USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 749 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 Single : A 1 VAL N :NH3+ 177:sc= -0.822 (180deg=-0.927) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= -0.274 (180deg=-0.936) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -6.28! C(o=-6.3!,f=-4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.129 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.437 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -124:sc= -0.695 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -77:sc= -0.0799 USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= -1.5 (180deg=-4.38!) USER MOD Single : A 46 LYS NZ :NH3+ 133:sc= 1.14 (180deg=-0.176) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 148:sc= -8.45! (180deg=-9.17!) USER MOD Single : A 66 LYS NZ :NH3+ -135:sc= -2.32! (180deg=-3.4) USER MOD Single : A 67 SER OG : rot -53:sc= 0.74 USER MOD Single : A 68 ASN : amide:sc= -1.95 K(o=-1.9,f=-5.1!) USER MOD Single : A 69 THR OG1 : rot 16:sc= 0.129 USER MOD Single : A 71 ASN : amide:sc=-0.00625 X(o=-0.0063,f=-0.17) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 73 MET CE :methyl -147:sc= -2.31! (180deg=-4.19!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0797 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.986 USER MOD Single : A 81 THR OG1 : rot -35:sc= 0.0829! USER MOD Single : A 82 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.29) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.52) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.155! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.551 -0.608 -25.813 1.00 0.00 N ATOM 2 CA VAL A 1 -6.702 -0.754 -24.940 1.00 0.00 C ATOM 3 C VAL A 1 -6.500 0.101 -23.688 1.00 0.00 C ATOM 4 O VAL A 1 -7.451 0.681 -23.167 1.00 0.00 O ATOM 5 CB VAL A 1 -6.935 -2.232 -24.623 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.622 -2.928 -24.258 1.00 0.00 C ATOM 7 CG2 VAL A 1 -7.971 -2.399 -23.509 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.663 -1.227 -26.641 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.477 0.381 -26.127 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.688 -0.873 -25.297 1.00 0.00 H new ATOM 0 HA VAL A 1 -7.604 -0.396 -25.436 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.329 -2.708 -25.521 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.816 -3.978 -24.037 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.927 -2.855 -25.095 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.187 -2.447 -23.382 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -8.117 -3.460 -23.304 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -7.618 -1.900 -22.606 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -8.917 -1.956 -23.822 1.00 0.00 H new ATOM 17 N GLY A 2 -5.253 0.153 -23.241 1.00 0.00 N ATOM 18 CA GLY A 2 -4.914 0.928 -22.060 1.00 0.00 C ATOM 19 C GLY A 2 -3.736 1.865 -22.338 1.00 0.00 C ATOM 20 O GLY A 2 -2.788 1.489 -23.026 1.00 0.00 O ATOM 0 H GLY A 2 -4.466 -0.329 -23.676 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.779 1.510 -21.742 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.663 0.256 -21.239 1.00 0.00 H new ATOM 24 N SER A 3 -3.836 3.068 -21.791 1.00 0.00 N ATOM 25 CA SER A 3 -2.792 4.061 -21.972 1.00 0.00 C ATOM 26 C SER A 3 -2.862 5.103 -20.855 1.00 0.00 C ATOM 27 O SER A 3 -1.942 5.213 -20.044 1.00 0.00 O ATOM 28 CB SER A 3 -2.907 4.739 -23.339 1.00 0.00 C ATOM 29 OG SER A 3 -4.205 4.580 -23.905 1.00 0.00 O ATOM 0 H SER A 3 -4.624 3.377 -21.222 1.00 0.00 H new ATOM 0 HA SER A 3 -1.828 3.555 -21.928 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.683 5.801 -23.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.162 4.320 -24.016 1.00 0.00 H new ATOM 0 HG SER A 3 -4.239 5.028 -24.776 1.00 0.00 H new ATOM 35 N GLU A 4 -3.961 5.843 -20.847 1.00 0.00 N ATOM 36 CA GLU A 4 -4.163 6.872 -19.842 1.00 0.00 C ATOM 37 C GLU A 4 -3.512 6.460 -18.520 1.00 0.00 C ATOM 38 O GLU A 4 -4.035 5.603 -17.809 1.00 0.00 O ATOM 39 CB GLU A 4 -5.652 7.168 -19.651 1.00 0.00 C ATOM 40 CG GLU A 4 -6.462 5.873 -19.568 1.00 0.00 C ATOM 41 CD GLU A 4 -7.947 6.138 -19.828 1.00 0.00 C ATOM 42 OE1 GLU A 4 -8.601 6.658 -18.899 1.00 0.00 O ATOM 43 OE2 GLU A 4 -8.392 5.812 -20.950 1.00 0.00 O ATOM 0 H GLU A 4 -4.721 5.750 -21.521 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.686 7.788 -20.189 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.797 7.751 -18.741 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.015 7.776 -20.480 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.084 5.156 -20.297 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.336 5.423 -18.583 1.00 0.00 H new ATOM 50 N VAL A 5 -2.383 7.088 -18.231 1.00 0.00 N ATOM 51 CA VAL A 5 -1.656 6.796 -17.008 1.00 0.00 C ATOM 52 C VAL A 5 -1.002 8.079 -16.490 1.00 0.00 C ATOM 53 O VAL A 5 -0.796 9.025 -17.248 1.00 0.00 O ATOM 54 CB VAL A 5 -0.650 5.670 -17.252 1.00 0.00 C ATOM 55 CG1 VAL A 5 0.631 6.207 -17.894 1.00 0.00 C ATOM 56 CG2 VAL A 5 -0.340 4.920 -15.955 1.00 0.00 C ATOM 0 H VAL A 5 -1.953 7.799 -18.823 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.338 6.442 -16.235 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.102 4.963 -17.948 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.329 5.385 -18.056 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.391 6.674 -18.849 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.087 6.945 -17.234 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.378 4.125 -16.157 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.081 5.612 -15.226 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.258 4.488 -15.556 1.00 0.00 H new ATOM 66 N SER A 6 -0.694 8.070 -15.201 1.00 0.00 N ATOM 67 CA SER A 6 -0.068 9.221 -14.573 1.00 0.00 C ATOM 68 C SER A 6 -1.136 10.229 -14.146 1.00 0.00 C ATOM 69 O SER A 6 -0.857 11.145 -13.373 1.00 0.00 O ATOM 70 CB SER A 6 0.941 9.882 -15.515 1.00 0.00 C ATOM 71 OG SER A 6 2.148 10.230 -14.844 1.00 0.00 O ATOM 0 H SER A 6 -0.866 7.284 -14.575 1.00 0.00 H new ATOM 0 HA SER A 6 0.472 8.878 -13.690 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.166 9.204 -16.338 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.498 10.777 -15.951 1.00 0.00 H new ATOM 0 HG SER A 6 2.767 10.648 -15.479 1.00 0.00 H new ATOM 77 N ASP A 7 -2.337 10.028 -14.670 1.00 0.00 N ATOM 78 CA ASP A 7 -3.448 10.909 -14.352 1.00 0.00 C ATOM 79 C ASP A 7 -4.369 10.219 -13.344 1.00 0.00 C ATOM 80 O ASP A 7 -5.001 10.879 -12.521 1.00 0.00 O ATOM 81 CB ASP A 7 -4.271 11.230 -15.601 1.00 0.00 C ATOM 82 CG ASP A 7 -4.392 12.719 -15.931 1.00 0.00 C ATOM 83 OD1 ASP A 7 -3.483 13.468 -15.514 1.00 0.00 O ATOM 84 OD2 ASP A 7 -5.392 13.074 -16.594 1.00 0.00 O ATOM 0 H ASP A 7 -2.564 9.269 -15.312 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.039 11.832 -13.942 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.823 10.720 -16.454 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.272 10.819 -15.473 1.00 0.00 H new ATOM 89 N LYS A 8 -4.417 8.899 -13.442 1.00 0.00 N ATOM 90 CA LYS A 8 -5.250 8.111 -12.549 1.00 0.00 C ATOM 91 C LYS A 8 -4.742 8.267 -11.115 1.00 0.00 C ATOM 92 O LYS A 8 -3.639 8.766 -10.894 1.00 0.00 O ATOM 93 CB LYS A 8 -5.318 6.658 -13.023 1.00 0.00 C ATOM 94 CG LYS A 8 -3.982 5.945 -12.803 1.00 0.00 C ATOM 95 CD LYS A 8 -3.383 5.483 -14.132 1.00 0.00 C ATOM 96 CE LYS A 8 -3.182 3.966 -14.144 1.00 0.00 C ATOM 97 NZ LYS A 8 -3.486 3.413 -15.484 1.00 0.00 N ATOM 0 H LYS A 8 -3.892 8.355 -14.127 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.277 8.476 -12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.107 6.133 -12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.580 6.629 -14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.286 6.616 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.127 5.086 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.040 5.773 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.428 5.981 -14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.154 3.727 -13.870 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.827 3.502 -13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.398 2.914 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.537 4.188 -16.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.737 2.748 -15.763 1.00 0.00 H new ATOM 111 N ARG A 9 -5.570 7.830 -10.177 1.00 0.00 N ATOM 112 CA ARG A 9 -5.219 7.915 -8.769 1.00 0.00 C ATOM 113 C ARG A 9 -5.387 6.552 -8.097 1.00 0.00 C ATOM 114 O ARG A 9 -4.413 5.958 -7.638 1.00 0.00 O ATOM 115 CB ARG A 9 -6.089 8.945 -8.045 1.00 0.00 C ATOM 116 CG ARG A 9 -5.386 9.473 -6.793 1.00 0.00 C ATOM 117 CD ARG A 9 -6.076 8.970 -5.524 1.00 0.00 C ATOM 118 NE ARG A 9 -5.814 9.900 -4.403 1.00 0.00 N ATOM 119 CZ ARG A 9 -5.970 9.581 -3.111 1.00 0.00 C ATOM 120 NH1 ARG A 9 -6.386 8.355 -2.768 1.00 0.00 N ATOM 121 NH2 ARG A 9 -5.708 10.490 -2.161 1.00 0.00 N ATOM 0 H ARG A 9 -6.483 7.416 -10.364 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.177 8.229 -8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.314 9.773 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.041 8.492 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.344 9.154 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.386 10.563 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.149 8.885 -5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.713 7.973 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.495 10.842 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.584 7.663 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.504 8.113 -1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.390 11.423 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.826 10.248 -1.177 1.00 0.00 H new ATOM 135 N THR A 10 -6.631 6.097 -8.060 1.00 0.00 N ATOM 136 CA THR A 10 -6.939 4.814 -7.451 1.00 0.00 C ATOM 137 C THR A 10 -7.224 3.766 -8.529 1.00 0.00 C ATOM 138 O THR A 10 -6.381 2.916 -8.811 1.00 0.00 O ATOM 139 CB THR A 10 -8.105 5.019 -6.481 1.00 0.00 C ATOM 140 OG1 THR A 10 -7.946 6.360 -6.027 1.00 0.00 O ATOM 141 CG2 THR A 10 -7.965 4.178 -5.211 1.00 0.00 C ATOM 0 H THR A 10 -7.436 6.593 -8.441 1.00 0.00 H new ATOM 0 HA THR A 10 -6.089 4.431 -6.886 1.00 0.00 H new ATOM 0 HB THR A 10 -9.041 4.769 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.662 6.578 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.818 4.361 -4.558 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.931 3.121 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.046 4.452 -4.693 1.00 0.00 H new ATOM 149 N CYS A 11 -8.415 3.861 -9.102 1.00 0.00 N ATOM 150 CA CYS A 11 -8.821 2.933 -10.143 1.00 0.00 C ATOM 151 C CYS A 11 -10.227 3.317 -10.607 1.00 0.00 C ATOM 152 O CYS A 11 -10.753 4.357 -10.213 1.00 0.00 O ATOM 153 CB CYS A 11 -8.755 1.482 -9.663 1.00 0.00 C ATOM 154 SG CYS A 11 -10.207 0.925 -8.698 1.00 0.00 S ATOM 0 H CYS A 11 -9.112 4.567 -8.865 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.131 3.001 -10.984 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.642 0.832 -10.531 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.861 1.357 -9.052 1.00 0.00 H new ATOM 159 N VAL A 12 -10.797 2.456 -11.438 1.00 0.00 N ATOM 160 CA VAL A 12 -12.132 2.693 -11.961 1.00 0.00 C ATOM 161 C VAL A 12 -13.166 2.250 -10.925 1.00 