USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 558 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 GLY N :NH3+ -137:sc= 0.00859 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 30:sc= 0.23 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -70:sc= -0.245 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 18 GLN : amide:sc= -2.72 K(o=-2.7,f=-4.8!) USER MOD Single : A 24 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.4) USER MOD Single : A 25 TYR OH : rot -160:sc= 1.17 USER MOD Single : A 29 ASN : amide:sc= -2.75! C(o=-2.7!,f=-10!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.356 F(o=-1.2,f=-0.36) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.101 USER MOD Single : A 36 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -132:sc= -5.37 (180deg=-8.65!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -140:sc= 0.102 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.443 F(o=-1.6,f=-0.44) USER MOD Single : A 49 LYS NZ :NH3+ -128:sc= -0.012 (180deg=-1.04) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.344 F(o=-1.4!,f=-0.34) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 58 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= -0.188 (180deg=-0.751) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 42:sc= 0.834 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.890 19.285 -25.652 1.00 0.00 N ATOM 2 CA GLY A 1 -10.815 19.565 -24.718 1.00 0.00 C ATOM 3 C GLY A 1 -9.544 20.009 -25.414 1.00 0.00 C ATOM 4 O GLY A 1 -9.592 20.746 -26.398 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.779 19.685 -25.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.669 19.713 -26.574 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.993 18.256 -25.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.135 20.341 -24.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.609 18.672 -24.127 1.00 0.00 H new ATOM 8 N SER A 2 -8.403 19.560 -24.901 1.00 0.00 N ATOM 9 CA SER A 2 -7.112 19.919 -25.477 1.00 0.00 C ATOM 10 C SER A 2 -6.507 18.741 -26.234 1.00 0.00 C ATOM 11 O SER A 2 -6.041 18.888 -27.364 1.00 0.00 O ATOM 12 CB SER A 2 -6.151 20.382 -24.379 1.00 0.00 C ATOM 13 OG SER A 2 -6.323 21.761 -24.100 1.00 0.00 O ATOM 0 H SER A 2 -8.346 18.947 -24.088 1.00 0.00 H new ATOM 0 HA SER A 2 -7.271 20.736 -26.180 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.321 19.800 -23.473 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.123 20.196 -24.689 1.00 0.00 H new ATOM 0 HG SER A 2 -5.699 22.032 -23.394 1.00 0.00 H new ATOM 19 N SER A 3 -6.519 17.571 -25.602 1.00 0.00 N ATOM 20 CA SER A 3 -5.968 16.367 -26.214 1.00 0.00 C ATOM 21 C SER A 3 -7.004 15.247 -26.236 1.00 0.00 C ATOM 22 O SER A 3 -7.398 14.772 -27.300 1.00 0.00 O ATOM 23 CB SER A 3 -4.721 15.909 -25.455 1.00 0.00 C ATOM 24 OG SER A 3 -4.985 15.785 -24.068 1.00 0.00 O ATOM 0 H SER A 3 -6.904 17.431 -24.668 1.00 0.00 H new ATOM 0 HA SER A 3 -5.692 16.604 -27.242 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.382 14.952 -25.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.913 16.623 -25.612 1.00 0.00 H new ATOM 0 HG SER A 3 -4.173 15.489 -23.606 1.00 0.00 H new ATOM 30 N GLY A 4 -7.441 14.830 -25.051 1.00 0.00 N ATOM 31 CA GLY A 4 -8.427 13.769 -24.955 1.00 0.00 C ATOM 32 C GLY A 4 -8.361 13.034 -23.631 1.00 0.00 C ATOM 33 O GLY A 4 -9.304 13.079 -22.841 1.00 0.00 O ATOM 0 H GLY A 4 -7.130 15.208 -24.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.424 14.191 -25.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.274 13.060 -25.769 1.00 0.00 H new ATOM 37 N SER A 5 -7.245 12.354 -23.388 1.00 0.00 N ATOM 38 CA SER A 5 -7.062 11.601 -22.153 1.00 0.00 C ATOM 39 C SER A 5 -5.636 11.070 -22.047 1.00 0.00 C ATOM 40 O SER A 5 -5.093 10.523 -23.007 1.00 0.00 O ATOM 41 CB SER A 5 -8.058 10.442 -22.085 1.00 0.00 C ATOM 42 OG SER A 5 -7.879 9.553 -23.175 1.00 0.00 O ATOM 0 H SER A 5 -6.454 12.309 -24.030 1.00 0.00 H new ATOM 0 HA SER A 5 -7.243 12.274 -21.315 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.930 9.903 -21.147 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.076 10.832 -22.092 1.00 0.00 H new ATOM 0 HG SER A 5 -8.526 8.820 -23.109 1.00 0.00 H new ATOM 48 N SER A 6 -5.036 11.234 -20.872 1.00 0.00 N ATOM 49 CA SER A 6 -3.672 10.774 -20.640 1.00 0.00 C ATOM 50 C SER A 6 -3.620 9.253 -20.543 1.00 0.00 C ATOM 51 O SER A 6 -4.304 8.649 -19.717 1.00 0.00 O ATOM 52 CB SER A 6 -3.112 11.398 -19.361 1.00 0.00 C ATOM 53 OG SER A 6 -3.957 11.138 -18.254 1.00 0.00 O ATOM 0 H SER A 6 -5.473 11.682 -20.066 1.00 0.00 H new ATOM 0 HA SER A 6 -3.061 11.087 -21.486 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.117 11.000 -19.164 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.004 12.474 -19.495 1.00 0.00 H new ATOM 0 HG SER A 6 -4.419 10.284 -18.388 1.00 0.00 H new ATOM 59 N GLY A 7 -2.803 8.639 -21.393 1.00 0.00 N ATOM 60 CA GLY A 7 -2.677 7.193 -21.387 1.00 0.00 C ATOM 61 C GLY A 7 -1.236 6.736 -21.500 1.00 0.00 C ATOM 62 O GLY A 7 -0.667 6.714 -22.592 1.00 0.00 O ATOM 0 H GLY A 7 -2.226 9.117 -22.085 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.109 6.798 -20.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.253 6.778 -22.214 1.00 0.00 H new ATOM 66 N LYS A 8 -0.642 6.373 -20.368 1.00 0.00 N ATOM 67 CA LYS A 8 0.742 5.915 -20.343 1.00 0.00 C ATOM 68 C LYS A 8 0.840 4.509 -19.760 1.00 0.00 C ATOM 69 O LYS A 8 1.398 3.606 -20.384 1.00 0.00 O ATOM 70 CB LYS A 8 1.605 6.879 -19.524 1.00 0.00 C ATOM 71 CG LYS A 8 1.915 8.180 -20.244 1.00 0.00 C ATOM 72 CD LYS A 8 0.822 9.212 -20.025 1.00 0.00 C ATOM 73 CE LYS A 8 0.970 9.903 -18.678 1.00 0.00 C ATOM 74 NZ LYS A 8 1.998 10.980 -18.718 1.00 0.00 N ATOM 0 H LYS A 8 -1.098 6.387 -19.456 1.00 0.00 H new ATOM 0 HA LYS A 8 1.108 5.890 -21.369 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.094 7.104 -18.588 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.541 6.385 -19.265 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.867 8.576 -19.889 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.027 7.989 -21.311 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.856 9.955 -20.822 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.153 8.728 -20.082 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.011 10.327 -18.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.243 9.168 -17.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.069 11.427 -17.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.919 10.572 -18.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.725 11.695 -19.423 1.00 0.00 H new ATOM 88 N ARG A 9 0.292 4.330 -18.563 1.00 0.00 N ATOM 89 CA ARG A 9 0.317 3.033 -17.897 1.00 0.00 C ATOM 90 C ARG A 9 -0.399 1.978 -18.735 1.00 0.00 C ATOM 91 O ARG A 9 -1.288 2.280 -19.531 1.00 0.00 O ATOM 92 CB ARG A 9 -0.334 3.132 -16.516 1.00 0.00 C ATOM 93 CG ARG A 9 0.457 3.974 -15.528 1.00 0.00 C ATOM 94 CD ARG A 9 0.181 3.554 -14.093 1.00 0.00 C ATOM 95 NE ARG A 9 -1.108 4.048 -13.617 1.00 0.00 N ATOM 96 CZ ARG A 9 -1.286 5.259 -13.101 1.00 0.00 C ATOM 97 NH1 ARG A 9 -0.262 6.095 -12.995 1.00 0.00 N ATOM 98 NH2 ARG A 9 -2.490 5.636 -12.689 1.00 0.00 N ATOM 0 H ARG A 9 -0.175 5.067 -18.034 1.00 0.00 H new ATOM 0 HA ARG A 9 1.358 2.733 -17.779 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.332 3.556 -16.624 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.456 2.128 -16.109 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.522 3.878 -15.738 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.200 5.025 -15.657 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.201 2.466 -14.023 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.974 3.929 -13.446 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.916 3.429 -13.684 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.665 5.809 -13.310 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.401 7.024 -12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.280 4.996 -12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.625 6.566 -12.293 1.00 0.00 H new ATOM 112 N PRO A 10 -0.004 0.709 -18.553 1.00 0.00 N ATOM 113 CA PRO A 10 -0.594 -0.416 -19.283 1.00 0.00 C ATOM 114 C PRO A 10 -2.029 -0.698 -18.850 1.00 0.00 C ATOM 115 O PRO A 10 -2.523 -0.114 -17.886 1.00 0.00 O ATOM 116 CB PRO A 10 0.315 -1.592 -18.918 1.00 