0.064 -4.272 1.00 0.00 O ATOM 257 CB LYS A 19 -3.228 1.074 -4.337 1.00 0.00 C ATOM 258 CG LYS A 19 -3.728 2.229 -3.489 1.00 0.00 C ATOM 259 CD LYS A 19 -5.014 2.815 -4.049 1.00 0.00 C ATOM 260 CE LYS A 19 -5.406 4.093 -3.325 1.00 0.00 C ATOM 261 NZ LYS A 19 -4.553 5.246 -3.729 1.00 0.00 N ATOM 0 H LYS A 19 -2.006 -1.067 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.095 -0.294 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.148 0.990 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.419 1.296 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.897 1.886 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.964 3.005 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.888 3.022 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.817 2.084 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.450 4.323 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.324 3.940 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.944 5.523 -2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.960 4.973 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.158 6.048 -3.998 1.00 0.00 H new ATOM 275 N ALA A 20 -5.086 -0.990 -5.959 1.00 0.00 N ATOM 276 CA ALA A 20 -6.260 -1.207 -6.795 1.00 0.00 C ATOM 277 C ALA A 20 -7.361 -1.923 -6.020 1.00 0.00 C ATOM 278 O ALA A 20 -8.548 -1.689 -6.248 1.00 0.00 O ATOM 279 CB ALA A 20 -5.886 -2.000 -8.039 1.00 0.00 C ATOM 0 H ALA A 20 -4.208 -1.300 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.641 -0.233 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.773 -2.154 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.140 -1.449 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.476 -2.966 -7.745 1.00 0.00 H new ATOM 285 N TYR A 21 -6.961 -2.796 -5.104 1.00 0.00 N ATOM 286 CA TYR A 21 -7.913 -3.550 -4.297 1.00 0.00 C ATOM 287 C TYR A 21 -8.594 -2.645 -3.273 1.00 0.00 C ATOM 288 O TYR A 21 -9.819 -2.518 -3.258 1.00 0.00 O ATOM 289 CB TYR A 21 -7.209 -4.705 -3.584 1.00 0.00 C ATOM 290 CG TYR A 21 -6.899 -5.876 -4.488 1.00 0.00 C ATOM 291 CD1 TYR A 21 -7.819 -6.900 -4.671 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.686 -5.958 -5.161 1.00 0.00 C ATOM 293 CE1 TYR A 21 -7.541 -7.972 -5.496 1.00 0.00 C ATOM 294 CE2 TYR A 21 -5.400 -7.026 -5.990 1.00 0.00 C ATOM 295 CZ TYR A 21 -6.330 -8.031 -6.153 1.00 0.00 C ATOM 296 OH TYR A 21 -6.049 -9.097 -6.977 1.00 0.00 O ATOM 0 H TYR A 21 -5.982 -3.000 -4.901 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.675 -3.955 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.280 -4.339 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.835 -5.048 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.769 -6.857 -4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.954 -5.174 -5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.268 -8.760 -5.626 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.453 -7.073 -6.507 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.156 -8.985 -7.364 1.00 0.00 H new ATOM 306 N TYR A 22 -7.791 -2.019 -2.420 1.00 0.00 N ATOM 307 CA TYR A 22 -8.317 -1.128 -1.392 1.00 0.00 C ATOM 308 C TYR A 22 -9.526 -0.355 -1.907 1.00 0.00 C ATOM 309 O TYR A 22 -10.518 -0.190 -1.198 1.00 0.00 O ATOM 310 CB TYR A 22 -7.231 -0.152 -0.931 1.00 0.00 C ATOM 311 CG TYR A 22 -7.427 0.348 0.481 1.00 0.00 C ATOM 312 CD1 TYR A 22 -8.596 1.001 0.852 1.00 0.00 C ATOM 313 CD2 TYR A 22 -6.444 0.168 1.446 1.00 0.00 C ATOM 314 CE1 TYR A 22 -8.779 1.461 2.142 1.00 0.00 C ATOM 315 CE2 TYR A 22 -6.619 0.622 2.739 1.00 0.00 C ATOM 316 CZ TYR A 22 -7.788 1.269 3.082 1.00 0.00 C ATOM 317 OH TYR A 22 -7.967 1.724 4.368 1.00 0.00 O ATOM 0 H TYR A 22 -6.775 -2.112 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.633 -1.737 -0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.260 -0.642 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.209 0.701 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.375 1.152 0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.526 -0.336 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.693 1.968 2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.845 0.471 3.477 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.921 1.709 4.591 1.00 0.00 H new ATOM 327 N ALA A 23 -9.434 0.118 -3.145 1.00 0.00 N ATOM 328 CA ALA A 23 -10.522 0.871 -3.758 1.00 0.00 C ATOM 329 C ALA A 23 -11.856 0.154 -3.578 1.00 0.00 C ATOM 330 O ALA A 23 -12.748 0.644 -2.886 1.00 0.00 O ATOM 331 CB ALA A 23 -10.238 1.103 -5.235 1.00 0.00 C ATOM 0 H ALA A 23 -8.618 -0.007 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.589 1.837 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.059 1.666 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.311 1.666 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.141 0.143 -5.742 1.00 0.00 H new ATOM 337 N LEU A 24 -11.986 -1.008 -4.209 1.00 0.00 N ATOM 338 CA LEU A 24 -13.212 -1.793 -4.120 1.00 0.00 C ATOM 339 C LEU A 24 -13.421 -2.319 -2.705 1.00 0.00 C ATOM 340 O LEU A 24 -14.542 -2.339 -2.197 1.00 0.00 O ATOM 341 CB LEU A 24 -13.167 -2.960 -5.108 1.00 0.00 C ATOM 342 CG LEU A 24 -12.237 -4.117 -4.739 1.00 0.00 C ATOM 343 CD1 LEU A 24 -12.978 -5.151 -3.905 1.00 0.00 C ATOM 344 CD2 LEU A 24 -11.658 -4.756 -5.992 1.00 0.00 C ATOM 0 H LEU A 24 -11.258 -1.427 