0.00 C ATOM 162 O VAL A 12 -13.568 3.036 -10.068 1.00 0.00 O ATOM 163 CB VAL A 12 -12.298 1.989 -13.309 1.00 0.00 C ATOM 164 CG1 VAL A 12 -11.572 0.642 -13.318 1.00 0.00 C ATOM 165 CG2 VAL A 12 -13.778 1.817 -13.659 1.00 0.00 C ATOM 0 H VAL A 12 -10.359 1.594 -11.762 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.288 3.756 -12.143 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.844 2.619 -14.074 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.706 0.163 -14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.509 0.800 -13.135 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.983 0.002 -12.537 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.868 1.314 -14.622 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.267 1.219 -12.890 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.255 2.796 -13.715 1.00 0.00 H new ATOM 175 N SER A 13 -13.568 0.992 -11.035 1.00 0.00 N ATOM 176 CA SER A 13 -14.547 0.435 -10.118 1.00 0.00 C ATOM 177 C SER A 13 -13.861 -0.505 -9.126 1.00 0.00 C ATOM 178 O SER A 13 -12.642 -0.457 -8.962 1.00 0.00 O ATOM 179 CB SER A 13 -15.651 -0.307 -10.875 1.00 0.00 C ATOM 180 OG SER A 13 -16.951 0.119 -10.476 1.00 0.00 O ATOM 0 H SER A 13 -13.233 0.342 -11.746 1.00 0.00 H new ATOM 0 HA SER A 13 -15.008 1.257 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.529 -0.144 -11.946 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.552 -1.379 -10.702 1.00 0.00 H new ATOM 0 HG SER A 13 -17.628 -0.377 -10.983 1.00 0.00 H new ATOM 186 N LEU A 14 -14.671 -1.339 -8.491 1.00 0.00 N ATOM 187 CA LEU A 14 -14.157 -2.288 -7.519 1.00 0.00 C ATOM 188 C LEU A 14 -14.162 -3.690 -8.130 1.00 0.00 C ATOM 189 O LEU A 14 -15.002 -4.000 -8.974 1.00 0.00 O ATOM 190 CB LEU A 14 -14.936 -2.187 -6.206 1.00 0.00 C ATOM 191 CG LEU A 14 -14.628 -0.966 -5.336 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.613 -0.862 -4.171 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.175 -0.986 -4.859 1.00 0.00 C ATOM 0 H LEU A 14 -15.681 -1.377 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.123 -2.052 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.001 -2.184 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.740 -3.085 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.754 -0.071 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.372 0.014 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.627 -0.768 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.543 -1.758 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.982 -0.108 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.997 -1.887 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.509 -0.977 -5.722 1.00 0.00 H new ATOM 205 N THR A 15 -13.216 -4.502 -7.681 1.00 0.00 N ATOM 206 CA THR A 15 -13.101 -5.864 -8.174 1.00 0.00 C ATOM 207 C THR A 15 -13.432 -5.921 -9.666 1.00 0.00 C ATOM 208 O THR A 15 -13.027 -5.045 -10.430 1.00 0.00 O ATOM 209 CB THR A 15 -14.004 -6.754 -7.316 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.974 -6.142 -6.029 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.405 -8.142 -7.083 1.00 0.00 C ATOM 0 H THR A 15 -12.522 -4.242 -6.980 1.00 0.00 H new ATOM 0 HA THR A 15 -12.079 -6.232 -8.086 1.00 0.00 H new ATOM 0 HB THR A 15 -14.977 -6.854 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.535 -6.654 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.085 -8.733 -6.469 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.256 -8.639 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.447 -8.044 -6.572 1.00 0.00 H new ATOM 219 N THR A 16 -14.166 -6.959 -10.038 1.00 0.00 N ATOM 220 CA THR A 16 -14.555 -7.142 -11.425 1.00 0.00 C ATOM 221 C THR A 16 -13.436 -7.833 -12.207 1.00 0.00 C ATOM 222 O THR A 16 -13.623 -8.207 -13.364 1.00 0.00 O ATOM 223 CB THR A 16 -14.940 -5.774 -11.992 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.010 -6.058 -12.889 1.00 0.00 O ATOM 225 CG2 THR A 16 -13.848 -5.186 -12.890 1.00 0.00 C ATOM 0 H THR A 16 -14.502 -7.682 -9.402 1.00 0.00 H new ATOM 0 HA THR A 16 -15.420 -7.800 -11.510 1.00 0.00 H new ATOM 0 HB THR A 16 -15.147 -5.086 -11.172 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.322 -5.225 -13.300 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.170 -4.215 -13.267 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.930 -5.065 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.665 -5.858 -13.728 1.00 0.00 H new ATOM 233 N GLN A 17 -12.298 -7.980 -11.545 1.00 0.00 N ATOM 234 CA GLN A 17 -11.150 -8.618 -12.164 1.00 0.00 C ATOM 235 C GLN A 17 -10.401 -9.472 -11.138 1.00 0.00 C ATOM 236 O GLN A 17 -9.406 -9.031 -10.565 1.00 0.00 O ATOM 237 CB GLN A 17 -10.220 -7.580 -12.795 1.00 0.00 C ATOM 238 CG GLN A 17 -9.857 -6.485 -11.790 1.00 0.00 C ATOM 239 CD GLN A 17 -8.510 -5.847 -12.136 1.00 0.00 C ATOM 240 OE1 GLN A 17 -8.401 -4.997 -13.003 1.00 0.00 O ATOM 241 NE2 GLN A 17 -7.493 -6.304 -11.410 1.00 0.00 N ATOM 0 H GLN A 17 -12.147 -7.668 -10.586 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.507 -9.270 -12.961 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.312 -8.068 -13.150 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.703 -7.135 -13.665 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.634 -5.721 -11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.816 -6.907 -10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.654 -7.017 -10.699 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.552 -5.941 -11.564 1.00 0.00 H new ATOM 250 N ARG A 18 -10.908 -10.680 -10.940 1.00 0.00 N ATOM 251 CA ARG A 18 -10.300 -11.601 -9.994 1.00 0.00 C ATOM 252 C ARG A 18 -8.943 -12.078 -10.515 1.00 0.00 C ATOM 253 O ARG A 18 -8.734 -13.274 -10.709 1.00 0.00 O ATOM 254 CB ARG A 18 -11.200 -12.814 -9.750 1.00 0.00 C ATOM 255 CG ARG A 18 -11.373 -13.077 -8.253 1.00 0.00 C ATOM 256 CD ARG A 18 -11.226 -14.567 -7.937 1.00 0.00 C ATOM 257 NE ARG A 18 -12.439 -15.059 -7.245 1.00 0.00 N ATOM 258 CZ ARG A 18 -12.813 -16.345 -7.207 1.00 0.00 C ATOM 259 NH1 ARG A 18 -12.072 -17.276 -7.824 1.00 0.00 N ATOM 260 NH2 ARG A 18 -13.928 -16.700 -6.555 1.00 0.00 N ATOM 0 H ARG A 18 -11.733 -11.042 -11.418 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.165 -11.068 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.175 -12.646 -10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.769 -13.693 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.632 -12.508 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.354 -12.728 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.069 -15.129 -8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.349 -14.730 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.027 -14.376 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.224 -17.005 -8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.356 -18.255 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.493 -15.991 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.212 -17.679 -6.526 1.00 0.00 H new ATOM 274 N LEU A 19 -8.056 -11.117 -10.727 1.00 0.00 N ATOM 275 CA LEU A 19 -6.725 -11.424 -11.222 1.00 0.00 C ATOM 276 C LEU A 19 -5.989 -12.285 -10.193 1.00 0.00 C ATOM 277 O LEU A 19 -6.262 -12.198 -8.996 1.00 0.00 O ATOM 278 CB LEU A 19 -5.981 -10.140 -11.592 1.00 0.00 C ATOM 279 CG LEU A 19 -5.192 -9.472 -10.465 1.00 0.00 C ATOM 280 CD1 LEU A 19 -4.130 -8.524 -11.026 1.00 0.00 C ATOM 281 CD2 LEU A 19 -6.129 -8.765 -9.482 1.00 0.00 C ATOM 0 H LEU A 19 -8.233 -10.126 -10.565 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.786 -12.006 -12.142 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.292 -10.365 -12.407 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.706 -9.422 -11.976 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.669 -10.249 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.584 -8.062 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.437 -9.085 -11.653 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.612 -7.749 -11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.542 -8.299 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.700 -8.000 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.814 -9.492 -9.045 1.00 0.00 H new ATOM 293 N PRO A 20 -5.045 -13.116 -10.709 1.00 0.00 N ATOM 294 CA PRO A 20 -4.268 -13.992 -9.848 1.00 0.00 C ATOM 295 C PRO A 20 -3.204 -13.204 -9.082 1.00 0.00 C ATOM 296 O PRO A 20 -2.528 -12.349 -9.652 1.00 0.00 O ATOM 297 CB PRO A 20 -3.676 -15.037 -10.780 1.00 0.00 C ATOM 298 CG PRO A 20 -3.761 -14.444 -12.178 1.00 0.00 C ATOM 299 CD PRO A 20 -4.694 -13.245 -12.120 1.00 0.00 C ATOM 0 HA PRO A 20 -4.873 -14.465 -9.074 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.643 -15.259 -10.512 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.230 -15.974 -10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.773 -14.142 -12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.135 -15.185 -12.885 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.205 -12.344 -12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.580 -13.402 -12.736 1.00 0.00 H new ATOM 307 N VAL A 21 -3.087 -13.520 -7.801 1.00 0.00 N ATOM 308 CA VAL A 21 -2.117 -12.852 -6.950 1.00 0.00 C ATOM 309 C VAL A 21 -0.739 -12.910 -7.613 1.00 0.00 C ATOM 310 O VAL A 21 0.040 -11.964 -7.515 1.00 0.00 O ATOM 311 CB VAL A 21 -2.132 -13.472 -5.551 1.00 0.00 C ATOM 312 CG1 VAL A 21 -1.064 -14.559 -5.421 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.958 -12.399 -4.474 1.00 0.00 C ATOM 0 H VAL A 21 -3.648 -14.230 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.377 -11.800 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.105 -13.940 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.097 -14.983 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.253 -15.344 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.080 -14.126 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.972 -12.866 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.006 -11.888 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.772 -11.677 -4.545 1.00 0.00 H new ATOM 323 N SER A 22 -0.481 -14.029 -8.275 1.00 0.00 N ATOM 324 CA SER A 22 0.788 -14.221 -8.954 1.00 0.00 C ATOM 325 C SER A 22 0.985 -13.133 -10.012 1.00 0.00 C ATOM 326 O SER A 22 2.116 -12.819 -10.379 1.00 0.00 O ATOM 327 CB SER A 22 0.864 -15.607 -9.598 1.00 0.00 C ATOM 328 OG SER A 22 -0.317 -16.370 -9.363 1.00 0.00 O ATOM 0 H SER A 22 -1.130 -14.812 -8.355 1.00 0.00 H new ATOM 0 HA SER A 22 1.586 -14.149 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.019 -15.500 -10.672 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.727 -16.143 -9.203 1.00 0.00 H new ATOM 0 HG SER A 22 -0.230 -17.247 -9.791 1.00 0.00 H new ATOM 334 N ARG A 23 -0.131 -12.590 -10.472 1.00 0.00 N ATOM 335 CA ARG A 23 -0.096 -11.545 -11.480 1.00 0.00 C ATOM 336 C ARG A 23 0.014 -10.170 -10.816 1.00 0.00 C ATOM 337 O ARG A 23 0.399 -9.195 -11.461 1.00 0.00 O ATOM 338 CB ARG A 23 -1.349 -11.582 -12.358 1.00 0.00 C ATOM 339 CG ARG A 23 -0.984 -11.812 -13.825 1.00 0.00 C ATOM 340 CD ARG A 23 -0.590 -13.269 -14.070 1.00 0.00 C ATOM 341 NE ARG A 23 -1.202 -13.755 -15.327 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.950 -14.954 -15.871 1.00 0.00 C ATOM 343 NH1 ARG A 23 -0.099 -15.796 -15.271 1.00 0.00 N ATOM 344 NH2 ARG A 23 -1.552 -15.310 -17.014 1.00 0.00 N ATOM 0 H ARG A 