0.00 C ATOM 117 CG PRO A 10 0.905 -1.221 -17.601 1.00 0.00 C ATOM 118 CD PRO A 10 1.050 0.276 -17.620 1.00 0.00 C ATOM 0 HA PRO A 10 -0.652 -0.221 -20.354 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.249 -2.522 -18.851 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.089 -1.742 -19.670 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.262 -1.541 -16.781 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.871 -1.705 -17.456 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.910 0.706 -16.628 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.039 0.580 -17.962 1.00 0.00 H new ATOM 126 N ARG A 11 -2.693 -1.597 -19.570 1.00 0.00 N ATOM 127 CA ARG A 11 -4.072 -1.956 -19.260 1.00 0.00 C ATOM 128 C ARG A 11 -4.266 -2.121 -17.756 1.00 0.00 C ATOM 129 O ARG A 11 -5.146 -1.498 -17.160 1.00 0.00 O ATOM 130 CB ARG A 11 -4.459 -3.249 -19.980 1.00 0.00 C ATOM 131 CG ARG A 11 -4.988 -3.028 -21.388 1.00 0.00 C ATOM 132 CD ARG A 11 -5.680 -4.271 -21.924 1.00 0.00 C ATOM 133 NE ARG A 11 -6.967 -4.505 -21.275 1.00 0.00 N ATOM 134 CZ ARG A 11 -7.654 -5.636 -21.391 1.00 0.00 C ATOM 135 NH1 ARG A 11 -7.180 -6.631 -22.126 1.00 0.00 N ATOM 136 NH2 ARG A 11 -8.819 -5.772 -20.769 1.00 0.00 N ATOM 0 H ARG A 11 -2.299 -2.090 -20.371 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.718 -1.149 -19.606 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.588 -3.903 -20.027 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.217 -3.768 -19.394 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.688 -2.192 -21.388 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.165 -2.755 -22.048 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.830 -4.167 -22.999 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.036 -5.137 -21.774 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.360 -3.759 -20.701 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.285 -6.530 -22.605 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.710 -7.498 -22.213 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.187 -5.008 -20.202 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.346 -6.640 -20.858 1.00 0.00 H new ATOM 150 N THR A 12 -3.439 -2.964 -17.146 1.00 0.00 N ATOM 151 CA THR A 12 -3.521 -3.212 -15.712 1.00 0.00 C ATOM 152 C THR A 12 -3.754 -1.918 -14.942 1.00 0.00 C ATOM 153 O THR A 12 -3.470 -0.828 -15.441 1.00 0.00 O ATOM 154 CB THR A 12 -2.240 -3.886 -15.185 1.00 0.00 C ATOM 155 OG1 THR A 12 -1.088 -3.151 -15.614 1.00 0.00 O ATOM 156 CG2 THR A 12 -2.143 -5.323 -15.676 1.00 0.00 C ATOM 0 H THR A 12 -2.704 -3.487 -17.623 1.00 0.00 H new ATOM 0 HA THR A 12 -4.367 -3.882 -15.555 1.00 0.00 H new ATOM 0 HB THR A 12 -2.281 -3.893 -14.096 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.970 -3.263 -16.580 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.230 -5.778 -15.291 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.007 -5.887 -15.323 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.122 -5.335 -16.766 1.00 0.00 H new ATOM 164 N ARG A 13 -4.272 -2.044 -13.725 1.00 0.00 N ATOM 165 CA ARG A 13 -4.544 -0.882 -12.887 1.00 0.00 C ATOM 166 C ARG A 13 -4.775 -1.300 -11.437 1.00 0.00 C ATOM 167 O ARG A 13 -5.492 -2.264 -11.166 1.00 0.00 O ATOM 168 CB ARG A 13 -5.764 -0.123 -13.410 1.00 0.00 C ATOM 169 CG ARG A 13 -5.739 1.364 -13.093 1.00 0.00 C ATOM 170 CD ARG A 13 -6.860 2.104 -13.805 1.00 0.00 C ATOM 171 NE ARG A 13 -6.965 3.493 -13.363 1.00 0.00 N ATOM 172 CZ ARG A 13 -7.922 4.321 -13.766 1.00 0.00 C ATOM 173 NH1 ARG A 13 -8.851 3.904 -14.614 1.00 0.00 N ATOM 174 NH2 ARG A 13 -7.951 5.570 -13.319 1.00 0.00 N ATOM 0 H ARG A 13 -4.512 -2.938 -13.297 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.674 -0.227 -12.925 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.827 -0.254 -14.490 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.665 -0.562 -12.982 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.832 1.509 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.778 1.784 -13.390 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.686 2.078 -14.881 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.805 1.593 -13.623 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.266 3.846 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.833 2.944 -14.959 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.585 4.543 -14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.238 5.895 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.686 6.206 -13.629 1.00 0.00 H new ATOM 188 N ILE A 14 -4.163 -0.570 -10.512 1.00 0.00 N ATOM 189 CA ILE A 14 -4.303 -0.865 -9.091 1.00 0.00 C ATOM 190 C ILE A 14 -5.527 -0.171 -8.503 1.00 0.00 C ATOM 191 O ILE A 14 -5.831 0.972 -8.845 1.00 0.00 O ATOM 192 CB ILE A 14 -3.054 -0.433 -8.301 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.797 -1.060 -8.908 1.00 0.00 C ATOM 194 CG2 ILE A 14 -3.192 -0.823 -6.837 1.00 0.00 C ATOM 195 CD1 ILE A 14 -0.514 -0.394 -8.463 1.00 0.00 C ATOM 0 H ILE A 14 -3.565 0.230 -10.720 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.423 -1.945 -9.004 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.962 0.651 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.761 -2.116 -8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.865 -1.010 -9.995 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.301 -0.511 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.068 -0.334 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.306 -1.904 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.335 -0.890 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.528 0.656 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.423 -0.467 -7.379 1.00 0.00 H new ATOM 207 N THR A 15 -6.227 -0.870 -7.615 1.00 0.00 N ATOM 208 CA THR A 15 -7.418 -0.322 -6.979 1.00 0.00 C ATOM 209 C THR A 15 -7.112 0.168 -5.568 1.00 0.00 C ATOM 210 O THR A 15 -6.035 -0.091 -5.031 1.00 0.00 O ATOM 211 CB THR A 15 -8.551 -1.364 -6.913 1.00 0.00 C ATOM 212 OG1 THR A 15 -9.750 -0.755 -6.422 1.00 0.00 O ATOM 213 CG2 THR A 15 -8.162 -2.529 -6.015 1.00 0.00 C ATOM 0 H THR A 15 -5.989 -1.817 -7.320 1.00 0.00 H new ATOM 0 HA THR A 15 -7.743 0.519 -7.591 1.00 0.00 H new ATOM 0 HB THR A 15 -8.725 -1.744 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.465 -1.424 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.977 -3.252 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.266 -3.009 -6.409 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.964 -2.162 -5.008 1.00 0.00 H new ATOM 221 N ASP A 16 -8.066 0.876 -4.973 1.00 0.00 N ATOM 222 CA ASP A 16 -7.898 1.400 -3.622 1.00 0.00 C ATOM 223 C ASP A 16 -7.719 0.267 -2.617 1.00 0.00 C ATOM 224 O ASP A 16 -7.045 0.427 -1.599 1.00 0.00 O ATOM 225 CB ASP A 16 -9.103 2.259 -3.233 1.00 0.00 C ATOM 226 CG ASP A 16 -9.397 3.340 -4.254 1.00 0.00 C ATOM 227 OD1 ASP A 16 -8.435 3.937 -4.781 1.00 0.00 O ATOM 228 OD2 ASP A 16 -10.590 3.589 -4.526 1.00 0.00 O ATOM 0 H ASP A 16 -8.963 1.100 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.000 2.018 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.980 1.621 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.919 2.720 -2.263 1.00 0.00 H new ATOM 233 N ASP A 17 -8.327 -0.877 -2.909 1.00 0.00 N ATOM 234 CA ASP A 17 -8.235 -2.038 -2.031 1.00 0.00 C ATOM 235 C ASP A 17 -6.842 -2.658 -2.094 1.00 0.00 C ATOM 236 O ASP A 17 -6.391 -3.290 -1.139 1.00 0.00 O ATOM 237 CB ASP A 17 -9.287 -3.079 -2.415 1.00 0.00 C ATOM 238 CG ASP A 17 -10.686 -2.496 -2.471 1.00 0.00 C ATOM 239 OD1 ASP A 17 -11.065 -1.968 -3.537 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.400 -2.566 -1.449 1.00 0.00 O ATOM 0 H ASP A 17 -8.889 -1.026 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.420 -1.706 -1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.035 -3.505 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.266 -3.896 -1.694 1.00 0.00 H new ATOM 245 N GLN A 18 -6.168 -2.472 -3.224 1.00 0.00 N ATOM 246 CA GLN A 18 -4.827 -3.014 -3.410 1.00 0.00 C ATOM 247 C GLN A 18 -3.768 -2.019 -2.947 1.00 0.00 C ATOM 248 O GLN A 18 -2.815 -2.387 -2.258 1.00 0.00 O ATOM 249 CB GLN A 18 -4.599 -3.373 -4.880 1.00 0.00 C ATOM 250 CG GLN A 18 -5.251 -4.682 -5.295 1.00 0.00 C ATOM 251 CD GLN A 18 -4.548 -5.338 -6.467 1.00 0.00 C ATOM 252 OE1 GLN A 18 -4.129 -6.493 -6.387 