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.049 -1.142 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.177 -3.354 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.865 -2.574 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.414 -3.721 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.301 -5.967 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.344 -4.686 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.821 -5.542 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.999 -5.577 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.468 -5.138 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.092 -4.012 -6.552 1.00 0.00 H new ATOM 356 N ASN A 25 -12.332 -2.743 -2.070 1.00 0.00 N ATOM 357 CA ASN A 25 -12.396 -3.268 -0.710 1.00 0.00 C ATOM 358 C ASN A 25 -11.513 -2.452 0.230 1.00 0.00 C ATOM 359 O ASN A 25 -10.329 -2.742 0.391 1.00 0.00 O ATOM 360 CB ASN A 25 -11.965 -4.736 -0.687 1.00 0.00 C ATOM 361 CG ASN A 25 -12.624 -5.514 0.436 1.00 0.00 C ATOM 362 OD1 ASN A 25 -12.601 -4.950 1.637 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -13.145 -6.609 0.224 1.00 0.00 N flip ATOM 0 H ASN A 25 -11.396 -2.733 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.428 -3.194 -0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.214 -5.200 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.882 -4.792 -0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.138 -7.003 -0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.583 -7.122 0.989 1.00 0.00 H new ATOM 370 N ALA A 26 -12.100 -1.432 0.846 1.00 0.00 N ATOM 371 CA ALA A 26 -11.369 -0.575 1.772 1.00 0.00 C ATOM 372 C ALA A 26 -10.507 -1.403 2.720 1.00 0.00 C ATOM 373 O ALA A 26 -9.278 -1.378 2.637 1.00 0.00 O ATOM 374 CB ALA A 26 -12.334 0.297 2.560 1.00 0.00 C ATOM 0 H ALA A 26 -13.080 -1.178 0.721 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.710 0.068 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.773 0.931 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.904 0.922 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.017 -0.336 3.126 1.00 0.00 H new ATOM 380 N GLN A 27 -11.157 -2.133 3.620 1.00 0.00 N ATOM 381 CA GLN A 27 -10.449 -2.966 4.584 1.00 0.00 C ATOM 382 C GLN A 27 -11.043 -4.371 4.630 1.00 0.00 C ATOM 383 O GLN A 27 -11.889 -4.684 5.469 1.00 0.00 O ATOM 384 CB GLN A 27 -10.501 -2.331 5.974 1.00 0.00 C ATOM 385 CG GLN A 27 -11.904 -1.952 6.418 1.00 0.00 C ATOM 386 CD GLN A 27 -12.287 -0.545 6.004 1.00 0.00 C ATOM 387 OE1 GLN A 27 -11.482 0.381 6.090 1.00 0.00 O ATOM 388 NE2 GLN A 27 -13.525 -0.377 5.551 1.00 0.00 N ATOM 0 H GLN A 27 -12.173 -2.164 3.702 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.409 -3.042 4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.075 -3.026 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.874 -1.440 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.618 -2.658 5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.974 -2.039 7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.160 -1.173 5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.840 0.548 5.258 1.00 0.00 H new ATOM 397 N PRO A 28 -10.592 -5.235 3.711 1.00 0.00 N ATOM 398 CA PRO A 28 -11.066 -6.620 3.627 1.00 0.00 C ATOM 399 C PRO A 28 -10.588 -7.468 4.800 1.00 0.00 C ATOM 400 O PRO A 28 -9.488 -7.268 5.317 1.00 0.00 O ATOM 401 CB PRO A 28 -10.453 -7.126 2.318 1.00 0.00 C ATOM 402 CG PRO A 28 -9.245 -6.279 2.113 1.00 0.00 C ATOM 403 CD PRO A 28 -9.584 -4.929 2.682 1.00 0.00 C ATOM 0 HA PRO A 28 -12.154 -6.681 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.189 -8.181 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.153 -7.025 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.378 -6.708 2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.995 -6.205 1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.708 -4.442 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.980 -4.259 1.919 1.00 0.00 H new ATOM 411 N SER A 29 -11.422 -8.416 5.218 1.00 0.00 N ATOM 412 CA SER A 29 -11.087 -9.293 6.333 1.00 0.00 C ATOM 413 C SER A 29 -10.219 -10.458 5.866 1.00 0.00 C ATOM 414 O SER A 29 -10.122 -10.734 4.671 1.00 0.00 O ATOM 415 CB SER A 29 -12.360 -9.822 6.994 1.00 0.00 C ATOM 416 OG SER A 29 -13.330 -8.798 7.129 1.00 0.00 O ATOM 0 H SER A 29 -12.335 -8.596 4.800 1.00 0.00 H new ATOM 0 HA SER A 29 -10.523 -8.713 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.770 -10.639 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.120 -10.231 7.975 1.00 0.00 H new ATOM 0 HG SER A 29 -14.135 -9.163 7.553 1.00 0.00 H new ATOM 422 N ALA A 30 -9.589 -11.137 6.820 1.00 0.00 N ATOM 423 CA ALA A 30 -8.732 -12.275 6.507 1.00 0.00 C ATOM 424 C ALA A 30 -9.329 -13.122 5.390 1.00 0.00 C ATOM 425 O ALA A 30 -8.753 -13.234 4.308 1.00 0.00 O ATOM 426 CB ALA A 30 -8.505 -13.121 7.752 1.00 0.00 C ATOM 0 H ALA A 30 -9.656 -10.919 7.814 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.772 -11.892 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.864 -13.967 7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.026 -12.515 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.462 -13.487 8.123 1.00 0.00 H new ATOM 432 N GLU A 31 -10.487 -13.719 5.658 1.00 0.00 N ATOM 433 CA GLU A 31 -11.159 -14.558 4.674 1.00 0.00 C ATOM 434 