23 -1.067 -12.854 -10.165 1.00 0.00 H new ATOM 0 HA ARG A 23 0.778 -11.720 -12.108 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.013 -12.376 -12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.895 -10.644 -12.258 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.830 -11.549 -14.460 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.159 -11.157 -14.105 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.495 -13.356 -14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.916 -13.888 -13.234 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.856 -13.139 -15.809 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.357 -15.525 -14.400 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.093 -16.708 -15.685 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.201 -14.669 -17.470 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.361 -16.222 -17.429 1.00 0.00 H new ATOM 358 N ILE A 24 -0.331 -10.138 -9.538 1.00 0.00 N ATOM 359 CA ILE A 24 -0.275 -8.899 -8.780 1.00 0.00 C ATOM 360 C ILE A 24 1.128 -8.726 -8.196 1.00 0.00 C ATOM 361 O ILE A 24 1.800 -9.708 -7.886 1.00 0.00 O ATOM 362 CB ILE A 24 -1.388 -8.864 -7.731 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.731 -9.272 -8.340 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.459 -7.494 -7.052 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.680 -9.808 -7.266 1.00 0.00 C ATOM 0 H ILE A 24 -0.650 -10.949 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.455 -8.044 -9.432 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.151 -9.595 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.185 -8.414 -8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.572 -10.034 -9.103 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.258 -7.496 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.509 -7.282 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.660 -6.727 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.627 -10.091 -7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.234 -10.680 -6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.856 -9.035 -6.518 1.00 0.00 H new ATOM 377 N LYS A 25 1.527 -7.470 -8.061 1.00 0.00 N ATOM 378 CA LYS A 25 2.838 -7.155 -7.519 1.00 0.00 C ATOM 379 C LYS A 25 2.685 -6.662 -6.079 1.00 0.00 C ATOM 380 O LYS A 25 2.973 -7.395 -5.134 1.00 0.00 O ATOM 381 CB LYS A 25 3.572 -6.170 -8.431 1.00 0.00 C ATOM 382 CG LYS A 25 5.056 -6.524 -8.538 1.00 0.00 C ATOM 383 CD LYS A 25 5.770 -6.304 -7.201 1.00 0.00 C ATOM 384 CE LYS A 25 6.443 -4.931 -7.158 1.00 0.00 C ATOM 385 NZ LYS A 25 7.806 -5.003 -7.731 1.00 0.00 N ATOM 0 H LYS A 25 0.965 -6.658 -8.318 1.00 0.00 H new ATOM 0 HA LYS A 25 3.461 -8.049 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.120 -6.180 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.463 -5.158 -8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.164 -7.564 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.525 -5.913 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.053 -6.387 -6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.517 -7.084 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.846 -4.209 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.493 -4.576 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.248 -4.062 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.378 -5.676 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.751 -5.321 -8.720 1.00 0.00 H new ATOM 399 N THR A 26 2.229 -5.425 -5.955 1.00 0.00 N ATOM 400 CA THR A 26 2.034 -4.825 -4.646 1.00 0.00 C ATOM 401 C THR A 26 0.579 -4.387 -4.472 1.00 0.00 C ATOM 402 O THR A 26 -0.176 -4.329 -5.441 1.00 0.00 O ATOM 403 CB THR A 26 3.037 -3.680 -4.496 1.00 0.00 C ATOM 404 OG1 THR A 26 3.273 -3.606 -3.092 1.00 0.00 O ATOM 405 CG2 THR A 26 2.427 -2.319 -4.843 1.00 0.00 C ATOM 0 H THR A 26 1.988 -4.821 -6.741 1.00 0.00 H new ATOM 0 HA THR A 26 2.221 -5.545 -3.849 1.00 0.00 H new ATOM 0 HB THR A 26 3.899 -3.866 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.915 -2.889 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.180 -1.541 -4.720 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.080 -2.329 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.586 -2.118 -4.180 1.00 0.00 H new ATOM 413 N TYR A 27 0.229 -4.088 -3.229 1.00 0.00 N ATOM 414 CA TYR A 27 -1.122 -3.656 -2.916 1.00 0.00 C ATOM 415 C TYR A 27 -1.111 -2.523 -1.888 1.00 0.00 C ATOM 416 O TYR A 27 -0.154 -2.379 -1.129 1.00 0.00 O ATOM 417 CB TYR A 27 -1.824 -4.873 -2.309 1.00 0.00 C ATOM 418 CG TYR A 27 -1.203 -5.359 -0.998 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.012 -6.012 -1.010 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.860 -5.144 0.197 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.597 -6.470 0.223 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.275 -5.603 1.431 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.076 -6.243 1.384 1.00 0.00 C ATOM 424 OH TYR A 27 0.475 -6.676 2.549 1.00 0.00 O ATOM 0 H TYR A 27 0.858 -4.137 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.624 -3.287 -3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.871 -4.626 -2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.806 -5.688 -3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.525 -6.180 -1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.811 -4.632 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.548 -6.982 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.778 -5.442 2.373 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.115 -6.444 3.296 1.00 0.00 H new ATOM 434 N THR A 28 -2.186 -1.748 -1.896 1.00 0.00 N ATOM 435 CA THR A 28 -2.312 -0.633 -0.973 1.00 0.00 C ATOM 436 C THR A 28 -3.719 -0.593 -0.374 1.00 0.00 C ATOM 437 O THR A 28 -4.708 -0.571 -1.105 1.00 0.00 O ATOM 438 CB THR A 28 -1.933 0.646 -1.723 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.636 0.967 -1.230 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.795 1.842 -1.312 1.00 0.00 C ATOM 0 H THR A 28 -2.978 -1.870 -2.527 1.00 0.00 H new ATOM 0 HA THR A 28 -1.636 -0.742 -0.125 1.00 0.00 H new ATOM 0 HB THR A 28 -2.030 0.480 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.313 1.784 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.485 2.724 -1.873 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.842 1.626 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.672 2.029 -0.245 1.00 0.00 H new ATOM 448 N ILE A 29 -3.764 -0.583 0.950 1.00 0.00 N ATOM 449 CA ILE A 29 -5.034 -0.545 1.655 1.00 0.00 C ATOM 450 C ILE A 29 -5.180 0.804 2.361 1.00 0.00 C ATOM 451 O ILE A 29 -4.228 1.303 2.959 1.00 0.00 O ATOM 452 CB ILE A 29 -5.161 -1.747 2.594 1.00 0.00 C ATOM 453 CG1 ILE A 29 -4.924 -3.058 1.841 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.509 -1.737 3.317 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.315 -4.262 2.701 1.00 0.00 C ATOM 0 H ILE A 29 -2.942 -0.601 1.553 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.863 -0.629 0.952 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.386 -1.669 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.504 -3.062 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.874 -3.134 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.574 -2.601 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.600 -0.823 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.315 -1.779 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.137 -5.181 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.716 -4.269 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.371 -4.195 2.962 1.00 0.00 H new ATOM 467 N THR A 30 -6.381 1.356 2.268 1.00 0.00 N ATOM 468 CA THR A 30 -6.664 2.638 2.891 1.00 0.00 C ATOM 469 C THR A 30 -7.630 2.460 4.064 1.00 0.00 C ATOM 470 O THR A 30 -8.285 1.426 4.182 1.00 0.00 O ATOM 471 CB THR A 30 -7.191 3.583 1.809 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.405 2.974 1.377 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.312 3.588 0.557 1.00 0.00 C ATOM 0 H THR A 30 -7.168 0.939 1.771 1.00 0.00 H new ATOM 0 HA THR A 30 -5.762 3.078 3.317 1.00 0.00 H new ATOM 0 HB THR A 30 -7.256 4.594 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.371 2.827 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.731 4.275 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.304 3.909 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.274 2.584 0.135 1.00 0.00 H new ATOM 481 N GLU A 31 -7.689 3.485 4.902 1.00 0.00 N ATOM 482 CA GLU A 31 -8.563 3.454 6.063 1.00 0.00 C ATOM 483 C GLU A 31 -9.586 4.589 5.985 1.00 0.00 C ATOM 484 O GLU A 31 -10.626 4.537 6.641 1.00 0.00 O ATOM 485 CB GLU A 31 -7.756 3.531 7.359 1.00 0.00 C ATOM 486 CG GLU A 31 -7.881 2.233 8.160 1.00 0.00 C ATOM 487 CD GLU A 31 -6.699 1.302 7.883 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.575 1.834 7.750 1.00 0.00 O ATOM 489 OE2 GLU A 31 -6.947 0.078 7.809 1.00 0.00 O ATOM 0 H GLU A 31 -7.146 4.342 4.800 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.100 2.505 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.708 3.721 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.107 4.369 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.927 2.462 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.813 1.730 7.902 1.00 0.00 H new ATOM 496 N GLY A 32 -9.257 5.587 5.179 1.00 0.00 N ATOM 497 CA GLY A 32 -10.134 6.732 5.008 1.00 0.00 C ATOM 498 C GLY A 32 -11.434 6.328 4.308 1.00 0.00 C ATOM 499 O GLY A 32 -11.686 5.143 4.097 1.00 0.00 O ATOM 0 H GLY A 32 -8.394 5.626 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.361 7.169 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.626 7.500 4.424 1.00 0.00 H new ATOM 503 N SER A 33 -12.223 7.336 3.966 1.00 0.00 N ATOM 504 CA SER A 33 -13.490 7.100 3.295 1.00 0.00 C ATOM 505 C SER A 33 -13.322 6.020 2.225 1.00 0.00 C ATOM 506 O SER A 33 -14.272 5.310 1.899 1.00 0.00 O ATOM 507 CB SER A 33 -14.030 8.388 2.669 1.00 0.00 C ATOM 508 OG SER A 33 -13.120 8.944 1.725 1.00 0.00 O ATOM 0 H SER A 33 -12.009 8.318 4.141 1.00 0.00 H new ATOM 0 HA SER A 33 -14.212 6.758 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.981 8.182 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.229 9.117 3.454 1.00 0.00 H new ATOM 0 HG SER A 33 -13.501 9.764 1.347 1.00 0.00 H new ATOM 514 N LEU A 34 -12.105 5.929 1.708 1.00 0.00 N ATOM 515 CA LEU A 34 -11.800 4.947 0.681 1.00 0.00 C ATOM 516 C LEU A 34 -11.950 3.541 1.265 1.00 0.00 C ATOM 517 O LEU A 34 -12.719 2.730 0.750 1.00 0.00 O ATOM 518 CB LEU A 34 -10.421 5.217 0.074 1.00 0.00 C ATOM 519 CG LEU A 34 -10.359 5.263 -1.454 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.944 5.591 -1.935 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.884 3.962 -2.064 1.00 0.00 C ATOM 0 H LEU A 34 -11.319 6.519 1.981 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.507 5.027 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.055 6.168 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.735 4.445 0.423 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.011 6.066 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.927 5.618 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.643 6.563 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.253 4.827 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.829 4.022 