1.00 0.00 O ATOM 253 NE2 GLN A 18 -4.416 -4.603 -7.565 1.00 0.00 N ATOM 0 H GLN A 18 -6.528 -1.951 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.740 -3.916 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.987 -2.569 -5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.527 -3.435 -5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.253 -5.367 -4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.293 -4.497 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.778 -3.650 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.952 -4.992 -8.386 1.00 0.00 H new ATOM 262 N LEU A 19 -3.940 -0.759 -3.330 1.00 0.00 N ATOM 263 CA LEU A 19 -2.998 0.290 -2.954 1.00 0.00 C ATOM 264 C LEU A 19 -2.847 0.368 -1.439 1.00 0.00 C ATOM 265 O LEU A 19 -1.732 0.414 -0.918 1.00 0.00 O ATOM 266 CB LEU A 19 -3.463 1.640 -3.502 1.00 0.00 C ATOM 267 CG LEU A 19 -2.574 2.840 -3.174 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.255 2.749 -3.925 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.290 4.141 -3.505 1.00 0.00 C ATOM 0 H LEU A 19 -4.723 -0.439 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.027 0.045 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.546 1.560 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.464 1.839 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.361 2.828 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.636 3.612 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.735 1.835 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.447 2.735 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.642 4.984 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.534 4.162 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.207 4.210 -2.920 1.00 0.00 H new ATOM 281 N ARG A 20 -3.975 0.382 -0.736 1.00 0.00 N ATOM 282 CA ARG A 20 -3.968 0.454 0.720 1.00 0.00 C ATOM 283 C ARG A 20 -2.971 -0.540 1.308 1.00 0.00 C ATOM 284 O ARG A 20 -2.273 -0.237 2.276 1.00 0.00 O ATOM 285 CB ARG A 20 -5.367 0.176 1.272 1.00 0.00 C ATOM 286 CG ARG A 20 -5.914 -1.188 0.887 1.00 0.00 C ATOM 287 CD ARG A 20 -7.193 -1.510 1.645 1.00 0.00 C ATOM 288 NE ARG A 20 -6.922 -2.168 2.921 1.00 0.00 N ATOM 289 CZ ARG A 20 -6.496 -3.422 3.025 1.00 0.00 C ATOM 290 NH1 ARG A 20 -6.293 -4.149 1.936 1.00 0.00 N ATOM 291 NH2 ARG A 20 -6.272 -3.950 4.222 1.00 0.00 N ATOM 0 H ARG A 20 -4.906 0.344 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.665 1.461 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.342 0.254 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.050 0.946 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.109 -1.214 -0.185 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.165 -1.953 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.751 -0.590 1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.825 -2.153 1.033 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.068 -1.636 3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.464 -3.746 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.966 -5.112 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.427 -3.393 5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.945 -4.913 4.302 1.00 0.00 H new ATOM 305 N VAL A 21 -2.909 -1.729 0.717 1.00 0.00 N ATOM 306 CA VAL A 21 -1.997 -2.768 1.182 1.00 0.00 C ATOM 307 C VAL A 21 -0.544 -2.348 0.992 1.00 0.00 C ATOM 308 O VAL A 21 0.327 -2.710 1.784 1.00 0.00 O ATOM 309 CB VAL A 21 -2.237 -4.097 0.442 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.216 -5.139 0.871 1.00 0.00 C ATOM 311 CG2 VAL A 21 -3.654 -4.595 0.688 1.00 0.00 C ATOM 0 H VAL A 21 -3.480 -1.997 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.195 -2.912 2.244 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.117 -3.924 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.401 -6.071 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.212 -4.782 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.301 -5.312 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.806 -5.535 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.804 -4.752 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.368 -3.855 0.327 1.00 0.00 H new ATOM 321 N LEU A 22 -0.288 -1.583 -0.064 1.00 0.00 N ATOM 322 CA LEU A 22 1.061 -1.113 -0.358 1.00 0.00 C ATOM 323 C LEU A 22 1.411 0.106 0.490 1.00 0.00 C ATOM 324 O LEU A 22 2.569 0.310 0.853 1.00 0.00 O ATOM 325 CB LEU A 22 1.189 -0.768 -1.843 1.00 0.00 C ATOM 326 CG LEU A 22 0.457 -1.696 -2.813 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.482 -1.123 -4.222 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.075 -3.086 -2.790 1.00 0.00 C ATOM 0 H LEU A 22 -0.997 -1.275 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 22 1.759 -1.914 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.819 0.246 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.247 -0.763 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.582 -1.777 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.044 -1.797 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.007 -0.149 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.515 -1.012 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.541 -3.733 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.123 -3.023 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.004 -3.499 -1.784 1.00 0.00 H new ATOM 340 N ARG A 23 0.401 0.910 0.805 1.00 0.00 N ATOM 341 CA ARG A 23 0.602 2.108 1.612 1.00 0.00 C ATOM 342 C ARG A 23 0.867 1.743 3.070 1.00 0.00 C ATOM 343 O ARG A 23 1.846 2.194 3.664 1.00 0.00 O ATOM 344 CB ARG A 23 -0.620 3.023 1.518 1.00 0.00 C ATOM 345 CG ARG A 23 -0.669 3.845 0.240 1.00 0.00 C ATOM 346 CD ARG A 23 0.162 5.112 0.361 1.00 0.00 C ATOM 347 NE ARG A 23 -0.334 5.993 1.416 1.00 0.00 N ATOM 348 CZ ARG A 23 0.071 7.248 1.576 1.00 0.00 C ATOM 349 NH1 ARG A 23 0.973 7.767 0.754 1.00 0.00 N ATOM 350 NH2 ARG A 23 -0.426 7.987 2.559 1.00 0.00 N ATOM 0 H ARG A 23 -0.564 0.754 0.514 1.00 0.00 H new ATOM 0 HA ARG A 23 1.473 2.636 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.523 2.417 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.625 3.698 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.302 3.246 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.703 4.107 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.199 4.847 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.152 5.644 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.029 5.624 2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.358 7.202 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.282 8.731 0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.120 7.592 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.114 8.950 2.681 1.00 0.00 H new ATOM 364 N GLN A 24 -0.012 0.924 3.638 1.00 0.00 N ATOM 365 CA GLN A 24 0.126 0.501 5.027 1.00 0.00 C ATOM 366 C GLN A 24 1.559 0.070 5.324 1.00 0.00 C ATOM 367 O GLN A 24 2.145 0.478 6.326 1.00 0.00 O ATOM 368 CB GLN A 24 -0.838 -0.648 5.330 1.00 0.00 C ATOM 369 CG GLN A 24 -2.301 -0.239 5.295 1.00 0.00 C ATOM 370 CD GLN A 24 -2.805 0.245 6.641 1.00 0.00 C ATOM 371 OE1 GLN A 24 -2.026 0.437 7.575 1.00 0.00 O ATOM 372 NE2 GLN A 24 -4.113 0.444 6.747 1.00 0.00 N ATOM 0 H GLN A 24 -0.827 0.540 3.159 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.119 1.350 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.675 -1.448 4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.607 -1.056 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.436 0.551 4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.904 -1.087 4.969 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.722 0.272 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.510 0.769 7.629 1.00 0.00 H new ATOM 381 N TYR A 25 2.116 -0.758 4.447 1.00 0.00 N ATOM 382 CA TYR A 25 3.479 -1.247 4.616 1.00 0.00 C ATOM 383 C TYR A 25 4.485 -0.104 4.511 1.00 0.00 C ATOM 384 O TYR A 25 5.516 -0.105 5.183 1.00 0.00 O ATOM 385 CB TYR A 25 3.794 -2.316 3.569 1.00 0.00 C ATOM 386 CG TYR A 25 3.230 -3.678 3.906 1.00 0.00 C ATOM 387 CD1 TYR A 25 1.858 -3.885 3.979 1.00 0.00 C ATOM 388 CD2 TYR A 25 4.069 -4.758 4.153 1.00 0.00 C ATOM 389 CE1 TYR A 25 1.338 -5.127 4.287 1.00 0.00 C ATOM 390 CE2 TYR A 25 3.558 -6.004 4.461 1.00 0.00 C ATOM 391 CZ TYR A 25 2.192 -6.183 4.527 1.00 0.00 C ATOM 392 OH TYR A 25 1.678 -7.423 