C GLU A 31 -10.946 -14.018 3.263 1.00 0.00 C ATOM 435 O GLU A 31 -10.810 -14.783 2.309 1.00 0.00 O ATOM 436 CB GLU A 31 -12.656 -14.640 4.980 1.00 0.00 C ATOM 437 CG GLU A 31 -12.969 -15.264 6.330 1.00 0.00 C ATOM 438 CD GLU A 31 -14.455 -15.296 6.628 1.00 0.00 C ATOM 439 OE1 GLU A 31 -14.985 -14.278 7.122 1.00 0.00 O ATOM 440 OE2 GLU A 31 -15.089 -16.340 6.367 1.00 0.00 O ATOM 0 H GLU A 31 -10.978 -13.637 6.548 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.728 -15.558 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.081 -13.637 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.147 -15.220 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.575 -16.280 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.457 -14.703 7.112 1.00 0.00 H new ATOM 447 N GLU A 32 -10.920 -12.695 3.139 1.00 0.00 N ATOM 448 CA GLU A 32 -10.725 -12.053 1.844 1.00 0.00 C ATOM 449 C GLU A 32 -9.240 -11.860 1.550 1.00 0.00 C ATOM 450 O GLU A 32 -8.740 -12.298 0.513 1.00 0.00 O ATOM 451 CB GLU A 32 -11.443 -10.701 1.807 1.00 0.00 C ATOM 452 CG GLU A 32 -12.958 -10.818 1.795 1.00 0.00 C ATOM 453 CD GLU A 32 -13.635 -9.567 1.269 1.00 0.00 C ATOM 454 OE1 GLU A 32 -13.149 -9.008 0.264 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.651 -9.147 1.861 1.00 0.00 O ATOM 0 H GLU A 32 -11.031 -12.047 3.919 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.148 -12.703 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.139 -10.114 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.122 -10.152 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.248 -11.670 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.311 -11.020 2.806 1.00 0.00 H new ATOM 462 N LEU A 33 -8.543 -11.202 2.470 1.00 0.00 N ATOM 463 CA LEU A 33 -7.114 -10.949 2.309 1.00 0.00 C ATOM 464 C LEU A 33 -6.426 -12.130 1.632 1.00 0.00 C ATOM 465 O LEU A 33 -5.873 -11.996 0.541 1.00 0.00 O ATOM 466 CB LEU A 33 -6.469 -10.681 3.670 1.00 0.00 C ATOM 467 CG LEU A 33 -6.650 -9.270 4.232 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.524 -9.279 5.747 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.637 -8.317 3.615 1.00 0.00 C ATOM 0 H LEU A 33 -8.942 -10.834 3.334 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.993 -10.070 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.876 -11.392 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.401 -10.885 3.590 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.650 -8.922 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.656 -8.267 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.289 -9.929 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.537 -9.647 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.780 -7.318 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.628 -8.662 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.776 -8.288 2.534 1.00 0.00 H new ATOM 481 N SER A 34 -6.465 -13.287 2.286 1.00 0.00 N ATOM 482 CA SER A 34 -5.843 -14.491 1.747 1.00 0.00 C ATOM 483 C SER A 34 -6.070 -14.592 0.242 1.00 0.00 C ATOM 484 O SER A 34 -5.121 -14.694 -0.536 1.00 0.00 O ATOM 485 CB SER A 34 -6.401 -15.733 2.444 1.00 0.00 C ATOM 486 OG SER A 34 -5.885 -16.918 1.862 1.00 0.00 O ATOM 0 H SER A 34 -6.921 -13.416 3.189 1.00 0.00 H new ATOM 0 HA SER A 34 -4.770 -14.431 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.148 -15.704 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.489 -15.734 2.376 1.00 0.00 H new ATOM 0 HG SER A 34 -6.255 -17.698 2.326 1.00 0.00 H new ATOM 492 N LYS A 35 -7.336 -14.564 -0.163 1.00 0.00 N ATOM 493 CA LYS A 35 -7.691 -14.652 -1.574 1.00 0.00 C ATOM 494 C LYS A 35 -7.007 -13.549 -2.376 1.00 0.00 C ATOM 495 O LYS A 35 -6.402 -13.810 -3.417 1.00 0.00 O ATOM 496 CB LYS A 35 -9.208 -14.556 -1.747 1.00 0.00 C ATOM 497 CG LYS A 35 -9.920 -15.891 -1.618 1.00 0.00 C ATOM 498 CD LYS A 35 -9.794 -16.457 -0.213 1.00 0.00 C ATOM 499 CE LYS A 35 -10.018 -17.961 -0.196 1.00 0.00 C ATOM 500 NZ LYS A 35 -10.037 -18.504 1.191 1.00 0.00 N ATOM 0 H LYS A 35 -8.134 -14.481 0.467 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.349 -15.617 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.607 -13.867 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.427 -14.130 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.974 -15.768 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.502 -16.598 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.804 -16.231 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.518 -15.973 0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.962 -18.193 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.230 -18.452 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.192 -19.532 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.127 -18.305 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.805 -18.055 1.729 1.00 0.00 H new ATOM 514 N ILE A 36 -7.104 -12.319 -1.886 1.00 0.00 N ATOM 515 CA ILE A 36 -6.492 -11.178 -2.556 1.00 0.00 C ATOM 516 C ILE A 36 -4.992 -11.386 -2.735 1.00 0.00 C ATOM 517 O ILE A 36 -4.394 -10.871 -3.680 1.00 0.00 O ATOM 518 CB ILE A 36 -6.729 -9.873 -1.774 1.00 0.00 C ATOM 519 CG1 ILE A 36 -8.225 -9.568 -1.687 1.00 0.00 C ATOM 520 CG2 ILE A 36 -5.987 -8.719 -2.433 1.00 0.00 C ATOM 521 CD1 ILE A 36 -8.582 -8.604 -0.577 1.00 