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.278 3.126 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.920 3.810 -1.761 1.00 0.00 H new ATOM 533 N ARG A 35 -11.204 3.295 2.332 1.00 0.00 N ATOM 534 CA ARG A 35 -11.244 2.001 2.991 1.00 0.00 C ATOM 535 C ARG A 35 -11.393 0.883 1.957 1.00 0.00 C ATOM 536 O ARG A 35 -12.291 0.048 2.066 1.00 0.00 O ATOM 537 CB ARG A 35 -12.406 1.925 3.985 1.00 0.00 C ATOM 538 CG ARG A 35 -12.134 0.878 5.068 1.00 0.00 C ATOM 539 CD ARG A 35 -11.928 1.541 6.430 1.00 0.00 C ATOM 540 NE ARG A 35 -11.900 0.513 7.495 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.995 -0.056 8.018 1.00 0.00 C ATOM 542 NH1 ARG A 35 -14.210 0.300 7.580 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.873 -0.981 8.980 1.00 0.00 N ATOM 0 H ARG A 35 -10.568 3.970 2.757 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.307 1.876 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.558 2.900 4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.326 1.676 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.969 0.180 5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.250 0.298 4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.995 2.104 6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.730 2.253 6.622 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.991 0.220 7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.302 1.004 6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.043 -0.133 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.948 -1.251 9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.706 -1.415 9.379 1.00 0.00 H new ATOM 557 N ALA A 36 -10.500 0.902 0.979 1.00 0.00 N ATOM 558 CA ALA A 36 -10.521 -0.099 -0.073 1.00 0.00 C ATOM 559 C ALA A 36 -9.101 -0.622 -0.302 1.00 0.00 C ATOM 560 O ALA A 36 -8.126 0.058 0.014 1.00 0.00 O ATOM 561 CB ALA A 36 -11.131 0.503 -1.340 1.00 0.00 C ATOM 0 H ALA A 36 -9.757 1.595 0.893 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.142 -0.946 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.146 -0.249 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.149 0.832 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.533 1.355 -1.662 1.00 0.00 H new ATOM 567 N VAL A 37 -9.029 -1.828 -0.848 1.00 0.00 N ATOM 568 CA VAL A 37 -7.745 -2.449 -1.122 1.00 0.00 C ATOM 569 C VAL A 37 -7.362 -2.197 -2.582 1.00 0.00 C ATOM 570 O VAL A 37 -8.181 -2.375 -3.482 1.00 0.00 O ATOM 571 CB VAL A 37 -7.797 -3.936 -0.766 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.119 -4.135 0.716 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.804 -4.677 -1.650 1.00 0.00 C ATOM 0 H VAL A 37 -9.839 -2.391 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.966 -2.006 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.810 -4.359 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.150 -5.201 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.350 -3.658 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.087 -3.688 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.821 -5.732 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.796 -4.249 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.512 -4.578 -2.696 1.00 0.00 H new ATOM 583 N ILE A 38 -6.117 -1.786 -2.772 1.00 0.00 N ATOM 584 CA ILE A 38 -5.616 -1.508 -4.106 1.00 0.00 C ATOM 585 C ILE A 38 -4.635 -2.607 -4.518 1.00 0.00 C ATOM 586 O ILE A 38 -3.742 -2.966 -3.752 1.00 0.00 O ATOM 587 CB ILE A 38 -5.023 -0.099 -4.172 1.00 0.00 C ATOM 588 CG1 ILE A 38 -6.077 0.957 -3.832 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.374 0.160 -5.534 1.00 0.00 C ATOM 590 CD1 ILE A 38 -7.017 1.195 -5.015 1.00 0.00 C ATOM 0 H ILE A 38 -5.440 -1.639 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.431 -1.521 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.237 -0.025 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.653 0.635 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.586 1.891 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.960 1.168 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.575 -0.563 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.123 0.059 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.756 1.950 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.441 1.540 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.525 0.265 -5.269 1.00 0.00 H new ATOM 602 N PHE A 39 -4.834 -3.112 -5.727 1.00 0.00 N ATOM 603 CA PHE A 39 -3.979 -4.163 -6.250 1.00 0.00 C ATOM 604 C PHE A 39 -3.194 -3.676 -7.469 1.00 0.00 C ATOM 605 O PHE A 39 -3.782 -3.321 -8.489 1.00 0.00 O ATOM 606 CB PHE A 39 -4.894 -5.315 -6.673 1.00 0.00 C ATOM 607 CG PHE A 39 -5.390 -6.176 -5.510 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.496 -6.783 -4.685 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.724 -6.333 -5.302 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.956 -7.582 -3.604 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.185 -7.132 -4.222 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.291 -7.740 -3.396 1.00 0.00 C ATOM 0 H PHE A 39 -5.576 -2.812 -6.359 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.261 -4.472 -5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.755 -4.906 -7.202 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.359 -5.950 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.436 -6.658 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.433 -5.850 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.246 -8.064 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.245 -7.257 -4.056 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.641 -8.348 -2.575 1.00 0.00 H new ATOM 622 N ILE A 40 -1.877 -3.675 -7.324 1.00 0.00 N ATOM 623 CA ILE A 40 -1.006 -3.237 -8.400 1.00 0.00 C ATOM 624 C ILE A 40 -0.327 -4.456 -9.030 1.00 0.00 C ATOM 625 O ILE A 40 0.262 -5.275 -8.326 1.00 0.00 O ATOM 626 CB ILE A 40 -0.023 -2.178 -7.897 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.722 -1.171 -6.983 1.00 0.00 C ATOM 628 CG2 ILE A 40 0.691 -1.494 -9.065 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.247 -0.079 -6.527 1.00 0.00 C ATOM 0 H ILE A 40 -1.392 -3.971 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.586 -2.753 -9.186 1.00 0.00 H new ATOM 0 HB ILE A 40 0.741 -2.677 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.563 -0.719 -7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.130 -1.686 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.384 -0.746 -8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.243 -2.238 -9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.044 -1.011 -9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.276 0.624 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.074 -0.532 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.635 0.450 -7.398 1.00 0.00 H new ATOM 641 N THR A 41 -0.433 -4.538 -10.348 1.00 0.00 N ATOM 642 CA THR A 41 0.162 -5.643 -11.079 1.00 0.00 C ATOM 643 C THR A 41 1.558 -5.262 -11.577 1.00 0.00 C ATOM 644 O THR A 41 1.919 -4.087 -11.582 1.00 0.00 O ATOM 645 CB THR A 41 -0.797 -6.037 -12.204 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.397 -4.806 -12.597 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.972 -6.880 -11.703 1.00 0.00 C ATOM 0 H THR A 41 -0.922 -3.857 -10.929 1.00 0.00 H new ATOM 0 HA THR A 41 0.305 -6.511 -10.436 1.00 0.00 H new ATOM 0 HB THR A 41 -0.251 -6.591 -12.968 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.080 -4.551 -11.942 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.622 -7.133 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.595 -7.796 -11.248 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.537 -6.313 -10.963 1.00 0.00 H new ATOM 655 N LYS A 42 2.303 -6.279 -11.983 1.00 0.00 N ATOM 656 CA LYS A 42 3.652 -6.066 -12.481 1.00 0.00 C ATOM 657 C LYS A 42 3.598 -5.156 -13.711 1.00 0.00 C ATOM 658 O LYS A 42 4.530 -4.393 -13.964 1.00 0.00 O ATOM 659 CB LYS A 42 4.346 -7.405 -12.738 1.00 0.00 C ATOM 660 CG LYS A 42 4.747 -8.075 -11.422 1.00 0.00 C ATOM 661 CD LYS A 42 4.455 -9.577 -11.461 1.00 0.00 C ATOM 662 CE LYS A 42 3.865 -10.054 -10.133 1.00 0.00 C ATOM 663 NZ LYS A 42 4.774 -11.022 -9.479 1.00 0.00 N ATOM 0 H LYS A 42 1.999 -7.253 -11.978 1.00 0.00 H new ATOM 0 HA LYS A 42 4.259 -5.557 -11.732 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.680 -8.063 -13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.231 -7.248 -13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.808 -7.912 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.204 -7.616 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.760 -9.795 -12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.373 -10.125 -11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.699 -9.201 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.894 -10.518 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.222 -11.823 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.468 -11.369 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.272 -10.555 -8.694 1.00 0.00 H new ATOM 677 N ARG A 43 2.499 -5.267 -14.442 1.00 0.00 N ATOM 678 CA ARG A 43 2.312 -4.463 -15.638 1.00 0.00 C ATOM 679 C ARG A 43 2.262 -2.977 -15.276 1.00 0.00 C ATOM 680 O ARG A 43 2.539 -2.121 -16.115 1.00 0.00 O ATOM 681 CB ARG A 43 1.022 -4.848 -16.364 1.00 0.00 C ATOM 682 CG ARG A 43 1.283 -5.096 -17.851 1.00 0.00 C ATOM 683 CD ARG A 43 0.425 -4.173 -18.720 1.00 0.00 C ATOM 684 NE ARG A 43 0.840 -4.281 -20.136 1.00 0.00 N ATOM 685 CZ ARG A 43 0.354 -3.514 -21.122 1.00 0.00 C ATOM 686 NH1 ARG A 43 -0.566 -2.580 -20.852 1.00 0.00 N ATOM 687 NH2 ARG A 43 0.789 -3.683 -22.378 1.00 0.00 N ATOM 0 H ARG A 43 1.729 -5.901 -14.229 1.00 0.00 H new ATOM 0 HA ARG A 43 3.158 -4.651 -16.300 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.599 -5.745 -15.911 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.284 -4.054 -16.248 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.338 -4.932 -18.071 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.065 -6.136 -18.094 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.627 -4.440 -18.619 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.526 -3.142 -18.380 1.00 0.00 H new ATOM 0 HE ARG A 43 1.540 -4.983 -20.377 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.897 -2.452 -19.896 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.936 -1.996 -21.602 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.490 -4.395 -22.584 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.419 -3.100 -23.129 1.00 0.00 H new ATOM 701 N GLY A 44 1.907 -2.716 -14.027 1.00 0.00 N ATOM 702 CA GLY A 44 1.816 -1.349 -13.545 1.00 0.00 C ATOM 703 C GLY A 44 0.357 -0.914 -13.399 1.00 0.00 C ATOM 704 O GLY A 44 0.078 0.211 -12.987 1.00 0.00 O ATOM 0 H GLY A 44 1.679 -3.429 -13.334 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.322 -1.265 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.331 -0.681 -14.236 1.00 0.00 H new ATOM 708 N LEU A 45 -0.538 -1.829 -13.745 1.00 0.00 N ATOM 709 CA LEU A 45 -1.961 -1.554 -13.657 1.00 0.00 C ATOM 710 C LEU A 45 -2.423 -1.733 -12.209 1.00 0.00 C ATOM 711 O LEU A 45 -2.198 -2.781 -11.607 1.00 0.00 O ATOM 712 CB LEU A 45 -2.736 -2.413 -14.660 1.00 0.00 C ATOM 713 CG LEU A 45 -4.103 -2.917 -14.194 1.00 0.00 C ATOM 714 CD1 LEU A 45 -4.896 -1.802 -13.512 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.879 -3.545 -15.355 1.00 0.00 C ATOM 0 H LEU A 45 -0.304 -2.761 -14.087 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.166 -0.519 -13.932 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.876 -1.834 -15.573 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.122 -3.275 -14.921 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.944 -3.698 -13.451 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.864 -2.188 -13.191 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.343 -1.440 -12.645 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.047 -0.982 -14.214 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.847 -3.896 -14.998 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.028 -2.801 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.314 -4.386 -15.757 1.00 0.00 H new ATOM 727 N LYS A 46 -3.060 -0.692 -11.692 1.00 0.00 N ATOM 728 CA LYS A 46 -3.555 -0.721 -10.327 1.00 0.00 C ATOM 729 C LYS A 46 -5.085 -0.728 -10.343 1.00 0.00 C ATOM 730 O LYS A 46 -5.704 0.000 -11.118 1.00 0.00 O ATOM 731 CB LYS A 46 -2.954 0.429 -9.514 1.00 0.00 C ATOM 732 CG LYS A 46 -3.644 1.753 -9.846 1.00 0.00 C ATOM 733 CD LYS A 46 -3.046 2.901 -9.030 1.00 0.00 C ATOM 734 CE LYS A 46 -3.061 2.578 -7.535 1.00 0.00 C ATOM 735 NZ LYS A 46 -3.279 3.808 -6.740 1.00 0.00 N ATOM 0 H LYS A 46 -3.244 0.176 -12.194 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.237 -1.636 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.056 0.219 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.887 0.508 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.540 1.965 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.711 1.673 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.022 3.088 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.611 3.815 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.849 1.856 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.117 2.115 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.009 3.631 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.391 4.081 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.591 4.576 -7.368 1.00 0.00 H new ATOM 749 N VAL A 47 -5.650 -1.558 -9.480 1.00 0.00 N ATOM 750 CA VAL A 47 -7.096 -1.670 -9.385 1.00 0.00 C ATOM 751 C VAL A 47 -7.519 -1.538 -7.921 1.00 0.00 C ATOM 752 O VAL A 47 -6.673 -1.498 -7.028 1.00 0.00 O ATOM 753 CB VAL A 47 -7.563 -2.978 -10.027 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.939 -4.008 -8.960 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.729 -2.732 -10.986 1.00 0.00 C ATOM 0 H VAL A 47 -5.133 -2.160 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.578 -0.863 -9.936 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.733 -3.383 -10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.268 -4.928 -9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.072 -4.216 -8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.746 -3.614 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.042 -3.678 -11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.564 -2.294 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.414 -2.049 -11.775 1.00 0.00 H new ATOM 765 N CYS A 48 -8.827 -1.474 -7.719 1.00 0.00 N ATOM 766 CA CYS A 48 -9.372 -1.348 -6.378 1.00 0.00 C ATOM 767 C CYS A 48 -10.283 -2.548 -6.115 1.00 0.00 C ATOM 768 O CYS A 48 -11.043 -2.960 -6.990 1.00 0.00 O ATOM 769 CB CYS A 48 -10.109 -0.020 -6.190 1.00 0.00 C ATOM 770 SG CYS A 48 -9.309 1.422 -6.983 1.00 0.00 S ATOM 0 H CYS A 48 -9.525 -1.507 -8.462 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.560 -1.344 -5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.119 -0.122 -6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.206 0.178 -5.122 1.00 0.00 H new ATOM 775 N ALA A 49 -10.177 -3.077 -4.904 1.00 0.00 N ATOM 776 CA ALA A 49 -10.981 -4.222 -4.514 1.00 0.00 C ATOM 777 C ALA A 49 -11.530 -3.999 -3.104 1.00 0.00 C ATOM 778 O ALA A 49 -10.924 -3.287 -2.304 1.00 0.00 O ATOM 779 CB ALA A 49 -10.140 -5.496 -4.618 1.00 0.00 C ATOM 0 H ALA A 49 -9.546 -2.733 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.833 -4.338 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.743 -6.355 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.800 -5.625 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.277 -5.417 -3.957 1.00 0.00 H new ATOM 785 N ASP A 50 -12.670 -4.620 -2.842 1.00 0.00 N ATOM 786 CA ASP A 50 -13.307 -4.498 -1.541 1.00 0.00 C ATOM 787 C ASP A 50 -12.658 -5.481 -0.566 1.00 0.00 C ATOM 788 O ASP A 50 -12.472 -6.653 -0.891 1.00 0.00 O ATOM 789 CB ASP A 50 -14.798 -4.830 -1.625 1.00 0.00 C ATOM 790 CG ASP A 50 -15.731 -3.616 -1.636 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.378 -2.623 -0.964 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.775 -3.710 -2.317 1.00 0.00 O ATOM 0 H ASP A 50 -13.170 -5.209 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.185 -3.470 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.975 -5.413 -2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.062 -5.465 -0.779 1.00 0.00 H new ATOM 797 N PRO A 51 -12.324 -4.956 0.643 1.00 0.00 N ATOM 798 CA PRO A 51 -11.699 -5.775 1.668 1.00 0.00 C ATOM 799 C PRO A 51 -12.720 -6.711 2.320 1.00 0.00 C ATOM 800 O PRO A 51 -12.384 -7.462 3.234 1.00 0.00 O ATOM 801 CB PRO A 51 -11.093 -4.784 2.648 1.00 0.00 C ATOM 802 CG PRO A 51 -11.793 -3.460 2.389 1.00 0.00 C ATOM 803 CD PRO A 51 -12.528 -3.574 1.064 1.00 0.00 C ATOM 0 HA PRO A 51 -10.933 -6.438 1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.244 -5.111 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.017 -4.693 2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.491 -3.233 3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.069 -2.646 2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.588 -3.348 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.130 -2.874 0.329 1.00 0.00 H new ATOM 811 N GLN A 52 -13.946 -6.635 1.821 1.00 0.00 N ATOM 812 CA GLN A 52 -15.017 -7.466 2.343 1.00 0.00 C ATOM 813 C GLN A 52 -14.955 -8.864 1.724 1.00 0.00 C ATOM 814 O GLN A 52 -15.617 -9.787 2.198 1.00 0.00 O ATOM 815 CB GLN A 52 -16.382 -6.818 2.099 1.00 0.00 C ATOM 816 CG GLN A 52 -17.377 -7.205 3.195 1.00 0.00 C ATOM 817 CD GLN A 52 -17.705 -6.005 4.086 1.00 0.00 C ATOM 818 OE1 GLN A 52 -17.027 -5.719 5.059 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.780 -5.324 3.701 1.00 0.00 N ATOM 0 H GLN A 52 -14.220 -6.011 1.062 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.884 -7.561 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.273 -5.734 2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.767 -7.128 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.292 -7.587 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.961 -8.010 3.801 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.302 -5.619 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.083 -4.507 4.231 1.00 0.00 H new ATOM 828 N ALA A 53 -14.154 -8.976 0.676 1.00 0.00 N ATOM 829 CA ALA A 53 -13.996 -10.246 -0.014 1.00 0.00 C ATOM 830 C ALA A 53 -12.888 -11.055 0.663 1.00 0.00 C ATOM 831 O ALA A 53 -11.820 -10.522 0.961 1.00 0.00 O ATOM 832 CB ALA A 53 -13.711 -9.992 -1.495 1.00 0.00 C ATOM 0 H ALA A 53 -13.607 -8.208 0.287 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.914 -10.831 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.593 -10.945 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.542 -9.441 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.795 -9.409 -1.595 1.00 0.00 H new ATOM 838 N THR A 54 -13.179 -12.328 0.885 1.00 0.00 N ATOM 839 CA THR A 54 -12.220 -13.215 1.521 1.00 0.00 C ATOM 840 C THR A 54 -11.048 -13.496 0.579 1.00 0.00 C ATOM 841 O THR A 54 -9.896 -13.530 1.008 1.00 0.00 O ATOM 842 CB THR A 54 -12.964 -14.478 1.960 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.668 -14.076 3.132 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.016 -15.573 2.453 1.00 0.00 C ATOM 0 H THR A 54 -14.066 -12.767 0.636 1.00 0.00 H new ATOM 0 HA THR A 54 -11.781 -12.755 2.406 1.00 0.00 H new ATOM 0 HB THR A 54 -13.557 -14.858 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.180 -14.835 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.594 -16.447 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.330 -15.848 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.447 -15.205 3.307 1.00 0.00 H new ATOM 852 N TRP A 55 -11.383 -13.693 -0.689 1.00 0.00 N ATOM 853 CA TRP A 55 -10.373 -13.969 -1.695 1.00 0.00 C ATOM 854 C TRP A 55 -9.405 -12.785 -1.734 1.00 0.00 C ATOM 855 O TRP A 55 -8.192 -12.971 -1.813 1.00 0.00 O ATOM 856 CB TRP A 55 -11.017 -14.260 -3.052 1.00 0.00 C ATOM 857 CG TRP A 55 -11.421 -13.007 -3.831 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.598 -12.364 -3.806 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.599 -12.265 -4.755 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.592 -11.268 -4.643 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.339 -11.205 -5.239 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.273 -12.483 -5.169 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.839 -10.280 -6.163 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.788 -11.549 -6.093 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.519 -10.477 -6.589 1.00 0.00 C ATOM 0 H TRP A 55 -12.340 -13.667 -1.041 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.811 -14.868 -1.440 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.321 -14.842 -3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.900 -14.880 -2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.444 -12.666 -3.206 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.366 -10.622 -4.796 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.676 -13.305 -4.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.438 -9.459 -6.