4.834 1.00 0.00 O ATOM 0 H TYR A 25 1.644 -1.105 3.612 1.00 0.00 H new ATOM 0 HA TYR A 25 3.559 -1.687 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.398 -1.996 2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.875 -2.397 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.186 -3.060 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.139 -4.621 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.269 -5.270 4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.224 -6.833 4.649 1.00 0.00 H new ATOM 0 HH TYR A 25 2.367 -7.962 5.276 1.00 0.00 H new ATOM 402 N PHE A 26 4.176 0.870 3.662 1.00 0.00 N ATOM 403 CA PHE A 26 5.052 2.020 3.467 1.00 0.00 C ATOM 404 C PHE A 26 5.510 2.588 4.807 1.00 0.00 C ATOM 405 O PHE A 26 6.702 2.806 5.025 1.00 0.00 O ATOM 406 CB PHE A 26 4.333 3.104 2.660 1.00 0.00 C ATOM 407 CG PHE A 26 5.268 4.054 1.967 1.00 0.00 C ATOM 408 CD1 PHE A 26 6.197 3.588 1.051 1.00 0.00 C ATOM 409 CD2 PHE A 26 5.218 5.413 2.232 1.00 0.00 C ATOM 410 CE1 PHE A 26 7.059 4.459 0.411 1.00 0.00 C ATOM 411 CE2 PHE A 26 6.076 6.289 1.596 1.00 0.00 C ATOM 412 CZ PHE A 26 6.998 5.812 0.685 1.00 0.00 C ATOM 0 H PHE A 26 3.326 0.886 3.098 1.00 0.00 H new ATOM 0 HA PHE A 26 5.930 1.687 2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.694 2.628 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.681 3.669 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.248 2.531 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.500 5.792 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.778 4.083 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.026 7.346 1.811 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.670 6.495 0.188 1.00 0.00 H new ATOM 422 N ASP A 27 4.556 2.826 5.699 1.00 0.00 N ATOM 423 CA ASP A 27 4.861 3.368 7.018 1.00 0.00 C ATOM 424 C ASP A 27 5.836 2.464 7.766 1.00 0.00 C ATOM 425 O ASP A 27 6.920 2.895 8.160 1.00 0.00 O ATOM 426 CB ASP A 27 3.577 3.538 7.832 1.00 0.00 C ATOM 427 CG ASP A 27 3.712 4.593 8.913 1.00 0.00 C ATOM 428 OD1 ASP A 27 4.165 4.249 10.025 1.00 0.00 O ATOM 429 OD2 ASP A 27 3.366 5.763 8.646 1.00 0.00 O ATOM 0 H ASP A 27 3.565 2.652 5.533 1.00 0.00 H new ATOM 0 HA ASP A 27 5.329 4.343 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.760 3.809 7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.311 2.585 8.290 1.00 0.00 H new ATOM 434 N ILE A 28 5.443 1.209 7.957 1.00 0.00 N ATOM 435 CA ILE A 28 6.282 0.245 8.657 1.00 0.00 C ATOM 436 C ILE A 28 7.710 0.267 8.121 1.00 0.00 C ATOM 437 O ILE A 28 8.662 0.476 8.872 1.00 0.00 O ATOM 438 CB ILE A 28 5.721 -1.184 8.533 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.405 -1.308 9.303 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.736 -2.197 9.042 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.185 -0.983 8.469 1.00 0.00 C ATOM 0 H ILE A 28 4.549 0.836 7.637 1.00 0.00 H new ATOM 0 HA ILE A 28 6.287 0.535 9.708 1.00 0.00 H new ATOM 0 HB ILE A 28 5.525 -1.391 7.481 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.312 -2.324 9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.434 -0.642 10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.325 -3.202 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.651 -2.122 8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.960 -1.993 10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.288 -1.092 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.255 0.042 8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.132 -1.665 7.621 1.00 0.00 H new ATOM 453 N ASN A 29 7.850 0.053 6.817 1.00 0.00 N ATOM 454 CA ASN A 29 9.161 0.050 6.180 1.00 0.00 C ATOM 455 C ASN A 29 9.099 0.706 4.804 1.00 0.00 C ATOM 456 O ASN A 29 8.277 0.337 3.966 1.00 0.00 O ATOM 457 CB ASN A 29 9.686 -1.382 6.051 1.00 0.00 C ATOM 458 CG ASN A 29 10.930 -1.467 5.188 1.00 0.00 C ATOM 459 OD1 ASN A 29 11.424 -0.455 4.691 1.00 0.00 O ATOM 460 ND2 ASN A 29 11.441 -2.678 5.006 1.00 0.00 N ATOM 0 H ASN A 29 7.072 -0.121 6.181 1.00 0.00 H new ATOM 0 HA ASN A 29 9.843 0.625 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.908 -1.775 7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.907 -2.014 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.277 -2.798 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.998 -3.489 5.438 1.00 0.00 H new ATOM 467 N ASN A 30 9.974 1.680 4.578 1.00 0.00 N ATOM 468 CA ASN A 30 10.019 2.388 3.304 1.00 0.00 C ATOM 469 C ASN A 30 9.691 1.448 2.148 1.00 0.00 C ATOM 470 O ASN A 30 8.638 1.563 1.520 1.00 0.00 O ATOM 471 CB ASN A 30 11.399 3.013 3.092 1.00 0.00 C ATOM 472 CG ASN A 30 11.981 3.578 4.373 1.00 0.00 C ATOM 473 OD1 ASN A 30 11.125 4.163 5.204 1.00 0.00 O flip ATOM 474 ND2 ASN A 30 13.185 3.490 4.614 1.00 0.00 N flip ATOM 0 H ASN A 30 10.662 1.997 5.261 1.00 0.00 H new ATOM 0 HA ASN A 30 9.270 3.179 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.077 2.261 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.325 3.807 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.806 3.032 3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.561 3.875 5.480 1.00 0.00 H new ATOM 481 N SER A 31 10.600 0.518 1.873 1.00 0.00 N ATOM 482 CA SER A 31 10.409 -0.440 0.790 1.00 0.00 C ATOM 483 C SER A 31 10.265 -1.857 1.338 1.00 0.00 C ATOM 484 O SER A 31 10.898 -2.237 2.323 1.00 0.00 O ATOM 485 CB SER A 31 11.583 -0.377 -0.188 1.00 0.00 C ATOM 486 OG SER A 31 11.864 0.961 -0.562 1.00 0.00 O ATOM 0 H SER A 31 11.475 0.408 2.385 1.00 0.00 H new ATOM 0 HA SER A 31 9.492 -0.177 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.466 -0.823 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.353 -0.965 -1.076 1.00 0.00 H new ATOM 0 HG SER A 31 12.619 0.974 -1.186 1.00 0.00 H new ATOM 492 N PRO A 32 9.411 -2.659 0.684 1.00 0.00 N ATOM 493 CA PRO A 32 9.163 -4.047 1.087 1.00 0.00 C ATOM 494 C PRO A 32 10.364 -4.950 0.826 1.00 0.00 C ATOM 495 O PRO A 32 11.160 -4.693 -0.077 1.00 0.00 O ATOM 496 CB PRO A 32 7.980 -4.464 0.210 1.00 0.00 C ATOM 497 CG PRO A 32 8.065 -3.581 -0.987 1.00 0.00 C ATOM 498 CD PRO A 32 8.623 -2.273 -0.498 1.00 0.00 C ATOM 0 HA PRO A 32 8.970 -4.133 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.045 -5.516 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.033 -4.331 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.709 -4.019 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.083 -3.442 -1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.243 -1.793 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.831 -1.569 -0.241 1.00 0.00 H new ATOM 506 N SER A 33 10.487 -6.007 1.622 1.00 0.00 N ATOM 507 CA SER A 33 11.593 -6.946 1.479 1.00 0.00 C ATOM 508 C SER A 33 11.193 -8.127 0.601 1.00 0.00 C ATOM 509 O SER A 33 10.015 -8.466 0.498 1.00 0.00 O ATOM 510 CB SER A 33 12.045 -7.447 2.852 1.00 0.00 C ATOM 511 OG SER A 33 12.567 -8.762 2.769 1.00 0.00 O ATOM 0 H SER A 33 9.835 -6.235 2.372 1.00 0.00 H new ATOM 0 HA SER A 33 12.421 -6.424 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.803 -6.776 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.203 -7.430 3.544 1.00 0.00 H new ATOM 0 HG SER A 33 12.850 -9.058 3.659 1.00 0.00 H new ATOM 517 N GLU A 34 12.184 -8.750 -0.031 1.00 0.00 N ATOM 518 CA GLU A 34 11.935 -9.892 -0.902 1.00 0.00 C ATOM 519 C GLU A 34 10.875 -10.813 -0.302 1.00 0.00 C ATOM 520 O GLU A 34 10.192 -11.541 -1.021 1.00 0.00 O ATOM 521 CB GLU A 34 13.229 -10.673 -1.138 1.00 0.00 C ATOM 522 CG GLU A 34 14.310 -9.863 -1.835 1.00 0.00 C ATOM 523 CD GLU A 34 15.502 -10.708 -2.240 1.00 0.00 C ATOM 524 OE1 GLU A 34 16.005 -11.472 -1.390 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.933 -10.604 -3.407 1.00 0.00 O ATOM 0 H GLU A 34 13.165 -8.483 0.044 1.00 0.00 H new ATOM 0 HA GLU A 34 11.567 -9.515 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.611 -11.025 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.006 -11.557 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.888 -9.388 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.644 -9.064 -1.173 1.00 0.00 H new ATOM 532 N GLU A 35 10.746 -10.774 1.021 1.00 0.00 N ATOM 533 CA GLU A 35 9.772 -11.606 1.717 1.00 0.00 C ATOM 534 C GLU A 35 8.398 -10.941 1.727 1.00 0.00 C ATOM 535 O GLU A 35 7.375 -11.605 1.562 1.00 0.00 O ATOM 536 CB GLU A 35 10.231 -11.875 3.152 1.00 0.00 C ATOM 537 CG GLU A 35 