0.00 C ATOM 0 H ILE A 36 -7.601 -12.086 -1.026 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.964 -11.096 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.343 -9.999 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.559 -9.154 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.769 -10.500 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.164 -7.803 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.919 -8.935 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.346 -8.591 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.659 -8.434 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.279 -9.025 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.066 -7.658 -0.737 1.00 0.00 H new ATOM 533 N ALA A 37 -4.393 -12.144 -1.824 1.00 0.00 N ATOM 534 CA ALA A 37 -2.963 -12.424 -1.884 1.00 0.00 C ATOM 535 C ALA A 37 -2.648 -13.444 -2.974 1.00 0.00 C ATOM 536 O ALA A 37 -1.798 -13.205 -3.833 1.00 0.00 O ATOM 537 CB ALA A 37 -2.466 -12.921 -0.536 1.00 0.00 C ATOM 0 H ALA A 37 -4.875 -12.576 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.447 -11.496 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.397 -13.126 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.648 -12.159 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.996 -13.835 -0.267 1.00 0.00 H new ATOM 543 N ASP A 38 -3.338 -14.578 -2.933 1.00 0.00 N ATOM 544 CA ASP A 38 -3.132 -15.635 -3.917 1.00 0.00 C ATOM 545 C ASP A 38 -3.127 -15.065 -5.333 1.00 0.00 C ATOM 546 O ASP A 38 -2.543 -15.648 -6.246 1.00 0.00 O ATOM 547 CB ASP A 38 -4.219 -16.701 -3.788 1.00 0.00 C ATOM 548 CG ASP A 38 -3.871 -17.976 -4.531 1.00 0.00 C ATOM 549 OD1 ASP A 38 -4.124 -18.039 -5.753 1.00 0.00 O ATOM 550 OD2 ASP A 38 -3.345 -18.911 -3.891 1.00 0.00 O ATOM 0 H ASP A 38 -4.045 -14.789 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.162 -16.092 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.376 -16.930 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.159 -16.305 -4.172 1.00 0.00 H new ATOM 555 N SER A 39 -3.782 -13.922 -5.507 1.00 0.00 N ATOM 556 CA SER A 39 -3.857 -13.275 -6.812 1.00 0.00 C ATOM 557 C SER A 39 -2.518 -12.648 -7.185 1.00 0.00 C ATOM 558 O SER A 39 -2.012 -12.846 -8.291 1.00 0.00 O ATOM 559 CB SER A 39 -4.951 -12.206 -6.813 1.00 0.00 C ATOM 560 OG SER A 39 -5.195 -11.726 -8.124 1.00 0.00 O ATOM 0 H SER A 39 -4.268 -13.425 -4.761 1.00 0.00 H new ATOM 0 HA SER A 39 -4.102 -14.036 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.869 -12.621 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.655 -11.378 -6.169 1.00 0.00 H new ATOM 0 HG SER A 39 -5.517 -10.802 -8.079 1.00 0.00 H new ATOM 566 N VAL A 40 -1.947 -11.889 -6.255 1.00 0.00 N ATOM 567 CA VAL A 40 -0.666 -11.232 -6.485 1.00 0.00 C ATOM 568 C VAL A 40 0.496 -12.163 -6.157 1.00 0.00 C ATOM 569 O VAL A 40 1.639 -11.727 -6.036 1.00 0.00 O ATOM 570 CB VAL A 40 -0.534 -9.948 -5.644 1.00 0.00 C ATOM 571 CG1 VAL A 40 -1.471 -8.869 -6.166 1.00 0.00 C ATOM 572 CG2 VAL A 40 -0.811 -10.242 -4.177 1.00 0.00 C ATOM 0 H VAL A 40 -2.352 -11.714 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.631 -10.970 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 40 0.489 -9.581 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.364 -7.970 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.221 -8.640 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.500 -9.223 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.713 -9.324 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.822 -10.634 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.096 -10.979 -3.812 1.00 0.00 H new ATOM 582 N ASN A 41 0.194 -13.450 -6.012 1.00 0.00 N ATOM 583 CA ASN A 41 1.212 -14.443 -5.697 1.00 0.00 C ATOM 584 C ASN A 41 1.931 -14.092 -4.397 1.00 0.00 C ATOM 585 O ASN A 41 3.121 -14.370 -4.238 1.00 0.00 O ATOM 586 CB ASN A 41 2.224 -14.548 -6.839 1.00 0.00 C ATOM 587 CG ASN A 41 1.606 -15.102 -8.108 1.00 0.00 C ATOM 588 OD1 ASN A 41 1.348 -16.302 -8.215 1.00 0.00 O ATOM 589 ND2 ASN A 41 1.368 -14.229 -9.081 1.00 0.00 N ATOM 0 H ASN A 41 -0.748 -13.828 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 41 0.717 -15.406 -5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.643 -13.562 -7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.051 -15.188 -6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.956 -14.544 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.597 -13.244 -8.950 1.00 0.00 H new ATOM 596 N LEU A 42 1.202 -13.481 -3.470 1.00 0.00 N ATOM 597 CA LEU A 42 1.769 -13.092 -2.184 1.00 0.00 C ATOM 598 C LEU A 42 1.004 -13.738 -1.034 1.00 0.00 C ATOM 599 O LEU A 42 -0.168 -14.095 -1.158 1.00 0.00 O ATOM 600 CB LEU A 42 1.748 -11.570 -2.034 1.00 0.00 C ATOM 601 CG LEU A 42 2.766 -10.798 -2.875 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.743 -9.321 -2.516 1.00 0.00 C ATOM 603 CD2 LEU A 42 4.161 -11.374 -2.683 1.00 0.00 C ATOM 0 H LEU A 42 0.217 -13.244 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 42 2.801 -13.440 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.750 -11.214 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.914 -11.326 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 42 2.494 -10.900 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.473 -8.787 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.749 -8.916 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.990 -9.199 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.873 -10.813 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.443 -11.303 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.168 -12.420 -2.990 1.00 0.00 H new ATOM 615 N PRO A 43 1.679 -13.891 0.116 1.00 0.00 N ATOM 616 CA PRO A 43 1.081 -14.492 1.311 1.00 0.00 C ATOM 617 C PRO A 43 0.019 -13.597 1.939 1.00 0.00 C ATOM 618 O PRO A 43 -0.189 -12.463 1.507 1.00 0.00 O ATOM 619 CB PRO A 43 2.273 -14.656 2.259 1.00 0.00 C ATOM 620 CG PRO A 43 3.248 -13.618 1.823 1.00 0.00 C ATOM 621 CD PRO A 43 3.077 -13.489 0.335 1.00 0.00 C ATOM 0 HA PRO A 43 0.567 -15.426 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.976 -14.509 3.298 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.701 -15.656 2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.056 -12.668 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.268 -13.910 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.259 -12.469 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.770 -14.133 -0.206 1.00 0.00 H new ATOM 629 N LEU A 44 -0.651 -14.114 2.964 1.00 0.00 N ATOM 630 CA LEU A 44 -1.691 -13.360 3.655 1.00 0.00 C ATOM 631 C LEU A 44 -1.083 -12.346 4.617 1.00 0.00 C ATOM 632 O LEU A 44 -1.720 -11.355 4.975 1.00 0.00 O ATOM 633 CB LEU A 44 -2.617 -14.312 4.417 1.00 0.00 C ATOM 634 CG LEU A 44 -3.366 -13.711 5.606 1.00 0.00 C ATOM 635 CD1 LEU A 44 -4.403 -12.704 5.133 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.022 -14.807 6.433 1.00 0.00 C ATOM 0 H LEU A 44 -0.493 -15.051 3.334 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.270 -12.819 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.350 -14.712 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.025 -15.154 4.775 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.646 -13.189 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.925 -12.288 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.908 -11.902 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.120 -13.200 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.551 -14.360 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.728 -15.358 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.257 -15.489 6.805 1.00 0.00 H new ATOM 648 N ASP A 45 0.152 -12.600 5.032 1.00 0.00 N ATOM 649 CA ASP A 45 0.850 -11.707 5.951 1.00 0.00 C ATOM 650 C ASP A 45 1.355 -10.466 5.223 1.00 0.00 C ATOM 651 O ASP A 45 1.181 -9.342 5.697 1.00 0.00 O ATOM 652 CB ASP A 45 2.019 -12.435 6.615 1.00 0.00 C ATOM 653 CG ASP A 45 1.607 -13.156 7.883 1.00 0.00 C ATOM 654 OD1 ASP A 45 1.020 -14.252 7.778 1.00 0.00 O ATOM 655 OD2 ASP A 45 1.871 -12.622 8.982 1.00 0.00 O ATOM 0 H ASP A 45 0.692 -13.417 4.747 1.00 0.00 H new ATOM 0 HA ASP A 45 0.144 -11.393 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.442 -13.154 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.805 -11.717 6.848 1.00 0.00 H new ATOM 660 N VAL A 46 1.982 -10.675 4.070 1.00 0.00 N ATOM 661 CA VAL A 46 2.512 -9.573 3.277 1.00 0.00 C ATOM 662 C VAL A 46 1.424 -8.553 2.955 1.00 0.00 C ATOM 663 O VAL A 46 1.628 -7.347 3.096 1.00 0.00 O ATOM 664 CB VAL A 46 3.135 -10.076 1.961 1.00 0.00 C ATOM 665 CG1 VAL A 46 3.293 -8.932 0.973 1.00 0.00 C ATOM 666 CG2 VAL A 46 4.471 -10.751 2.227 1.00 0.00 C ATOM 0 H VAL A 46 2.135 -11.598 3.664 1.00 0.00 H new ATOM 0 HA VAL A 46 3.287 -9.096 3.877 1.00 0.00 H new ATOM 0 HB VAL A 46 2.464 -10.813 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.735 -9.307 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.316 -8.499 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.942 -8.168 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.896 -11.100 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.153 -10.038 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.323 -11.600 2.895 1.00 0.00 H new ATOM 676 N VAL A 47 0.269 -9.047 2.522 1.00 0.00 N ATOM 677 CA VAL A 47 -0.853 -8.180 2.181 1.00 0.00 C ATOM 678 C VAL A 47 -1.411 -7.492 3.421 1.00 0.00 C ATOM 679 O VAL A 47 -1.802 -6.326 3.375 1.00 0.00 O ATOM 680 CB VAL A 47 -1.982 -8.969 1.491 1.00 0.00 C ATOM 681 CG1 VAL A 47 -3.130 -8.043 1.121 1.00 0.00 C ATOM 682 CG2 VAL A 47 -1.452 -9.691 0.261 1.00 0.00 C ATOM 0 H VAL A 47 0.085 -10.043 2.399 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.474 -7.426 1.491 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.359 -9.716 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.918 -8.617 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.525 -7.575 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.770 -7.272 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.263 -10.243 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.048 -8.963 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.665 -10.385 0.557 1.00 0.00 H new ATOM 692 N LYS A 48 -1.447 -8.222 4.530 1.00 0.00 N ATOM 693 CA LYS A 48 -1.957 -7.683 5.785 1.00 0.00 C ATOM 694 C LYS A 48 -1.166 -6.450 6.210 1.00 0.00 C ATOM 695 O LYS A 48 -1.740 -5.452 6.648 1.00 0.00 O ATOM 696 CB LYS A 48 -1.893 -8.746 6.884 1.00 0.00 C ATOM 697 CG LYS A 48 -3.115 -9.649 6.930 1.00 0.00 C ATOM 698 CD LYS A 48 -2.939 -10.775 7.936 1.00 0.00 C ATOM 699 CE LYS A 48 -4.275 -11.242 8.488 1.00 0.00 C ATOM 700 NZ LYS A 48 -4.109 -12.101 9.693 1.00 0.00 N ATOM 0 H LYS A 48 -1.129 -9.189 4.585 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.996 -7.391 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.004 -9.359 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.780 -8.252 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.994 -9.060 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.296 -10.069 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.428 -11.612 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.304 -10.437 8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.886 -10.376 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.812 -11.796 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.044 -12.399 10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.548 -12.941 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.619 -11.564 10.437 1.00 0.00 H new ATOM 714 N LYS A 49 0.154 -6.525 6.076 1.00 0.00 N ATOM 715 CA LYS A 49 1.025 -5.415 6.441 1.00 0.00 C ATOM 716 C LYS A 49 0.695 -4.172 5.621 1.00 0.00 C ATOM 717 O LYS A 49 0.245 -3.161 6.162 1.00 0.00 O ATOM 718 CB LYS A 49 2.492 -5.800 6.237 1.00 0.00 C ATOM 719 CG LYS A 49 3.128 -6.441 7.457 1.00 0.00 C ATOM 720 CD LYS A 49 2.844 -7.933 7.516 1.00 0.00 C ATOM 721 CE LYS A 49 3.299 -8.536 8.837 1.00 0.00 C ATOM 722 NZ LYS A 49 4.777 -8.709 8.889 1.00 0.00 N ATOM 0 H LYS A 49 0.644 -7.344 5.717 1.00 0.00 H new ATOM 0 HA LYS A 49 0.860 -5.188 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.564 -6.489 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.059 -4.909 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.205 -6.275 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.749 -5.962 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.776 -8.107 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.352 -8.434 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.980 -7.894 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.815 -9.502 8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.046 -9.122 9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.080 -9.342 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.239 -7.784 8.778 1.00 0.00 H new ATOM 736 N TRP A 50 0.923 -4.253 4.315 1.00 0.00 N ATOM 737 CA TRP A 50 0.649 -3.134 3.421 1.00 0.00 C ATOM 738 C TRP A 50 -0.635 -2.416 3.824 1.00 0.00 C ATOM 739 O TRP A 50 -0.657 -1.193 3.957 1.00 0.00 O ATOM 740 CB TRP A 50 0.541 -3.626 1.977 1.00 0.00 C ATOM 741 CG TRP A 50 0.141 -2.550 1.011 1.00 0.00 C ATOM 742 CD1 TRP A 50 0.970 -1.800 0.227 1.00 0.00 C ATOM 743 CD2 TRP A 50 -1.191 -2.103 0.731 1.00 0.00 C ATOM 744 NE1 TRP A 50 0.235 -0.915 -0.524 1.00 0.00 N ATOM 745 CE2 TRP A 50 -1.092 -1.082 -0.233 1.00 0.00 C ATOM 746 CE3 TRP A 50 -2.456 -2.468 1.200 1.00 0.00 C ATOM 747 CZ2 TRP A 50 -2.212 -0.422 -0.735 1.00 0.00 C ATOM 748 CZ3 TRP A 50 -3.566 -1.813 0.700 1.00 0.00 C ATOM 749 CH2 TRP A 50 -3.437 -0.799 -0.259 1.00 0.00 C ATOM 0 H TRP A 50 1.297 -5.081 3.852 1.00 0.00 H new ATOM 0 HA TRP A 50 1.476 -2.428 3.497 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.500 -4.042 1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.187 -4.436 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.046 -1.889 0.201 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.616 -0.243 -1.190 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.564 -3.248 1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -2.116 0.360 -1.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.549 -2.087 1.054 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -4.323 -0.305 -0.629 1.00 0.00 H new ATOM 760 N PHE A 51 -1.701 -3.185 4.017 1.00 0.00 N ATOM 761 CA PHE A 51 -2.989 -2.621 4.405 1.00 0.00 C ATOM 762 C PHE A 51 -2.850 -1.756 5.654 1.00 0.00 C ATOM 763 O PHE A 51 -3.181 -0.571 5.640 1.00 0.00 O ATOM 764 CB PHE A 51 -4.005 -3.738 4.655 1.00 0.00 C ATOM 765 CG PHE A 51 -4.780 -4.129 3.430 1.00 0.00 C ATOM 766 CD1 PHE A 51 -5.628 -3.224 2.812 1.00 0.00 C ATOM 767 CD2 PHE A 51 -4.661 -5.403 2.896 1.00 0.00 C ATOM 768 CE1 PHE A 51 -6.343 -3.581 1.685 1.00 0.00 C ATOM 769 CE2 PHE A 51 -5.373 -5.764 1.768 1.00 0.00 C ATOM 770 CZ PHE A 51 -6.216 -4.853 1.162 1.00 0.00 C ATOM 0 H PHE A 51 -1.699 -4.200 3.911 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.343 -1.993 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.483 -4.614 5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.702 -3.417 5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.731 -2.228 3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.005 -6.121 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.001 -2.866 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.270 -6.759 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.774 -5.135 0.281 1.00 0.00 H new ATOM 780 N GLU A 52 -2.359 -2.357 6.732 1.00 0.00 N ATOM 781 CA GLU A 52 -2.178 -1.641 7.989 1.00 0.00 C ATOM 782 C GLU A 52 -1.318 -0.397 7.789 1.00 0.00 C ATOM 783 O GLU A 52 -1.456 0.591 8.509 1.00 0.00 O ATOM 784 CB GLU A 52 -1.534 -2.557 9.034 1.00 0.00 C ATOM 785 CG GLU A 52 -2.379 -3.770 9.384 1.00 0.00 C ATOM 786 CD GLU A 52 -1.546 -4.941 9.865 1.00 0.00 C ATOM 787 OE1 GLU A 52 -0.746 -4.753 10.804 1.00 0.00 O ATOM 788 OE2 GLU A 52 -1.694 -6.047 9.303 1.00 0.00 O ATOM 0 H GLU A 52 -2.079 -3.338 6.761 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.160 -1.328 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.566 -2.894 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.345 -1.983 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.097 -3.497 10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.954 -4.073 8.509 1.00 0.00 H new ATOM 795 N LYS A 53 -0.428 -0.453 6.804 1.00 0.00 N ATOM 796 CA LYS A 53 0.455 0.667 6.504 1.00 0.00 C ATOM 797 C LYS A 53 -0.305 1.788 5.803 1.00 0.00 C ATOM 798 O LYS A 53 -0.128 2.964 6.119 1.00 0.00 O ATOM 799 CB LYS A 53 1.623 0.205 5.630 1.00 0.00 C ATOM 800 CG LYS A 53 2.811 -0.312 6.425 1.00 0.00 C ATOM 801 CD LYS A 53 2.620 -1.761 6.836 1.00 0.00 C ATOM 802 CE LYS A 53 3.918 -2.374 7.335 1.00 0.00 C ATOM 803 NZ LYS A 53 4.733 -2.935 6.221 1.00 0.00 N ATOM 0 H LYS A 53 -0.299 -1.264 6.199 1.00 0.00 H new ATOM 0 HA LYS A 53 0.845 1.050 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.275 -0.581 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.949 1.036 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.718 -0.219 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.951 0.304 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.863 -1.822 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.248 -2.335 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.498 -1.617 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.694 -3.162 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.132 -3.851 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.131 -3.069 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.505 -2.278 5.991 1.00 0.00 H new ATOM 817 N MET A 54 -1.156 1.415 4.852 1.00 0.00 N ATOM 818 CA MET A 54 -1.945 2.390 4.108 1.00 0.00 C ATOM 819 C MET A 54 -3.041 2.985 4.986 1.00 0.00 C ATOM 820 O MET A 54 -3.345 4.174 4.893 1.00 0.00 O ATOM 821 CB MET A 54 -2.565 1.739 2.871 1.00 0.00 C ATOM 822 CG MET A 54 -2.802 2.709 1.726 1.00 0.00 C ATOM 823 SD MET A 54 -4.394 3.546 1.841 1.00 0.00 S ATOM 824 CE MET A 54 -5.283 2.770 0.493 1.00 0.00 C ATOM 0 H MET A 54 -1.317 0.445 4.579 1.00 0.00 H new ATOM 0 HA MET A 54 -1.280 3.194 3.792 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.912 0.937 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.514 1.280 3.149 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.005 3.453 1.715 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.748 2.169 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.347 2.743 0.727 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.127 3.341 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.917 1.753 0.353 1.00 0.00 H new ATOM 834 N GLN A 55 -3.630 2.151 5.838 1.00 0.00 N ATOM 835 CA GLN A 55 -4.693 2.596 6.732 1.00 0.00 C ATOM 836 C GLN A 55 -4.169 3.621 7.731 1.00 0.00 C ATOM 837 O GLN A 55 -4.921 4.460 8.227 1.00 0.00 O ATOM 838 CB GLN A 55 -5.297 1.403 7.475 1.00 0.00 C ATOM 839 CG GLN A 55 -6.234 0.565 6.621 1.00 0.00 C ATOM 840 CD GLN A 55 -6.469 -0.818 7.197 1.00 0.00 C ATOM 841 OE1 GLN A 55 -6.671 -0.975 8.402 1.00 0.00 O ATOM 842 NE2 GLN A 55 -6.444 -1.830 6.338 1.00 0.00 N ATOM 0 H GLN A 55 -3.389 1.164 5.928 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.468 3.068 6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.490 0.769 7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.841 1.766 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.189 1.081 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.818 0.471 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.273 -1.654 5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.596 -2.783 6.668 1.00 0.00 H new ATOM 851 N ALA A 56 -2.875 3.547 8.024 1.00 0.00 N ATOM 852 CA ALA A 56 -2.250 4.470 8.964 1.00 0.00 C ATOM 853 C ALA A 56 -1.884 5.784 8.282 1.00 0.00 C ATOM 854 O ALA A 56 -1.895 6.843 8.908 1.00 0.00 O ATOM 855 CB ALA A 56 -1.016 3.835 9.586 1.00 0.00 C ATOM 0 H ALA A 56 -2.239 2.857 7.624 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.970 4.688 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.560 4.535 10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.302 2.927 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.300 3.587 8.802 1.00 0.00 H new ATOM 861 N GLY A 57 -1.562 5.707 6.995 1.00 0.00 N ATOM 862 CA GLY A 57 -1.197 6.898 6.249 1.00 0.00 C ATOM 863 C GLY A 57 0.289 6.965 5.955 1.00 0.00 C ATOM 864 O GLY A 57 0.826 8.038 5.685 1.00 0.00 O ATOM 0 H GLY A 57 -1.547 4.842 6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.751 6.919 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.493 7.782 6.814 1.00 0.00 H new ATOM 868 N GLN A 58 0.953 5.815 6.008 1.00 0.00 N ATOM 869 CA GLN A 58 2.386 5.748 5.747 1.00 0.00 C ATOM 870 C GLN A 58 2.662 5.615 4.253 1.00 0.00 C ATOM 871 O GLN A 58 3.588 6.233 3.726 1.00 0.00 O ATOM 872 CB GLN A 58 3.010 4.570 6.499 1.00 0.00 C ATOM 873 CG GLN A 58 2.750 4.601 7.997 1.00 0.00 C ATOM 874 CD GLN A 58 3.373 5.806 8.672 1.00 0.00 C ATOM 875 OE1 GLN A 58 4.586 5.864 8.873 1.00 0.00 O ATOM 876 NE2 GLN A 58 2.542 6.779 9.029 1.00 0.00 N ATOM 0 H GLN A 58 0.522 4.917 6.229 1.00 0.00 H new ATOM 0 HA GLN A 58 2.837 6.675 