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.774 -11.671 -6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -9.072 -9.798 -7.300 1.00 0.00 H new ATOM 876 N VAL A 56 -9.978 -11.592 -1.676 1.00 0.00 N ATOM 877 CA VAL A 56 -9.183 -10.376 -1.703 1.00 0.00 C ATOM 878 C VAL A 56 -8.188 -10.398 -0.541 1.00 0.00 C ATOM 879 O VAL A 56 -6.999 -10.144 -0.733 1.00 0.00 O ATOM 880 CB VAL A 56 -10.098 -9.151 -1.684 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.319 -7.891 -1.302 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.804 -8.972 -3.030 1.00 0.00 C ATOM 0 H VAL A 56 -10.985 -11.441 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.605 -10.318 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.862 -9.316 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.993 -7.034 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.885 -8.018 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.523 -7.721 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.448 -8.094 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.061 -8.840 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.407 -9.854 -3.245 1.00 0.00 H new ATOM 892 N ARG A 57 -8.709 -10.703 0.638 1.00 0.00 N ATOM 893 CA ARG A 57 -7.881 -10.761 1.830 1.00 0.00 C ATOM 894 C ARG A 57 -6.903 -11.934 1.742 1.00 0.00 C ATOM 895 O ARG A 57 -5.786 -11.854 2.249 1.00 0.00 O ATOM 896 CB ARG A 57 -8.738 -10.914 3.089 1.00 0.00 C ATOM 897 CG ARG A 57 -8.793 -9.605 3.878 1.00 0.00 C ATOM 898 CD ARG A 57 -10.119 -9.470 4.627 1.00 0.00 C ATOM 899 NE ARG A 57 -10.128 -10.366 5.806 1.00 0.00 N ATOM 900 CZ ARG A 57 -9.585 -10.054 6.990 1.00 0.00 C ATOM 901 NH1 ARG A 57 -8.986 -8.868 7.161 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.639 -10.930 8.003 1.00 0.00 N ATOM 0 H ARG A 57 -9.695 -10.913 0.793 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.326 -9.825 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.747 -11.218 2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.329 -11.705 3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.966 -9.569 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.668 -8.762 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.264 -8.437 4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.948 -9.719 3.964 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.576 -11.278 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.943 -8.202 6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.573 -8.631 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.093 -11.834 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.226 -10.693 8.905 1.00 0.00 H new ATOM 916 N ASP A 58 -7.361 -12.996 1.094 1.00 0.00 N ATOM 917 CA ASP A 58 -6.540 -14.184 0.932 1.00 0.00 C ATOM 918 C ASP A 58 -5.330 -13.847 0.058 1.00 0.00 C ATOM 919 O ASP A 58 -4.201 -14.206 0.389 1.00 0.00 O ATOM 920 CB ASP A 58 -7.323 -15.304 0.245 1.00 0.00 C ATOM 921 CG ASP A 58 -7.306 -16.648 0.977 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.755 -16.676 2.099 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.844 -17.616 0.398 1.00 0.00 O ATOM 0 H ASP A 58 -8.289 -13.058 0.676 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.228 -14.517 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.358 -14.984 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.919 -15.448 -0.757 1.00 0.00 H new ATOM 928 N VAL A 59 -5.607 -13.162 -1.042 1.00 0.00 N ATOM 929 CA VAL A 59 -4.555 -12.773 -1.966 1.00 0.00 C ATOM 930 C VAL A 59 -3.678 -11.704 -1.313 1.00 0.00 C ATOM 931 O VAL A 59 -2.463 -11.688 -1.507 1.00 0.00 O ATOM 932 CB VAL A 59 -5.167 -12.318 -3.292 1.00 0.00 C ATOM 933 CG1 VAL A 59 -5.970 -13.445 -3.943 1.00 0.00 C ATOM 934 CG2 VAL A 59 -6.030 -11.071 -3.098 1.00 0.00 C ATOM 0 H VAL A 59 -6.545 -12.866 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.913 -13.623 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.350 -12.059 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.394 -13.093 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.315 -14.295 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.775 -13.751 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.453 -10.769 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.836 -11.292 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.417 -10.262 -2.701 1.00 0.00 H new ATOM 944 N VAL A 60 -4.327 -10.835 -0.552 1.00 0.00 N ATOM 945 CA VAL A 60 -3.622 -9.764 0.131 1.00 0.00 C ATOM 946 C VAL A 60 -2.569 -10.367 1.065 1.00 0.00 C ATOM 947 O VAL A 60 -1.458 -9.851 1.167 1.00 0.00 O ATOM 948 CB VAL A 60 -4.619 -8.861 0.859 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.947 -8.128 2.022 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.272 -7.874 -0.109 1.00 0.00 C ATOM 0 H VAL A 60 -5.334 -10.851 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.098 -9.133 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.405 -9.493 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.678 -7.493 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.552 -8.856 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.132 -7.513 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.976 -7.244 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.504 -7.250 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.802 -8.424 -0.887 1.00 0.00 H new ATOM 960 N ARG A 61 -2.957 -11.451 1.720 1.00 0.00 N ATOM 961 CA ARG A 61 -2.060 -12.129 2.641 1.00 0.00 C ATOM 962 C ARG A 61 -0.815 -12.622 1.903 1.00 0.00 C ATOM 963 O ARG A 61 0.305 -12.438 2.377 1.00 0.00 O ATOM 964 CB ARG A 61 -2.754 -13.318 3.309 1.00 0.00 C ATOM 965 CG ARG A 61 -2.544 -13.295 4.824 1.00 0.00 C ATOM 966 CD ARG A 61 -1.191 -13.901 5.201 1.00 0.00 C ATOM 967 NE ARG A 61 -0.757 -13.390 6.519 1.00 0.00 N ATOM 968 CZ ARG A 61 0.154 -13.992 7.296 1.00 0.00 C ATOM 969 NH1 ARG A 61 0.732 -15.131 6.890 1.00 0.00 N ATOM 970 NH2 ARG A 61 0.488 -13.457 8.477 1.00 0.00 N ATOM 0 H ARG A 61 -3.880 -11.877 1.632 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.770 -11.413 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.821 -13.293 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.364 -14.249 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.600 -12.269 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.344 -13.850 5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.266 -14.988 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.448 -13.653 4.443 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.177 -12.525 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.478 -15.539 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.425 -15.590 7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.049 -12.590 8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.182 -13.916 9.067 1.00 0.00 H new ATOM 984 N SER A 62 -1.052 -13.239 0.754 1.00 0.00 N ATOM 985 CA SER A 62 0.037 -13.760 -0.054 1.00 0.00 C ATOM 986 C SER A 62 0.787 -12.608 -0.726 1.00 0.00 C ATOM 987 O SER A 62 2.009 -12.651 -0.858 1.00 0.00 O ATOM 988 CB SER A 62 -0.480 -14.743 -1.106 1.00 0.00 C ATOM 989 OG SER A 62 0.438 -15.808 -1.337 1.00 0.00 O ATOM 0 H SER A 62 -1.982 -13.390 0.364 1.00 0.00 H new ATOM 0 HA SER A 62 0.722 -14.298 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.436 -15.153 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.662 -14.212 -2.040 1.00 0.00 H new ATOM 0 HG SER A 62 0.071 -16.415 -2.013 1.00 0.00 H new ATOM 995 N MET A 63 0.023 -11.606 -1.136 1.00 0.00 N ATOM 996 CA MET A 63 0.600 -10.444 -1.792 1.00 0.00 C ATOM 997 C MET A 63 1.854 -9.966 -1.057 1.00 0.00 C ATOM 998 O MET A 63 2.881 -9.705 -1.681 1.00 0.00 O ATOM 999 CB MET A 63 -0.431 -9.314 -1.831 1.00 0.00 C ATOM 1000 CG MET A 63 -1.353 -9.455 -3.043 1.00 0.00 C ATOM 1001 SD MET A 63 -1.229 -8.004 -4.076 1.00 0.00 S ATOM 1002 CE MET A 63 0.523 -8.016 -4.416 1.00 0.00 C ATOM 0 H MET A 63 -0.991 -11.575 -1.027 1.00 0.00 H new ATOM 0 HA MET A 63 0.881 -10.726 -2.807 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.023 -9.325 -0.916 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.080 -8.352 -1.868 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.083 -10.343 -3.615 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.383 -9.590 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.704 -7.605 -5.409 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.042 -7.411 -3.673 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.895 -9.040 -4.374 1.00 0.00 H new ATOM 1012 N ASP A 64 1.729 -9.867 0.258 1.00 0.00 N ATOM 1013 CA ASP A 64 2.839 -9.425 1.084 1.00 0.00 C ATOM 1014 C ASP A 64 3.920 -10.508 1.100 1.00 0.00 C ATOM 1015 O ASP A 64 5.108 -10.203 1.199 1.00 0.00 O ATOM 1016 CB ASP A 64 2.391 -9.183 2.527 1.00 0.00 C ATOM 1017 CG ASP A 64 3.076 -8.009 3.229 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.224 -7.707 2.840 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.435 -7.440 4.139 1.00 0.00 O ATOM 0 H ASP A 64 0.875 -10.085 0.772 1.00 0.00 H new ATOM 0 HA ASP A 64 3.221 -8.494 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.314 -9.012 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.574 -10.089 3.105 1.00 0.00 H new ATOM 1024 N ARG A 65 3.469 -11.750 1.002 1.00 0.00 N ATOM 1025 CA ARG A 65 4.383 -12.880 1.005 1.00 0.00 C ATOM 1026 C ARG A 65 5.184 -12.918 -0.299 1.00 0.00 C ATOM 1027 O ARG A 65 6.406 -13.051 -0.277 1.00 0.00 O ATOM 1028 CB ARG A 65 3.626 -14.200 1.169 1.00 0.00 C ATOM 1029 CG ARG A 65 4.462 -15.378 0.664 1.00 0.00 C ATOM 1030 CD ARG A 65 4.165 -16.646 1.467 1.00 0.00 C ATOM 1031 NE ARG A 65 3.797 -17.749 0.553 1.00 0.00 N ATOM 1032 CZ ARG A 65 3.833 -19.046 0.889 1.00 0.00 C ATOM 1033 NH1 ARG A 65 4.220 -19.410 2.119 1.00 0.00 N ATOM 1034 NH2 ARG A 65 3.481 -19.979 -0.005 1.00 0.00 N ATOM 0 H ARG A 65 2.483 -11.999 0.920 1.00 0.00 H new ATOM 0 HA ARG A 65 5.061 -12.756 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.375 -14.351 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.686 -14.155 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.250 -15.553 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.522 -15.135 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.038 -16.927 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.353 -16.459 2.170 1.00 0.00 H new ATOM 0 HE ARG A 65 3.497 -17.508 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.487 -18.700 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.247 -20.397 2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.186 -19.702 -0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.508 -20.966 0.250 1.00 0.00 H new ATOM 1048 N LYS A 66 4.461 -12.799 -1.403 1.00 0.00 N ATOM 1049 CA LYS A 66 5.089 -12.818 -2.714 1.00 0.00 C ATOM 1050 C LYS A 66 5.861 -11.514 -2.923 1.00 0.00 C ATOM 1051 O LYS A 66 6.817 -11.471 -3.697 1.00 0.00 O ATOM 1052 CB LYS A 66 4.051 -13.098 -3.801 1.00 0.00 C ATOM 1053 CG LYS A 66 3.153 -11.881 -4.030 1.00 0.00 C ATOM 1054 CD LYS A 66 2.863 -11.686 -5.519 1.00 0.00 C ATOM 1055 CE LYS A 66 4.127 -11.267 -6.274 1.00 0.00 C ATOM 1056 NZ LYS A 66 4.711 -10.049 -5.670 1.00 0.00 N ATOM 0 H LYS A 66 3.447 -12.689 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 66 5.812 -13.631 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.555 -13.362 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.442 -13.955 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.216 -12.008 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.635 -10.989 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.473 -12.612 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.091 -10.927 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.856 -12.077 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.888 -11.082 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.974 -9.380 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.013 -9.605 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.558 -10.305 -5.123 1.00 0.00 H new ATOM 1070 N SER A 67 5.420 -10.482 -2.219 1.00 0.00 N ATOM 1071 CA SER A 67 6.058 -9.181 -2.318 1.00 0.00 C ATOM 1072 C SER A 67 6.497 -8.706 -0.932 1.00 0.00 C ATOM 1073 O SER A 67 6.254 -7.559 -0.559 1.00 0.00 O ATOM 1074 CB SER A 67 5.120 -8.155 -2.959 1.00 0.00 C ATOM 1075 OG SER A 67 5.730 -6.872 -3.072 1.00 0.00 O ATOM 0 H SER A 67 4.628 -10.521 -1.577 1.00 0.00 H new ATOM 0 HA SER A 67 6.936 -9.279 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.823 -8.504 -3.948 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.211 -8.073 -2.363 1.00 0.00 H new ATOM 0 HG SER A 67 6.077 -6.597 -2.198 1.00 0.00 H new ATOM 1081 N ASN A 68 7.134 -9.612 -0.205 1.00 0.00 N ATOM 1082 CA ASN A 68 7.609 -9.300 1.132 1.00 0.00 C ATOM 1083 C ASN A 68 8.828 -8.379 1.034 1.00 0.00 C ATOM 1084 O ASN A 68 8.814 -7.267 1.562 1.00 0.00 O ATOM 1085 CB ASN A 68 