11.307 -12.942 3.256 1.00 0.00 C ATOM 538 CD GLU A 35 10.752 -14.347 3.118 1.00 0.00 C ATOM 539 OE1 GLU A 35 9.911 -14.737 3.954 1.00 0.00 O ATOM 540 OE2 GLU A 35 11.159 -15.055 2.173 1.00 0.00 O ATOM 0 H GLU A 35 11.303 -10.176 1.631 1.00 0.00 H new ATOM 0 HA GLU A 35 9.694 -12.554 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.607 -10.948 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.371 -12.179 3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.056 -12.774 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.814 -12.849 4.216 1.00 0.00 H new ATOM 547 N GLN A 36 8.385 -9.626 1.923 1.00 0.00 N ATOM 548 CA GLN A 36 7.137 -8.872 1.956 1.00 0.00 C ATOM 549 C GLN A 36 6.549 -8.732 0.556 1.00 0.00 C ATOM 550 O GLN A 36 5.344 -8.892 0.360 1.00 0.00 O ATOM 551 CB GLN A 36 7.370 -7.489 2.566 1.00 0.00 C ATOM 552 CG GLN A 36 7.854 -7.532 4.006 1.00 0.00 C ATOM 553 CD GLN A 36 6.716 -7.619 5.003 1.00 0.00 C ATOM 554 OE1 GLN A 36 6.246 -6.603 5.516 1.00 0.00 O ATOM 555 NE2 GLN A 36 6.265 -8.836 5.282 1.00 0.00 N ATOM 0 H GLN A 36 9.223 -9.062 2.061 1.00 0.00 H new ATOM 0 HA GLN A 36 6.426 -9.419 2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.102 -6.953 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.441 -6.920 2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.514 -8.390 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.446 -6.640 4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.684 -9.651 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.499 -8.957 5.945 1.00 0.00 H new ATOM 564 N ILE A 37 7.406 -8.430 -0.413 1.00 0.00 N ATOM 565 CA ILE A 37 6.971 -8.269 -1.795 1.00 0.00 C ATOM 566 C ILE A 37 6.199 -9.494 -2.275 1.00 0.00 C ATOM 567 O ILE A 37 5.301 -9.388 -3.110 1.00 0.00 O ATOM 568 CB ILE A 37 8.165 -8.027 -2.737 1.00 0.00 C ATOM 569 CG1 ILE A 37 9.045 -6.897 -2.200 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.675 -7.702 -4.140 1.00 0.00 C ATOM 571 CD1 ILE A 37 10.181 -6.523 -3.126 1.00 0.00 C ATOM 0 H ILE A 37 8.406 -8.292 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 37 6.317 -7.397 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 37 8.763 -8.937 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.426 -6.017 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.456 -7.195 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.530 -7.533 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.085 -8.535 -4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.058 -6.804 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.763 -5.716 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.823 -7.390 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.777 -6.194 -4.083 1.00 0.00 H new ATOM 583 N LYS A 38 6.555 -10.657 -1.740 1.00 0.00 N ATOM 584 CA LYS A 38 5.895 -11.903 -2.110 1.00 0.00 C ATOM 585 C LYS A 38 4.587 -12.075 -1.344 1.00 0.00 C ATOM 586 O LYS A 38 3.536 -12.311 -1.938 1.00 0.00 O ATOM 587 CB LYS A 38 6.818 -13.093 -1.838 1.00 0.00 C ATOM 588 CG LYS A 38 6.484 -14.324 -2.664 1.00 0.00 C ATOM 589 CD LYS A 38 7.108 -14.253 -4.047 1.00 0.00 C ATOM 590 CE LYS A 38 6.883 -15.541 -4.826 1.00 0.00 C ATOM 591 NZ LYS A 38 5.466 -15.687 -5.260 1.00 0.00 N ATOM 0 H LYS A 38 7.297 -10.762 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 38 5.669 -11.862 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.847 -12.798 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.763 -13.350 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.839 -15.216 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.402 -14.419 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.682 -13.414 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.178 -14.064 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.534 -15.555 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.163 -16.393 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.354 -16.577 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.847 -15.699 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.206 -14.887 -5.872 1.00 0.00 H new ATOM 605 N GLU A 39 4.661 -11.953 -0.022 1.00 0.00 N ATOM 606 CA GLU A 39 3.482 -12.095 0.824 1.00 0.00 C ATOM 607 C GLU A 39 2.375 -11.145 0.378 1.00 0.00 C ATOM 608 O GLU A 39 1.192 -11.479 0.442 1.00 0.00 O ATOM 609 CB GLU A 39 3.841 -11.825 2.287 1.00 0.00 C ATOM 610 CG GLU A 39 3.695 -10.368 2.691 1.00 0.00 C ATOM 611 CD GLU A 39 3.893 -10.152 4.179 1.00 0.00 C ATOM 612 OE1 GLU A 39 4.329 -11.102 4.863 1.00 0.00 O ATOM 613 OE2 GLU A 39 3.611 -9.035 4.660 1.00 0.00 O ATOM 0 H GLU A 39 5.524 -11.756 0.485 1.00 0.00 H new ATOM 0 HA GLU A 39 3.120 -13.119 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.205 -12.436 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.869 -12.141 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.420 -9.768 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.705 -10.013 2.405 1.00 0.00 H new ATOM 620 N MET A 40 2.768 -9.958 -0.075 1.00 0.00 N ATOM 621 CA MET A 40 1.809 -8.959 -0.533 1.00 0.00 C ATOM 622 C MET A 40 1.308 -9.289 -1.935 1.00 0.00 C ATOM 623 O MET A 40 0.105 -9.282 -2.192 1.00 0.00 O ATOM 624 CB MET A 40 2.444 -7.568 -0.519 1.00 0.00 C ATOM 625 CG MET A 40 2.492 -6.934 0.862 1.00 0.00 C ATOM 626 SD MET A 40 3.232 -5.291 0.847 1.00 0.00 S ATOM 627 CE MET A 40 4.974 -5.703 0.926 1.00 0.00 C ATOM 0 H MET A 40 3.743 -9.665 -0.135 1.00 0.00 H new ATOM 0 HA MET A 40 0.958 -8.969 0.148 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.458 -7.637 -0.913 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.885 -6.916 -1.190 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.480 -6.869 1.263 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.060 -7.578 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.457 -5.098 1.693 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.087 -6.759 1.172 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.439 -5.504 -0.039 1.00 0.00 H new ATOM 637 N ALA A 41 2.240 -9.577 -2.839 1.00 0.00 N ATOM 638 CA ALA A 41 1.892 -9.911 -4.214 1.00 0.00 C ATOM 639 C ALA A 41 0.698 -10.858 -4.264 1.00 0.00 C ATOM 640 O ALA A 41 -0.066 -10.859 -5.230 1.00 0.00 O ATOM 641 CB ALA A 41 3.087 -10.528 -4.926 1.00 0.00 C ATOM 0 H ALA A 41 3.241 -9.585 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 41 1.613 -8.990 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.813 -10.773 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.914 -9.818 -4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.392 -11.436 -4.406 1.00 0.00 H new ATOM 647 N ASP A 42 0.543 -11.663 -3.219 1.00 0.00 N ATOM 648 CA ASP A 42 -0.559 -12.615 -3.144 1.00 0.00 C ATOM 649 C ASP A 42 -1.749 -12.012 -2.403 1.00 0.00 C ATOM 650 O ASP A 42 -2.901 -12.208 -2.792 1.00 0.00 O ATOM 651 CB ASP A 42 -0.106 -13.898 -2.446 1.00 0.00 C ATOM 652 CG ASP A 42 -0.970 -15.090 -2.809 1.00 0.00 C ATOM 653 OD1 ASP A 42 -2.162 -15.095 -2.436 1.00 0.00 O ATOM 654 OD2 ASP A 42 -0.455 -16.018 -3.466 1.00 0.00 O ATOM 0 H ASP A 42 1.167 -11.675 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.870 -12.854 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.929 -14.108 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.132 -13.750 -1.366 1.00 0.00 H new ATOM 659 N LYS A 43 -1.463 -11.277 -1.334 1.00 0.00 N ATOM 660 CA LYS A 43 -2.508 -10.644 -0.538 1.00 0.00 C ATOM 661 C LYS A 43 -3.377 -9.738 -1.403 1.00 0.00 C ATOM 662 O LYS A 43 -4.596 -9.691 -1.240 1.00 0.00 O ATOM 663 CB LYS A 43 -1.888 -9.836 0.604 1.00 0.00 C ATOM 664 CG LYS A 43 -1.452 -10.686 1.785 1.00 0.00 C ATOM 665 CD LYS A 43 -0.706 -9.862 2.821 1.00 0.00 C ATOM 666 CE LYS A 43 0.181 -10.736 3.695 1.00 0.00 C ATOM 667 NZ LYS A 43 -0.599 -11.430 4.757 1.00 0.00 N ATOM 0 H LYS A 43 -0.515 -11.105 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.138 -11.429 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.026 -9.288 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.610 -9.095 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.326 -11.146 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.813 -11.496 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.097 -9.110 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.421 -9.328 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.687 -11.475 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.955 -10.122 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.041 -12.015 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.062 -10.724 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.321 -12.035 4.318 1.00 0.00 H new ATOM 681 N SER A 44 -2.743 -9.020 -2.325 1.00 0.00 N ATOM 682 CA SER A 44 -3.458 -8.114 -3.214 1.00 0.00 C ATOM 683 C SER A 44 -3.704 -8.765 -4.572 1.00 0.00 C ATOM 684 O SER A 44 -4.778 -8.626 -5.155 1.00 0.00 O ATOM 685 CB SER A 44 -2.671 -6.815 -3.394 1.00 0.00 C ATOM 686 OG SER A 44 -1.625 -6.979 -4.337 1.00 0.00 O ATOM 0 H SER A 44 -1.735 -9.049 -2.475 1.00 0.00 H new ATOM 0 HA SER A 44 -4.422 -7.886 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.342 -6.022 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.256 -6.502 -2.436 1.00 0.00 H new ATOM 0 HG SER A 44 -0.827 -6.502 -4.027 1.00 0.00 H new ATOM 692 N GLY A 45 -2.698 -9.478 -5.069 1.00 0.00 N ATOM 693 CA GLY A 45 -2.823 -10.141 -6.354 1.00 0.00 C ATOM 694 C GLY A 45 -1.905 -9.548 -7.405 1.00 0.00 C ATOM 695 O GLY A 45 -1.886 -10.001 -8.550 1.00 0.00 O ATOM 0 H GLY A 45 -1.799 -9.608 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.598 -11.201 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.855 -10.071 -6.697 1.00 0.00 H new ATOM 699 N LEU A 46 -1.142 -8.532 -7.016 1.00 0.00 N ATOM 700 CA LEU A 46 -0.218 -7.875 -7.933 1.00 0.00 C ATOM 701 C LEU A 46 1.124 -8.599 -7.965 1.00 0.00 C ATOM 702 O LEU A 46 1.540 -9.231 -6.994 1.00 0.00 O ATOM 703 CB LEU A 46 -0.013 -6.415 -7.523 1.00 0.00 C ATOM 704 CG LEU A 46 -1.252 -5.521 -7.587 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.153 -4.398 -6.566 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.429 -4.955 -8.988 1.00 0.00 C ATOM 0 H LEU A 46 -1.145 -8.146 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.652 -7.908 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.373 -6.395 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.756 -5.983 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.126 -6.127 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.043 -3.772 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.075 -4.822 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.270 -3.794 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.315 -4.321 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.553 -4.365 -9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.546 -5.773 -9.699 1.00 0.00 H new ATOM 718 N PRO A 47 1.821 -8.504 -9.107 1.00 0.00 N ATOM 719 CA PRO A 47 3.128 -9.141 -9.293 1.00 0.00 C ATOM 720 C PRO A 47 4.219 -8.479 -8.458 1.00 0.00 C ATOM 721 O PRO A 47 3.974 -7.482 -7.779 1.00 0.00 O ATOM 722 CB PRO A 47 3.407 -8.950 -10.786 1.00 0.00 C ATOM 723 CG PRO A 47 2.619 -7.745 -11.167 1.00 0.00 C ATOM 724 CD PRO A 47 1.386 -7.767 -10.306 1.00 0.00 C ATOM 0 HA PRO A 47 3.122 -10.184 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.471 -8.803 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.099 -9.823 -11.361 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.194 -6.834 -11.001 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.357 -7.769 -12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.050 -6.760 -10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.556 -8.266 -10.806 1.00 0.00 H new ATOM 732 N GLN A 48 5.423 -9.039 -8.514 1.00 0.00 N ATOM 733 CA GLN A 48 6.551 -8.503 -7.762 1.00 0.00 C ATOM 734 C GLN A 48 7.160 -7.302 -8.478 1.00 0.00 C ATOM 735 O GLN A 48 7.872 -6.500 -7.873 1.00 0.00 O ATOM 736 CB GLN A 48 7.615 -9.583 -7.557 1.00 0.00 C ATOM 737 CG GLN A 48 7.233 -10.622 -6.516 1.00 0.00 C ATOM 738 CD GLN A 48 8.437 -11.340 -5.939 1.00 0.00 C ATOM 739 OE1 GLN A 48 8.381 -11.648 -4.648 1.00 0.00 O flip ATOM 740 NE2 GLN A 48 9.407 -11.615 -6.645 1.00 0.00 N flip ATOM 0 H GLN A 48 5.642 -9.864 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 48 6.184 -8.176 -6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.801 -10.084 -8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.550 -9.109 -7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.683 -10.137 -5.709 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.561 -11.352 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.408 -11.360 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.210 -12.098 -6.243 1.00 0.00 H new ATOM 749 N LYS A 49 6.878 -7.184 -9.771 1.00 0.00 N ATOM 750 CA LYS A 49 7.396 -6.081 -10.571 1.00 0.00 C ATOM 751 C LYS A 49 6.541 -4.831 -10.394 1.00 0.00 C ATOM 752 O LYS A 49 7.058 -3.715 -10.341 1.00 0.00 O ATOM 753 CB LYS A 49 7.444 -6.474 -12.049 1.00 0.00 C ATOM 754 CG LYS A 49 6.079 -6.782 -12.641 1.00 0.00 C ATOM 755 CD LYS A 49 6.197 -7.379 -14.034 1.00 0.00 C ATOM 756 CE LYS A 49 6.612 -8.841 -13.979 1.00 0.00 C ATOM 757 NZ LYS A 49 5.512 -9.711 -13.477 1.00 0.00 N ATOM 0 H LYS A 49 6.292 -7.840 -10.288 1.00 0.00 H new ATOM 0 HA LYS A 49 8.406 -5.860 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.903 -5.665 -12.617 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.086 -7.347 -12.163 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.548 -7.476 -11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.486 -5.869 -12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.242 -7.290 -14.552 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.927 -6.814 -14.613 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.911 -9.171 -14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.483 -8.947 -13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.864 -10.299 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.727 -9.118 -13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.176 -10.324 -14.247 1.00 0.00 H new ATOM 771 N VAL A 50 5.229 -5.025 -10.302 1.00 0.00 N ATOM 772 CA VAL A 50 4.302 -3.913 -10.128 1.00 0.00 C ATOM 773 C VAL A 50 4.448 -3.287 -8.746 1.00 0.00 C ATOM 774 O VAL A 50 4.527 -2.065 -8.612 1.00 0.00 O ATOM 775 CB VAL A 50 2.842 -4.364 -10.322 1.00 0.00 C ATOM 776 CG1 VAL A 50 1.883 -3.335 -9.744 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.552 -4.606 -11.796 1.00 0.00 C ATOM 0 H VAL A 50 4.784 -5.942 -10.345 1.00 0.00 H new ATOM 0 HA VAL A 50 4.551 -3.172 -10.888 1.00 0.00 H new ATOM 0 HB VAL A 50 2.695 -5.302 -9.786 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.857 -3.671 -9.891 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.077 -3.215 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.027 -2.380 -10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.516 -4.924 -11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.716 -3.685 -12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.216 -5.383 -12.175 1.00 0.00 H new ATOM 787 N ILE A 51 4.485 -4.131 -7.720 1.00 0.00 N ATOM 788 CA ILE A 51 4.623 -3.659 -6.348 1.00 0.00 C ATOM 789 C ILE A 51 5.936 -2.908 -6.155 1.00 0.00 C ATOM 790 O ILE A 51 5.947 -1.751 -5.734 1.00 0.00 O ATOM 791 CB ILE A 51 4.559 -4.825 -5.343 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.223 -5.560 -5.465 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.761 -4.313 -3.925 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.247 -6.958 -4.889 1.00 0.00 C ATOM 0 H ILE A 51 4.421 -5.145 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 51 3.789 -2.982 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 51 5.360 -5.528 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.451 -4.980 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.942 -5.614 -6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.713 -5.148 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.735 -3.831 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.979 -3.593 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.267 -7.418 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.995 -7.554 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.497 -6.911 -3.829 1.00 0.00 H new ATOM 806 N LYS A 52 7.043 -3.573 -6.467 1.00 0.00 N ATOM 807 CA LYS A 52 8.363 -2.969 -6.332 1.00 0.00 C ATOM 808 C LYS A 52 8.405 -1.598 -7.000 1.00 0.00 C ATOM 809 O LYS A 52 8.763 -0.601 -6.372 1.00 0.00 O ATOM 810 CB LYS A 52 9.429 -3.880 -6.945 1.00 0.00 C ATOM 811 CG LYS A 52 9.840 -5.029 -6.042 1.00 0.00 C ATOM 812 CD LYS A 52 10.877 -5.918 -6.707 1.00 0.00 C ATOM 813 CE LYS A 52 12.291 -5.430 -6.429 1.00 0.00 C ATOM 814 