6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.618 3.639 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.086 4.567 6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.675 4.605 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.145 3.691 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.543 6.690 8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.903 7.615 9.489 1.00 0.00 H new ATOM 885 N ILE A 59 1.852 4.807 3.576 1.00 0.00 N ATOM 886 CA ILE A 59 2.009 4.594 2.144 1.00 0.00 C ATOM 887 C ILE A 59 1.484 5.785 1.350 1.00 0.00 C ATOM 888 O ILE A 59 0.273 5.967 1.210 1.00 0.00 O ATOM 889 CB ILE A 59 1.277 3.320 1.680 1.00 0.00 C ATOM 890 CG1 ILE A 59 1.763 2.109 2.478 1.00 0.00 C ATOM 891 CG2 ILE A 59 1.489 3.101 0.189 1.00 0.00 C ATOM 892 CD1 ILE A 59 0.893 0.883 2.305 1.00 0.00 C ATOM 0 H ILE A 59 1.081 4.290 3.997 1.00 0.00 H new ATOM 0 HA ILE A 59 3.077 4.478 1.958 1.00 0.00 H new ATOM 0 HB ILE A 59 0.209 3.445 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.781 1.868 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.801 2.372 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.966 2.197 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.099 3.956 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.554 2.993 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.297 0.063 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.121 1.107 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.875 0.595 1.254 1.00 0.00 H new ATOM 904 N SER A 60 2.401 6.595 0.832 1.00 0.00 N ATOM 905 CA SER A 60 2.031 7.772 0.054 1.00 0.00 C ATOM 906 C SER A 60 1.237 7.374 -1.187 1.00 0.00 C ATOM 907 O SER A 60 1.540 6.375 -1.838 1.00 0.00 O ATOM 908 CB SER A 60 3.282 8.553 -0.357 1.00 0.00 C ATOM 909 OG SER A 60 3.735 9.380 0.702 1.00 0.00 O ATOM 0 H SER A 60 3.406 6.458 0.937 1.00 0.00 H new ATOM 0 HA SER A 60 1.404 8.408 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.071 7.858 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.062 9.164 -1.232 1.00 0.00 H new ATOM 0 HG SER A 60 4.536 9.868 0.417 1.00 0.00 H new ATOM 915 N VAL A 61 0.217 8.164 -1.509 1.00 0.00 N ATOM 916 CA VAL A 61 -0.620 7.897 -2.670 1.00 0.00 C ATOM 917 C VAL A 61 -0.346 8.897 -3.788 1.00 0.00 C ATOM 918 O VAL A 61 -0.734 10.062 -3.701 1.00 0.00 O ATOM 919 CB VAL A 61 -2.117 7.948 -2.308 1.00 0.00 C ATOM 920 CG1 VAL A 61 -2.974 7.732 -3.546 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.440 6.916 -1.238 1.00 0.00 C ATOM 0 H VAL A 61 -0.049 8.995 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.370 6.893 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.344 8.936 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.028 7.771 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.761 8.512 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.748 6.758 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.501 6.965 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.199 5.920 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.852 7.123 -0.344 1.00 0.00 H new ATOM 931 N GLN A 62 0.326 8.433 -4.838 1.00 0.00 N ATOM 932 CA GLN A 62 0.653 9.288 -5.974 1.00 0.00 C ATOM 933 C GLN A 62 1.417 10.527 -5.519 1.00 0.00 C ATOM 934 O GLN A 62 1.159 11.634 -5.990 1.00 0.00 O ATOM 935 CB GLN A 62 -0.621 9.702 -6.710 1.00 0.00 C ATOM 936 CG GLN A 62 -0.375 10.178 -8.133 1.00 0.00 C ATOM 937 CD GLN A 62 -0.238 9.032 -9.116 1.00 0.00 C ATOM 938 OE1 GLN A 62 -0.687 7.916 -8.852 1.00 0.00 O ATOM 939 NE2 GLN A 62 0.385 9.302 -10.257 1.00 0.00 N ATOM 0 H GLN A 62 0.654 7.471 -4.925 1.00 0.00 H new ATOM 0 HA GLN A 62 1.288 8.720 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.309 8.857 -6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.112 10.497 -6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.198 10.822 -8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.531 10.784 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.741 10.241 -10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.507 8.570 -10.957 1.00 0.00 H new ATOM 948 N SER A 63 2.360 10.331 -4.603 1.00 0.00 N ATOM 949 CA SER A 63 3.159 11.434 -4.081 1.00 0.00 C ATOM 950 C SER A 63 3.539 12.404 -5.196 1.00 0.00 C ATOM 951 O SER A 63 4.074 12.001 -6.230 1.00 0.00 O ATOM 952 CB SER A 63 4.423 10.900 -3.403 1.00 0.00 C ATOM 953 OG SER A 63 5.005 11.881 -2.562 1.00 0.00 O ATOM 0 H SER A 63 2.589 9.419 -4.207 1.00 0.00 H new ATOM 0 HA SER A 63 2.558 11.969 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.178 10.014 -2.818 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.144 10.593 -4.161 1.00 0.00 H new ATOM 0 HG SER A 63 5.810 11.514 -2.140 1.00 0.00 H new ATOM 959 N SER A 64 3.257 13.685 -4.979 1.00 0.00 N ATOM 960 CA SER A 64 3.564 14.713 -5.966 1.00 0.00 C ATOM 961 C SER A 64 4.593 15.698 -5.420 1.00 0.00 C ATOM 962 O SER A 64 4.588 16.024 -4.235 1.00 0.00 O ATOM 963 CB SER A 64 2.291 15.459 -6.370 1.00 0.00 C ATOM 964 OG SER A 64 1.373 14.591 -7.012 1.00 0.00 O ATOM 0 H SER A 64 2.816 14.035 -4.128 1.00 0.00 H new ATOM 0 HA SER A 64 3.984 14.225 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.826 15.896 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.545 16.283 -7.037 1.00 0.00 H new ATOM 0 HG SER A 64 1.390 13.715 -6.573 1.00 0.00 H new TER 970 SER A 64