8.033 -10.568 1.876 1.00 0.00 C ATOM 1086 CG ASN A 68 7.159 -10.799 3.110 1.00 0.00 C ATOM 1087 OD1 ASN A 68 6.209 -10.079 3.372 1.00 0.00 O ATOM 1088 ND2 ASN A 68 7.532 -11.838 3.851 1.00 0.00 N ATOM 0 H ASN A 68 7.332 -10.563 -0.517 1.00 0.00 H new ATOM 0 HA ASN A 68 6.796 -8.818 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.960 -11.427 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.078 -10.485 2.176 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.013 -12.074 4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.337 -12.399 3.574 1.00 0.00 H new ATOM 1095 N THR A 69 9.851 -8.876 0.356 1.00 0.00 N ATOM 1096 CA THR A 69 11.075 -8.112 0.183 1.00 0.00 C ATOM 1097 C THR A 69 11.677 -8.373 -1.199 1.00 0.00 C ATOM 1098 O THR A 69 12.773 -8.918 -1.310 1.00 0.00 O ATOM 1099 CB THR A 69 12.021 -8.465 1.334 1.00 0.00 C ATOM 1100 OG1 THR A 69 11.575 -7.648 2.412 1.00 0.00 O ATOM 1101 CG2 THR A 69 13.454 -7.996 1.078 1.00 0.00 C ATOM 0 H THR A 69 9.858 -9.798 -0.080 1.00 0.00 H new ATOM 0 HA THR A 69 10.880 -7.040 0.221 1.00 0.00 H new ATOM 0 HB THR A 69 12.015 -9.544 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.681 -7.300 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.084 -8.271 1.924 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.835 -8.469 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.466 -6.913 0.954 1.00 0.00 H new ATOM 1109 N ARG A 70 10.931 -7.972 -2.219 1.00 0.00 N ATOM 1110 CA ARG A 70 11.376 -8.156 -3.589 1.00 0.00 C ATOM 1111 C ARG A 70 12.870 -7.850 -3.707 1.00 0.00 C ATOM 1112 O ARG A 70 13.596 -8.545 -4.418 1.00 0.00 O ATOM 1113 CB ARG A 70 10.600 -7.249 -4.547 1.00 0.00 C ATOM 1114 CG ARG A 70 10.939 -7.572 -6.003 1.00 0.00 C ATOM 1115 CD ARG A 70 10.135 -8.776 -6.500 1.00 0.00 C ATOM 1116 NE ARG A 70 9.739 -8.574 -7.911 1.00 0.00 N ATOM 1117 CZ ARG A 70 9.400 -9.565 -8.746 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.404 -10.834 -8.316 1.00 0.00 N ATOM 1119 NH2 ARG A 70 9.054 -9.288 -10.011 1.00 0.00 N ATOM 0 H ARG A 70 10.021 -7.520 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 70 11.191 -9.195 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.529 -7.372 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.837 -6.206 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.728 -6.706 -6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.005 -7.780 -6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.730 -9.684 -6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.248 -8.912 -5.881 1.00 0.00 H new ATOM 0 HE ARG A 70 9.723 -7.620 -8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.665 -11.045 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.146 -11.589 -8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.049 -8.322 -10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.796 -10.043 -10.646 1.00 0.00 H new ATOM 1133 N ASN A 71 13.287 -6.809 -3.001 1.00 0.00 N ATOM 1134 CA ASN A 71 14.681 -6.403 -3.018 1.00 0.00 C ATOM 1135 C ASN A 71 15.571 -7.646 -2.973 1.00 0.00 C ATOM 1136 O ASN A 71 16.440 -7.824 -3.826 1.00 0.00 O ATOM 1137 CB ASN A 71 15.017 -5.537 -1.803 1.00 0.00 C ATOM 1138 CG ASN A 71 14.749 -4.058 -2.092 1.00 0.00 C ATOM 1139 OD1 ASN A 71 15.237 -3.489 -3.054 1.00 0.00 O ATOM 1140 ND2 ASN A 71 13.949 -3.470 -1.207 1.00 0.00 N ATOM 0 H ASN A 71 12.683 -6.235 -2.413 1.00 0.00 H new ATOM 0 HA ASN A 71 14.854 -5.830 -3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.422 -5.858 -0.948 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.064 -5.674 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.710 -2.484 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.574 -4.005 -0.424 1.00 0.00 H new ATOM 1147 N ASN A 72 15.323 -8.476 -1.969 1.00 0.00 N ATOM 1148 CA ASN A 72 16.091 -9.698 -1.802 1.00 0.00 C ATOM 1149 C ASN A 72 16.041 -10.509 -3.098 1.00 0.00 C ATOM 1150 O ASN A 72 17.080 -10.855 -3.659 1.00 0.00 O ATOM 1151 CB ASN A 72 15.513 -10.562 -0.680 1.00 0.00 C ATOM 1152 CG ASN A 72 16.192 -10.255 0.656 1.00 0.00 C ATOM 1153 OD1 ASN A 72 16.600 -9.138 0.931 1.00 0.00 O ATOM 1154 ND2 ASN A 72 16.290 -11.304 1.467 1.00 0.00 N ATOM 0 H ASN A 72 14.601 -8.326 -1.264 1.00 0.00 H new ATOM 0 HA ASN A 72 17.115 -9.421 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.441 -10.385 -0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.644 -11.616 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.728 -11.202 2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.927 -12.211 1.174 1.00 0.00 H new ATOM 1161 N MET A 73 14.822 -10.788 -3.537 1.00 0.00 N ATOM 1162 CA MET A 73 14.623 -11.551 -4.757 1.00 0.00 C ATOM 1163 C MET A 73 15.015 -13.016 -4.557 1.00 0.00 C ATOM 1164 O MET A 73 14.166 -13.904 -4.618 1.00 0.00 O ATOM 1165 CB MET A 73 15.464 -10.945 -5.882 1.00 0.00 C ATOM 1166 CG MET A 73 14.664 -10.866 -7.183 1.00 0.00 C ATOM 1167 SD MET A 73 15.034 -12.274 -8.215 1.00 0.00 S ATOM 1168 CE MET A 73 13.680 -13.349 -7.771 1.00 0.00 C ATOM 0 H MET A 73 13.963 -10.499 -3.069 1.00 0.00 H new ATOM 0 HA MET A 73 13.566 -11.510 -5.021 1.00 0.00 H new ATOM 0 HB2 MET A 73 15.797 -9.948 -5.595 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.359 -11.548 -6.037 1.00 0.00 H new ATOM 0 HG2 MET A 73 13.597 -10.837 -6.962 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.905 -9.944 -7.712 1.00 0.00 H new ATOM 0 HE1 MET A 73 14.010 -14.387 -7.813 1.00 0.00 H new ATOM 0 HE2 MET A 73 13.346 -13.115 -6.760 1.00 0.00 H new ATOM 0 HE3 MET A 73 12.855 -13.202 -8.468 1.00 0.00 H new ATOM 1178 N ILE A 74 16.303 -13.224 -4.323 1.00 0.00 N ATOM 1179 CA ILE A 74 16.818 -14.566 -4.113 1.00 0.00 C ATOM 1180 C ILE A 74 18.039 -14.501 -3.193 1.00 0.00 C ATOM 1181 O ILE A 74 18.484 -13.416 -2.822 1.00 0.00 O ATOM 1182 CB ILE A 74 17.096 -15.249 -5.454 1.00 0.00 C ATOM 1183 CG1 ILE A 74 18.043 -14.408 -6.312 1.00 0.00 C ATOM 1184 CG2 ILE A 74 15.791 -15.569 -6.187 1.00 0.00 C ATOM 1185 CD1 ILE A 74 19.504 -14.758 -6.020 1.00 0.00 C ATOM 0 H ILE A 74 17.005 -12.485 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 74 16.073 -15.185 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 74 17.596 -16.197 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.829 -14.576 -7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.873 -13.349 -6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.017 -16.054 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.184 -16.236 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.242 -14.646 -6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.156 -14.146 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.721 -14.566 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.677 -15.812 -6.239 1.00 0.00 H new ATOM 1197 N GLN A 75 18.545 -15.677 -2.850 1.00 0.00 N ATOM 1198 CA GLN A 75 19.705 -15.767 -1.980 1.00 0.00 C ATOM 1199 C GLN A 75 20.531 -17.008 -2.325 1.00 0.00 C ATOM 1200 O GLN A 75 20.688 -17.904 -1.495 1.00 0.00 O ATOM 1201 CB GLN A 75 19.287 -15.778 -0.508 1.00 0.00 C ATOM 1202 CG GLN A 75 19.295 -14.364 0.074 1.00 0.00 C ATOM 1203 CD GLN A 75 20.452 -14.182 1.059 1.00 0.00 C ATOM 1204 OE1 GLN A 75 20.275 -14.160 2.267 1.00 0.00 O ATOM 1205 NE2 GLN A 75 21.641 -14.056 0.479 1.00 0.00 N ATOM 0 H GLN A 75 18.173 -16.575 -3.159 1.00 0.00 H new ATOM 0 HA GLN A 75 20.325 -14.885 -2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 75 18.290 -16.209 -0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 75 19.965 -16.414 0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 75 19.381 -13.636 -0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.349 -14.170 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 75 21.718 -14.083 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 75 22.477 -13.932 1.051 1.00 0.00 H new ATOM 1214 N THR A 76 21.038 -17.022 -3.548 1.00 0.00 N ATOM 1215 CA THR A 76 21.843 -18.139 -4.012 1.00 0.00 C ATOM 1216 C THR A 76 23.085 -17.630 -4.750 1.00 0.00 C ATOM 1217 O THR A 76 23.276 -16.423 -4.891 1.00 0.00 O ATOM 1218 CB THR A 76 20.954 -19.040 -4.870 1.00 0.00 C ATOM 1219 OG1 THR A 76 20.371 -18.151 -5.819 1.00 0.00 O ATOM 1220 CG2 THR A 76 19.757 -19.591 -4.093 1.00 0.00 C ATOM 0 H THR A 76 20.907 -16.277 -4.233 1.00 0.00 H new ATOM 0 HA THR A 76 22.218 -18.730 -3.176 1.00 0.00 H new ATOM 0 HB THR A 76 21.546 -19.867 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.780 -18.653 -6.418 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.158 -20.224 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.112 -20.178 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.146 -18.764 -3.731 1.00 0.00 H new ATOM 1228 N LYS A 77 23.895 -18.576 -5.201 1.00 0.00 N ATOM 1229 CA LYS A 77 25.111 -18.240 -5.920 1.00 0.00 C ATOM 1230 C LYS A 77 24.873 -18.407 -7.422 1.00 0.00 C ATOM 1231 O LYS A 77 24.058 -19.229 -7.838 1.00 0.00 O ATOM 1232 CB LYS A 77 26.291 -19.057 -5.390 1.00 0.00 C ATOM 1233 CG LYS A 77 27.183 -18.207 -4.483 1.00 0.00 C ATOM 1234 CD LYS A 77 27.516 -18.950 -3.188 1.00 0.00 C ATOM 1235 CE LYS A 77 26.591 -18.511 -2.051 1.00 0.00 C ATOM 1236 NZ LYS A 77 27.313 -17.634 -1.104 1.00 0.00 N ATOM 0 H LYS A 77 23.733 -19.576 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 77 25.376 -17.196 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 77 25.921 -19.920 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 77 26.876 -19.441 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 77 28.104 -17.953 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 77 26.680 -17.269 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 77 27.420 -20.024 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 77 28.553 -18.760 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 77 25.729 -17.983 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.210 -19.387 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.670 -17.346 -0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.122 -18.149 -0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 27.656 -16.790 -1.605 1.00 0.00 H new ATOM 1250 N PRO A 78 25.618 -17.593 -8.217 1.00 0.00 N ATOM 1251 CA PRO A 78 25.496 -17.642 -9.664 1.00 0.00 C ATOM 1252 C PRO A 78 26.187 -18.884 -10.230 1.00 0.00 C ATOM 1253 O PRO A 78 26.935 -19.559 -9.524 1.00 0.00 O ATOM 1254 CB PRO A 78 26.113 -16.343 -10.155 1.00 0.00 C ATOM 1255 CG PRO A 78 26.971 -15.829 -9.010 1.00 0.00 C ATOM 1256 CD PRO A 78 26.593 -16.606 -7.760 1.00 0.00 C ATOM 0 HA PRO A 78 24.461 -17.726 -9.997 1.00 0.00 H new ATOM 0 HB2 PRO A 78 26.714 -16.510 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 78 25.342 -15.620 -10.420 1.00 0.00 H new ATOM 0 HG2 PRO A 78 28.029 -15.961 -9.236 1.00 0.00 H new ATOM 0 HG3 PRO A 78 26.808 -14.762 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 78 27.464 -17.087 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 78 26.167 -15.951 -7.000 1.00 0.00 H new ATOM 1264 N THR A 79 25.913 -19.148 -11.499 1.00 0.00 N ATOM 1265 CA THR A 79 26.499 -20.297 -12.167 1.00 0.00 C ATOM 1266 C THR A 79 26.666 -20.016 -13.662 1.00 0.00 C ATOM 1267 O THR A 79 26.039 -19.105 -14.200 1.00 0.00 O ATOM 1268 CB THR A 79 25.622 -21.515 -11.873 1.00 0.00 C ATOM 1269 OG1 THR A 79 25.232 -21.342 -10.513 1.00 0.00 O ATOM 1270 CG2 THR A 79 26.416 -22.823 -11.868 1.00 0.00 C ATOM 0 H THR A 79 25.293 -18.586 -12.082 1.00 0.00 H new ATOM 0 HA THR