NZ LYS A 52 13.308 -6.224 -7.172 1.00 0.00 N ATOM 0 H LYS A 52 7.052 -4.532 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 52 8.570 -2.842 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.053 -4.284 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.310 -3.284 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.243 -4.634 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.963 -5.622 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.766 -6.941 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.703 -5.939 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.374 -4.380 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.493 -5.491 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.258 -5.860 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.246 -7.222 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.131 -6.145 -8.194 1.00 0.00 H new ATOM 828 N HIS A 53 8.036 -1.555 -8.276 1.00 0.00 N ATOM 829 CA HIS A 53 8.030 -0.306 -9.029 1.00 0.00 C ATOM 830 C HIS A 53 7.203 0.757 -8.310 1.00 0.00 C ATOM 831 O HIS A 53 7.677 1.867 -8.069 1.00 0.00 O ATOM 832 CB HIS A 53 7.475 -0.535 -10.435 1.00 0.00 C ATOM 833 CG HIS A 53 6.920 0.703 -11.069 1.00 0.00 C ATOM 834 ND1 HIS A 53 5.763 1.369 -10.847 1.00 0.00 N flip ATOM 835 CD2 HIS A 53 7.576 1.397 -12.064 1.00 0.00 C flip ATOM 836 CE1 HIS A 53 5.742 2.444 -11.702 1.00 0.00 C flip ATOM 837 NE2 HIS A 53 6.847 2.439 -12.424 1.00 0.00 N flip ATOM 0 H HIS A 53 7.737 -2.371 -8.810 1.00 0.00 H new ATOM 0 HA HIS A 53 9.058 0.048 -9.106 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.267 -0.934 -11.069 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.692 -1.292 -10.389 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.535 1.131 -12.483 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.950 3.175 -11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 53 7.096 3.123 -13.138 1.00 0.00 H new ATOM 846 N TRP A 54 5.967 0.409 -7.972 1.00 0.00 N ATOM 847 CA TRP A 54 5.075 1.334 -7.282 1.00 0.00 C ATOM 848 C TRP A 54 5.785 2.002 -6.110 1.00 0.00 C ATOM 849 O TRP A 54 5.759 3.226 -5.972 1.00 0.00 O ATOM 850 CB TRP A 54 3.828 0.599 -6.787 1.00 0.00 C ATOM 851 CG TRP A 54 2.896 1.472 -6.003 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.784 2.112 -6.472 1.00 0.00 C ATOM 853 CD2 TRP A 54 2.995 1.801 -4.614 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.186 2.820 -5.458 1.00 0.00 N ATOM 855 CE2 TRP A 54 1.909 2.645 -4.307 1.00 0.00 C ATOM 856 CE3 TRP A 54 3.894 1.465 -3.598 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.702 3.156 -3.029 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.686 1.973 -2.330 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.597 2.810 -2.054 1.00 0.00 C ATOM 0 H TRP A 54 5.560 -0.506 -8.164 1.00 0.00 H new ATOM 0 HA TRP A 54 4.775 2.107 -7.990 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.294 0.187 -7.643 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.134 -0.243 -6.166 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.427 2.068 -7.490 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.341 3.384 -5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.736 0.820 -3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.864 3.803 -2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.375 1.720 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.461 3.189 -1.052 1.00 0.00 H new ATOM 870 N PHE A 55 6.418 1.193 -5.267 1.00 0.00 N ATOM 871 CA PHE A 55 7.134 1.707 -4.106 1.00 0.00 C ATOM 872 C PHE A 55 8.183 2.734 -4.524 1.00 0.00 C ATOM 873 O PHE A 55 8.423 3.714 -3.819 1.00 0.00 O ATOM 874 CB PHE A 55 7.802 0.561 -3.344 1.00 0.00 C ATOM 875 CG PHE A 55 6.929 -0.040 -2.279 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.874 0.519 -1.013 1.00 0.00 C ATOM 877 CD2 PHE A 55 6.165 -1.165 -2.545 1.00 0.00 C ATOM 878 CE1 PHE A 55 6.071 -0.031 -0.031 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.360 -1.719 -1.567 1.00 0.00 C ATOM 880 CZ PHE A 55 5.314 -1.152 -0.308 1.00 0.00 C ATOM 0 H PHE A 55 6.450 0.178 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 55 6.412 2.197 -3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.087 -0.218 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.721 0.927 -2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.465 1.395 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.199 -1.614 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.036 0.416 0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.767 -2.595 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.687 -1.585 0.458 1.00 0.00 H new ATOM 890 N ARG A 56 8.804 2.500 -5.676 1.00 0.00 N ATOM 891 CA ARG A 56 9.828 3.403 -6.188 1.00 0.00 C ATOM 892 C ARG A 56 9.202 4.685 -6.728 1.00 0.00 C ATOM 893 O ARG A 56 9.460 5.775 -6.220 1.00 0.00 O ATOM 894 CB ARG A 56 10.639 2.716 -7.288 1.00 0.00 C ATOM 895 CG ARG A 56 11.592 3.651 -8.016 1.00 0.00 C ATOM 896 CD ARG A 56 12.811 3.975 -7.168 1.00 0.00 C ATOM 897 NE ARG A 56 13.978 4.293 -7.986 1.00 0.00 N ATOM 898 CZ ARG A 56 14.798 3.375 -8.486 1.00 0.00 C ATOM 899 NH1 ARG A 56 14.579 2.088 -8.252 1.00 0.00 N ATOM 900 NH2 ARG A 56 15.839 3.742 -9.221 1.00 0.00 N ATOM 0 H ARG A 56 8.616 1.694 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 56 10.493 3.663 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.210 1.898 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.953 2.274 -8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.910 3.191 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.072 4.573 -8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.585 4.818 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.040 3.126 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 56 14.174 5.274 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.780 1.801 -7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.210 1.385 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.011 4.731 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.467 3.036 -9.604 1.00 0.00 H new ATOM 914 N ASN A 57 8.378 4.545 -7.762 1.00 0.00 N ATOM 915 CA ASN A 57 7.716 5.692 -8.372 1.00 0.00 C ATOM 916 C ASN A 57 7.082 6.584 -7.309 1.00 0.00 C ATOM 917 O ASN A 57 7.012 7.803 -7.465 1.00 0.00 O ATOM 918 CB ASN A 57 6.648 5.224 -9.363 1.00 0.00 C ATOM 919 CG ASN A 57 6.054 6.370 -10.158 1.00 0.00 C ATOM 920 OD1 ASN A 57 6.774 7.244 -10.641 1.00 0.00 O ATOM 921 ND2 ASN A 57 4.733 6.372 -10.297 1.00 0.00 N ATOM 0 H ASN A 57 8.153 3.649 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 57 8.469 6.272 -8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.086 4.498 -10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.853 4.711 -8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.276 7.118 -10.821 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.175 5.627 -9.880 1.00 0.00 H new ATOM 928 N THR A 58 6.621 5.967 -6.225 1.00 0.00 N ATOM 929 CA THR A 58 5.992 6.703 -5.136 1.00 0.00 C ATOM 930 C THR A 58 7.036 7.250 -4.168 1.00 0.00 C ATOM 931 O THR A 58 7.065 8.447 -3.882 1.00 0.00 O ATOM 932 CB THR A 58 5.001 5.817 -4.357 1.00 0.00 C ATOM 933 OG1 THR A 58 4.069 5.214 -5.262 1.00 0.00 O ATOM 934 CG2 THR A 58 4.249 6.633 -3.316 1.00 0.00 C ATOM 0 H THR A 58 6.672 4.959 -6.078 1.00 0.00 H new ATOM 0 HA THR A 58 5.448 7.533 -5.588 1.00 0.00 H new ATOM 0 HB THR A 58 5.567 5.038 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.508 4.482 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.555 5.986 -2.779 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.959 7.068 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.693 7.430 -3.810 1.00 0.00 H new ATOM 942 N LEU A 59 7.891 6.366 -3.667 1.00 0.00 N ATOM 943 CA LEU A 59 8.938 6.760 -2.731 1.00 0.00 C ATOM 944 C LEU A 59 9.793 7.883 -3.311 1.00 0.00 C ATOM 945 O LEU A 59 9.935 8.945 -2.705 1.00 0.00 O ATOM 946 CB LEU A 59 9.820 5.559 -2.385 1.00 0.00 C ATOM 947 CG LEU A 59 11.075 5.861 -1.566 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.727 6.018 -0.094 1.00 0.00 C ATOM 949 CD2 LEU A 59 12.113 4.765 -1.756 1.00 0.00 C ATOM 0 H LEU A 59 7.880 5.371 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 59 8.459 7.125 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.216 4.837 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.124 5.077 