A 79 27.501 -20.503 -11.792 1.00 0.00 H new ATOM 0 HB THR A 79 24.827 -21.576 -12.616 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.659 -22.088 -10.240 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.745 -23.655 -11.654 1.00 0.00 H new ATOM 0 HG22 THR A 79 26.879 -22.971 -12.844 1.00 0.00 H new ATOM 0 HG23 THR A 79 27.190 -22.776 -11.102 1.00 0.00 H new ATOM 1278 N GLY A 80 27.516 -20.815 -14.290 1.00 0.00 N ATOM 1279 CA GLY A 80 27.774 -20.664 -15.712 1.00 0.00 C ATOM 1280 C GLY A 80 26.936 -21.650 -16.529 1.00 0.00 C ATOM 1281 O GLY A 80 25.711 -21.543 -16.574 1.00 0.00 O ATOM 0 H GLY A 80 28.035 -21.569 -13.840 1.00 0.00 H new ATOM 0 HA2 GLY A 80 27.545 -19.644 -16.020 1.00 0.00 H new ATOM 0 HA3 GLY A 80 28.833 -20.828 -15.913 1.00 0.00 H new ATOM 1285 N THR A 81 27.630 -22.589 -17.156 1.00 0.00 N ATOM 1286 CA THR A 81 26.966 -23.594 -17.968 1.00 0.00 C ATOM 1287 C THR A 81 27.828 -24.854 -18.069 1.00 0.00 C ATOM 1288 O THR A 81 28.946 -24.889 -17.556 1.00 0.00 O ATOM 1289 CB THR A 81 26.647 -22.968 -19.327 1.00 0.00 C ATOM 1290 OG1 THR A 81 25.946 -21.770 -19.001 1.00 0.00 O ATOM 1291 CG2 THR A 81 25.631 -23.787 -20.126 1.00 0.00 C ATOM 0 H THR A 81 28.646 -22.675 -17.118 1.00 0.00 H new ATOM 0 HA THR A 81 26.029 -23.914 -17.512 1.00 0.00 H new ATOM 0 HB THR A 81 27.566 -22.867 -19.904 1.00 0.00 H new ATOM 0 HG1 THR A 81 25.399 -21.918 -18.201 1.00 0.00 H new ATOM 0 HG21 THR A 81 25.441 -23.298 -21.082 1.00 0.00 H new ATOM 0 HG22 THR A 81 26.028 -24.787 -20.302 1.00 0.00 H new ATOM 0 HG23 THR A 81 24.700 -23.860 -19.564 1.00 0.00 H new ATOM 1299 N GLN A 82 27.276 -25.859 -18.732 1.00 0.00 N ATOM 1300 CA GLN A 82 27.980 -27.118 -18.906 1.00 0.00 C ATOM 1301 C GLN A 82 29.342 -26.879 -19.560 1.00 0.00 C ATOM 1302 O GLN A 82 29.663 -25.754 -19.938 1.00 0.00 O ATOM 1303 CB GLN A 82 27.145 -28.106 -19.723 1.00 0.00 C ATOM 1304 CG GLN A 82 27.105 -27.700 -21.198 1.00 0.00 C ATOM 1305 CD GLN A 82 25.692 -27.844 -21.768 1.00 0.00 C ATOM 1306 OE1 GLN A 82 24.866 -28.587 -21.266 1.00 0.00 O ATOM 1307 NE2 GLN A 82 25.463 -27.094 -22.842 1.00 0.00 N ATOM 0 H GLN A 82 26.349 -25.827 -19.156 1.00 0.00 H new ATOM 0 HA GLN A 82 28.143 -27.559 -17.922 1.00 0.00 H new ATOM 0 HB2 GLN A 82 27.565 -29.108 -19.629 1.00 0.00 H new ATOM 0 HB3 GLN A 82 26.131 -28.147 -19.325 1.00 0.00 H new ATOM 0 HG2 GLN A 82 27.440 -26.668 -21.304 1.00 0.00 H new ATOM 0 HG3 GLN A 82 27.796 -28.320 -21.769 1.00 0.00 H new ATOM 0 HE21 GLN A 82 26.200 -26.493 -23.211 1.00 0.00 H new ATOM 0 HE22 GLN A 82 24.550 -27.120 -23.297 1.00 0.00 H new ATOM 1316 N GLN A 83 30.106 -27.955 -19.673 1.00 0.00 N ATOM 1317 CA GLN A 83 31.426 -27.876 -20.275 1.00 0.00 C ATOM 1318 C GLN A 83 31.572 -28.930 -21.375 1.00 0.00 C ATOM 1319 O GLN A 83 30.931 -29.980 -21.323 1.00 0.00 O ATOM 1320 CB GLN A 83 32.521 -28.032 -19.219 1.00 0.00 C ATOM 1321 CG GLN A 83 33.833 -27.404 -19.691 1.00 0.00 C ATOM 1322 CD GLN A 83 33.721 -25.878 -19.748 1.00 0.00 C ATOM 1323 OE1 GLN A 83 33.533 -25.284 -20.797 1.00 0.00 O ATOM 1324 NE2 GLN A 83 33.849 -25.282 -18.567 1.00 0.00 N ATOM 0 H GLN A 83 29.836 -28.887 -19.358 1.00 0.00 H new ATOM 0 HA GLN A 83 31.539 -26.890 -20.726 1.00 0.00 H new ATOM 0 HB2 GLN A 83 32.203 -27.562 -18.288 1.00 0.00 H new ATOM 0 HB3 GLN A 83 32.676 -29.089 -19.005 1.00 0.00 H new ATOM 0 HG2 GLN A 83 34.640 -27.688 -19.016 1.00 0.00 H new ATOM 0 HG3 GLN A 83 34.091 -27.790 -20.677 1.00 0.00 H new ATOM 0 HE21 GLN A 83 34.005 -25.841 -17.728 1.00 0.00 H new ATOM 0 HE22 GLN A 83 33.791 -24.266 -18.500 1.00 0.00 H new ATOM 1333 N SER A 84 32.418 -28.614 -22.344 1.00 0.00 N ATOM 1334 CA SER A 84 32.656 -29.520 -23.455 1.00 0.00 C ATOM 1335 C SER A 84 33.676 -28.911 -24.418 1.00 0.00 C ATOM 1336 O SER A 84 33.949 -27.713 -24.363 1.00 0.00 O ATOM 1337 CB SER A 84 31.355 -29.840 -24.194 1.00 0.00 C ATOM 1338 OG SER A 84 30.700 -28.662 -24.658 1.00 0.00 O ATOM 0 H SER A 84 32.947 -27.743 -22.383 1.00 0.00 H new ATOM 0 HA SER A 84 33.054 -30.453 -23.055 1.00 0.00 H new ATOM 0 HB2 SER A 84 31.570 -30.492 -25.040 1.00 0.00 H new ATOM 0 HB3 SER A 84 30.687 -30.389 -23.530 1.00 0.00 H new ATOM 0 HG SER A 84 29.875 -28.909 -25.126 1.00 0.00 H new ATOM 1344 N THR A 85 34.213 -29.764 -25.279 1.00 0.00 N ATOM 1345 CA THR A 85 35.197 -29.325 -26.253 1.00 0.00 C ATOM 1346 C THR A 85 34.725 -29.647 -27.672 1.00 0.00 C ATOM 1347 O THR A 85 33.728 -30.343 -27.855 1.00 0.00 O ATOM 1348 CB THR A 85 36.537 -29.974 -25.897 1.00 0.00 C ATOM 1349 OG1 THR A 85 36.901 -29.362 -24.663 1.00 0.00 O ATOM 1350 CG2 THR A 85 37.656 -29.570 -26.858 1.00 0.00 C ATOM 0 H THR A 85 33.985 -30.757 -25.322 1.00 0.00 H new ATOM 0 HA THR A 85 35.325 -28.243 -26.225 1.00 0.00 H new ATOM 0 HB THR A 85 36.428 -31.059 -25.902 1.00 0.00 H new ATOM 0 HG1 THR A 85 37.758 -29.726 -24.358 1.00 0.00 H new ATOM 0 HG21 THR A 85 38.584 -30.058 -26.561 1.00 0.00 H new ATOM 0 HG22 THR A 85 37.394 -29.876 -27.871 1.00 0.00 H new ATOM 0 HG23 THR A 85 37.788 -28.488 -26.828 1.00 0.00 H new ATOM 1358 N ASN A 86 35.462 -29.123 -28.640 1.00 0.00 N ATOM 1359 CA ASN A 86 35.130 -29.345 -30.037 1.00 0.00 C ATOM 1360 C ASN A 86 35.818 -30.623 -30.523 1.00 0.00 C ATOM 1361 O ASN A 86 36.678 -31.169 -29.835 1.00 0.00 O ATOM 1362 CB ASN A 86 35.616 -28.187 -30.909 1.00 0.00 C ATOM 1363 CG ASN A 86 37.066 -27.826 -30.584 1.00 0.00 C ATOM 1364 OD1 ASN A 86 38.006 -28.477 -31.011 1.00 0.00 O ATOM 1365 ND2 ASN A 86 37.196 -26.754 -29.809 1.00 0.00 N ATOM 0 H ASN A 86 36.288 -28.545 -28.485 1.00 0.00 H new ATOM 0 HA ASN A 86 34.046 -29.427 -30.117 1.00 0.00 H new ATOM 0 HB2 ASN A 86 35.533 -28.460 -31.961 1.00 0.00 H new ATOM 0 HB3 ASN A 86 34.978 -27.317 -30.754 1.00 0.00 H new ATOM 0 HD21 ASN A 86 38.124 -26.431 -29.537 1.00 0.00 H new ATOM 0 HD22 ASN A 86 36.367 -26.255 -29.486 1.00 0.00 H new ATOM 1372 N THR A 87 35.411 -31.062 -31.705 1.00 0.00 N ATOM 1373 CA THR A 87 35.978 -32.266 -32.290 1.00 0.00 C ATOM 1374 C THR A 87 37.029 -31.904 -33.342 1.00 0.00 C ATOM 1375 O THR A 87 37.226 -30.729 -33.649 1.00 0.00 O ATOM 1376 CB THR A 87 34.827 -33.107 -32.846 1.00 0.00 C ATOM 1377 OG1 THR A 87 34.194 -32.250 -33.792 1.00 0.00 O ATOM 1378 CG2 THR A 87 33.742 -33.377 -31.802 1.00 0.00 C ATOM 0 H THR A 87 34.697 -30.607 -32.273 1.00 0.00 H new ATOM 0 HA THR A 87 36.503 -32.860 -31.542 1.00 0.00 H new ATOM 0 HB THR A 87 35.217 -34.055 -33.217 1.00 0.00 H new ATOM 0 HG1 THR A 87 33.437 -32.718 -34.202 1.00 0.00 H new ATOM 0 HG21 THR A 87 32.949 -33.977 -32.248 1.00 0.00 H new ATOM 0 HG22 THR A 87 34.174 -33.916 -30.959 1.00 0.00 H new ATOM 0 HG23 THR A 87 33.328 -32.430 -31.454 1.00 0.00 H new ATOM 1386 N ALA A 88 37.675 -32.935 -33.866 1.00 0.00 N ATOM 1387 CA ALA A 88 38.700 -32.741 -34.876 1.00 0.00 C ATOM 1388 C ALA A 88 39.201 -34.104 -35.358 1.00 0.00 C ATOM 1389 O ALA A 88 40.022 -34.736 -34.695 1.00 0.00 O ATOM 1390 CB ALA A 88 39.824 -31.875 -34.303 1.00 0.00 C ATOM 0 H ALA A 88 37.508 -33.908 -33.610 1.00 0.00 H new ATOM 0 HA ALA A 88 38.293 -32.216 -35.740 1.00 0.00 H new ATOM 0 HB1 ALA A 88 40.594 -31.729 -35.061 1.00 0.00 H new ATOM 0 HB2 ALA A 88 39.421 -30.907 -34.004 1.00 0.00 H new ATOM 0 HB3 ALA A 88 40.259 -32.371 -33.435 1.00 0.00 H new ATOM 1396 N VAL A 89 38.687 -34.515 -36.507 1.00 0.00 N ATOM 1397 CA VAL A 89 39.072 -35.791 -37.085 1.00 0.00 C ATOM 1398 C VAL A 89 39.052 -35.682 -38.611 1.00 0.00 C ATOM 1399 O VAL A 89 38.033 -35.326 -39.199 1.00 0.00 O ATOM 1400 CB VAL A 89 38.162 -36.902 -36.554 1.00 0.00 C ATOM 1401 CG1 VAL A 89 36.694 -36.607 -36.871 1.00 0.00 C ATOM 1402 CG2 VAL A 89 38.580 -38.265 -37.109 1.00 0.00 C ATOM 0 H VAL A 89 38.007 -33.987 -37.054 1.00 0.00 H new ATOM 0 HA VAL A 89 40.089 -36.052 -36.791 1.00 0.00 H new ATOM 0 HB VAL A 89 38.270 -36.934 -35.470 1.00 0.00 H new ATOM 0 HG11 VAL A 89 36.069 -37.411 -36.483 1.00 0.00 H new ATOM 0 HG12 VAL A 89 36.403 -35.665 -36.406 1.00 0.00 H new ATOM 0 HG13 VAL A 89 36.562 -36.534 -37.951 1.00 0.00 H new ATOM 0 HG21 VAL A 89 37.918 -39.036 -36.716 1.00 0.00 H new ATOM 0 HG22 VAL A 89 38.515 -38.250 -38.197 1.00 0.00 H new ATOM 0 HG23 VAL A 89 39.606 -38.481 -36.810 1.00 0.00 H new ATOM 1412 N THR A 90 40.193 -35.994 -39.208 1.00 0.00 N ATOM 1413 CA THR A 90 40.320 -35.935 -40.655 1.00 0.00 C ATOM 1414 C THR A 90 40.668 -37.316 -41.216 1.00 0.00 C ATOM 1415 O THR A 90 41.303 -38.123 -40.540 1.00 0.00 O ATOM 1416 CB THR A 90 41.357 -34.863 -40.995 1.00 0.00 C ATOM 1417 OG1 THR A 90 40.773 -33.653 -40.522 1.00 0.00 O ATOM 1418 CG2 THR A 90 41.499 -34.642 -42.503 1.00 0.00 C ATOM 0 H THR A 90 41.037 -36.288 -38.717 1.00 0.00 H new ATOM 0 HA THR A 90 39.377 -35.656 -41.124 1.00 0.00 H new ATOM 0 HB THR A 90 42.323 -35.147 -40.577 1.00 0.00 H new ATOM 0 HG1 THR A 90 41.380 -32.905 -40.701 1.00 0.00 H new ATOM 0 HG21 THR A 90 42.247 -33.871 -42.689 1.00 0.00 H new ATOM 0 HG22 THR A 90 41.810 -35.572 -42.979 1.00 0.00 H new ATOM 0 HG23 THR A 90 40.541 -34.325 -42.916 1.00 0.00 H new ATOM 1426 N LEU A 91 40.236 -37.544 -42.448 1.00 0.00 N ATOM 1427 CA LEU A 91 40.493 -38.812 -43.108 1.00 0.00 C ATOM 1428 C LEU A 91 41.557 -38.614 -44.189 1.00 0.00 C ATOM 1429 O LEU A 91 41.765 -37.497 -44.662 1.00 0.00 O ATOM 1430 CB LEU A 91 39.190 -39.418 -43.632 1.00 0.00 C ATOM 1431 CG LEU A 91 39.300 -40.235 -44.921 1.00 0.00 C ATOM 1432 CD1 LEU A 91 39.905 -41.613 -44.648 1.00 0.00 C ATOM 1433 CD2 LEU A 91 37.945 -40.333 -45.625 1.00 0.00 C ATOM 0 H LEU A 91 39.710 -36.872 -43.006 1.00 0.00 H new ATOM 0 HA LEU A 91 40.891 -39.536 -42.397 1.00 0.00 H new ATOM 0 HB2 LEU A 91 38.772 -40.058 -42.855 1.00 0.00 H new ATOM 0 HB3 LEU A 91 38.478 -38.610 -43.797 1.00 0.00 H new ATOM 0 HG LEU A 91 39.978 -39.715 -45.598 1.00 0.00 H new ATOM 0 HD11 LEU A 91 39.972 -42.172 -45.581 1.00 0.00 H new ATOM 0 HD12 LEU A 91 40.902 -41.495 -44.224 1.00 0.00 H new ATOM 0 HD13 LEU A 91 39.273 -42.155 -43.944 1.00 0.00 H new ATOM 0 HD21 LEU A 91 38.051 -40.919 -46.538 1.00 0.00 H new ATOM 0 HD22 LEU A 91 37.226 -40.818 -44.964 1.00 0.00 H new ATOM 0 HD23 LEU A 91 37.591 -39.333 -45.875 1.00 0.00 H new ATOM 1445 N THR A 92 42.202 -39.713 -44.549 1.00 0.00 N ATOM 1446 CA THR A 92 43.239 -39.673 -45.567 1.00 0.00 C ATOM 1447 C THR A 92 44.209 -38.521 -45.295 1.00 0.00 C ATOM 1448 O THR A 92 44.119 -37.859 -44.262 1.00 0.00 O ATOM 1449 CB THR A 92 42.557 -39.584 -46.934 1.00 0.00 C ATOM 1450 OG1 THR A 92 43.640 -39.549 -47.860 1.00 0.00 O ATOM 1451 CG2 THR A 92 41.843 -38.247 -47.146 1.00 0.00 C ATOM 0 H THR A 92 42.027 -40.637 -44.154 1.00 0.00 H new ATOM 0 HA THR A 92 43.846 -40.578 -45.549 1.00 0.00 H new ATOM 0 HB THR A 92 41.840 -40.399 -47.036 1.00 0.00 H new ATOM 0 HG1 THR A 92 43.288 -39.493 -48.773 1.00 0.00 H new ATOM 0 HG21 THR A 92 41.376 -38.236 -48.131 1.00 0.00 H new ATOM 0 HG22 THR A 92 41.078 -38.118 -46.380 1.00 0.00 H new ATOM 0 HG23 THR A 92 42.566 -37.434 -47.078 1.00 0.00 H new ATOM 1459 N GLY A 93 45.114 -38.318 -46.240 1.00 0.00 N ATOM 1460 CA GLY A 93 46.100 -37.257 -46.116 1.00 0.00 C ATOM 1461 C GLY A 93 47.445 -37.811 -45.642 1.00 0.00 C ATOM 1462 O GLY A 93 48.212 -37.111 -44.984 1.00 0.00 O ATOM 0 H GLY A 93 45.186 -38.870 -47.095 1.00 0.00 H new ATOM 0 HA2 GLY A 93 46.226 -36.759 -47.077 1.00 0.00 H new ATOM 0 HA3 GLY A 93 45.744 -36.505 -45.412 1.00 0.00 H new TER 1466 GLY A 93