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 59 11.499 6.801 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.633 6.233 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.020 6.839 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.278 5.095 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.999 4.997 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.699 3.811 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.385 4.701 -2.809 1.00 0.00 H new ATOM 961 N PHE A 60 10.358 7.641 -4.488 1.00 0.00 N ATOM 962 CA PHE A 60 11.198 8.631 -5.151 1.00 0.00 C ATOM 963 C PHE A 60 10.566 10.018 -5.076 1.00 0.00 C ATOM 964 O PHE A 60 11.254 11.017 -4.865 1.00 0.00 O ATOM 965 CB PHE A 60 11.427 8.241 -6.613 1.00 0.00 C ATOM 966 CG PHE A 60 12.739 8.721 -7.163 1.00 0.00 C ATOM 967 CD1 PHE A 60 12.911 10.047 -7.526 1.00 0.00 C ATOM 968 CD2 PHE A 60 13.802 7.846 -7.317 1.00 0.00 C ATOM 969 CE1 PHE A 60 14.117 10.491 -8.033 1.00 0.00 C ATOM 970 CE2 PHE A 60 15.012 8.284 -7.824 1.00 0.00 C ATOM 971 CZ PHE A 60 15.169 9.608 -8.181 1.00 0.00 C ATOM 0 H PHE A 60 10.250 6.767 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 60 12.158 8.660 -4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.380 7.156 -6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.618 8.647 -7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.092 10.742 -7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.684 6.809 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.237 11.527 -8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 60 15.832 7.591 -7.940 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.113 9.953 -8.576 1.00 0.00 H new ATOM 981 N LYS A 61 9.250 10.072 -5.251 1.00 0.00 N ATOM 982 CA LYS A 61 8.522 11.334 -5.202 1.00 0.00 C ATOM 983 C LYS A 61 8.680 12.002 -3.840 1.00 0.00 C ATOM 984 O LYS A 61 9.051 13.172 -3.752 1.00 0.00 O ATOM 985 CB LYS A 61 7.038 11.103 -5.500 1.00 0.00 C ATOM 986 CG LYS A 61 6.777 10.530 -6.882 1.00 0.00 C ATOM 987 CD LYS A 61 6.609 11.629 -7.918 1.00 0.00 C ATOM 988 CE LYS A 61 5.240 12.284 -7.818 1.00 0.00 C ATOM 989 NZ LYS A 61 4.139 11.305 -8.031 1.00 0.00 N ATOM 0 H LYS A 61 8.665 9.255 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 61 8.940 11.995 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.627 10.426 -4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.505 12.049 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.604 9.881 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.880 9.912 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.385 12.382 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.742 11.213 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.130 12.747 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.164 13.082 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.283 11.807 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.421 10.619 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.943 10.804 -7.141 1.00 0.00 H new ATOM 1003 N GLU A 62 8.398 11.249 -2.781 1.00 0.00 N ATOM 1004 CA GLU A 62 8.510 11.770 -1.423 1.00 0.00 C ATOM 1005 C GLU A 62 9.922 12.282 -1.152 1.00 0.00 C ATOM 1006 O GLU A 62 10.116 13.212 -0.369 1.00 0.00 O ATOM 1007 CB GLU A 62 8.145 10.687 -0.406 1.00 0.00 C ATOM 1008 CG GLU A 62 6.648 10.485 -0.244 1.00 0.00 C ATOM 1009 CD GLU A 62 5.990 11.603 0.542 1.00 0.00 C ATOM 1010 OE1 GLU A 62 6.452 11.888 1.667 1.00 0.00 O ATOM 1011 OE2 GLU A 62 5.015 12.193 0.032 1.00 0.00 O ATOM 0 H GLU A 62 8.091 10.278 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 62 7.814 12.603 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.599 9.745 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.575 10.949 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.186 10.417 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.466 9.536 0.260 1.00 0.00 H new ATOM 1018 N ARG A 63 10.903 11.668 -1.805 1.00 0.00 N ATOM 1019 CA ARG A 63 12.297 12.060 -1.633 1.00 0.00 C ATOM 1020 C ARG A 63 12.543 13.456 -2.198 1.00 0.00 C ATOM 1021 O ARG A 63 13.483 14.141 -1.797 1.00 0.00 O ATOM 1022 CB ARG A 63 13.221 11.051 -2.318 1.00 0.00 C ATOM 1023 CG ARG A 63 13.107 9.643 -1.757 1.00 0.00 C ATOM 1024 CD ARG A 63 13.552 9.584 -0.304 1.00 0.00 C ATOM 1025 NE ARG A 63 13.986 8.244 0.082 1.00 0.00 N ATOM 1026 CZ ARG A 63 15.197 7.762 -0.175 1.00 0.00 C ATOM 1027 NH1 ARG A 63 16.088 8.506 -0.815 1.00 0.00 N ATOM 1028 NH2 ARG A 63 15.518 6.533 0.208 1.00 0.00 N ATOM 0 H ARG A 63 10.759 10.898 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 63 12.515 12.075 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.994 11.028 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.252 11.390 -2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.075 9.301 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.715 8.963 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.368 10.289 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.730 9.898 0.340 1.00 0.00 H new ATOM 0 HE ARG A 63 13.323 7.646 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.845 9.451 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.017 8.133 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.835 5.957 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.448 6.164 0.010 1.00 0.00 H new ATOM 1042 N GLN A 64 11.692 13.869 -3.132 1.00 0.00 N ATOM 1043 CA GLN A 64 11.818 15.182 -3.752 1.00 0.00 C ATOM 1044 C GLN A 64 12.084 16.257 -2.704 1.00 0.00 C ATOM 1045 O GLN A 64 11.659 16.135 -1.555 1.00 0.00 O ATOM 1046 CB GLN A 64 10.550 15.522 -4.538 1.00 0.00 C ATOM 1047 CG GLN A 64 9.425 16.065 -3.672 1.00 0.00 C ATOM 1048 CD GLN A 64 8.260 16.588 -4.489 1.00 0.00 C ATOM 1049 OE1 GLN A 64 7.551 15.822 -5.142 1.00 0.00 O ATOM 1050 NE2 GLN A 64 8.055 17.900 -4.456 1.00 0.00 N ATOM 0 H GLN A 64 10.909 13.313 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 64 12.665 15.152 -4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.794 16.257 -5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.201 14.627 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.072 15.278 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.811 16.866 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.667 18.498 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.285 18.309 -4.985 1.00 0.00 H new ATOM 1059 N SER A 65 12.790 17.308 -3.107 1.00 0.00 N ATOM 1060 CA SER A 65 13.116 18.403 -2.200 1.00 0.00 C ATOM 1061 C SER A 65 12.868 19.753 -2.867 1.00 0.00 C ATOM 1062 O SER A 65 13.698 20.241 -3.632 1.00 0.00 O ATOM 1063 CB SER A 65 14.575 18.304 -1.751 1.00 0.00 C ATOM 1064 OG SER A 65 14.947 19.428 -0.973 1.00 0.00 O ATOM 0 H SER A 65 13.147 17.425 -4.055 1.00 0.00 H new ATOM 0 HA SER A 65 12.468 18.324 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.719 17.393 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.223 18.232 -2.624 1.00 0.00 H new ATOM 0 HG SER A 65 15.883 19.340 -0.697 1.00 0.00 H new ATOM 1070 N GLY A 66 11.718 20.350 -2.569 1.00 0.00 N ATOM 1071 CA GLY A 66 11.380 21.638 -3.147 1.00 0.00 C ATOM 1072 C GLY A 66 11.494 22.771 -2.146 1.00 0.00 C ATOM 1073 O GLY A 66 11.241 22.601 -0.953 1.00 0.00 O ATOM 0 H GLY A 66 11.015 19.965 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.038 21.837 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.363 21.602 -3.536 1.00 0.00 H new ATOM 1077 N PRO A 67 11.884 23.958 -2.633 1.00 0.00 N ATOM 1078 CA PRO A 67 12.041 25.146 -1.789 1.00 0.00 C ATOM 1079 C PRO A 67 10.704 25.681 -1.286 1.00 0.00 C ATOM 1080 O PRO A 67 9.654 25.390 -1.859 1.00 0.00 O ATOM 1081 CB PRO A 67 12.706 26.160 -2.723 1.00 0.00 C ATOM 1082 CG PRO A 67 12.305 25.732 -4.093 1.00 0.00 C ATOM 1083 CD PRO A 67 12.202 24.233 -4.044 1.00 0.00 C ATOM 0 HA PRO A 67 12.618 24.933 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.369 27.175 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.790 26.153 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.353 26.180 -4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.041 26.049 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.424 23.862 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 67 13.135 23.756 -4.346 1.00 0.00 H new ATOM 1091 N SER A 68 10.751 26.465 -0.214 1.00 0.00 N ATOM 1092 CA SER A 68 9.543 27.038 0.367 1.00 0.00 C ATOM 1093 C SER A 68 9.506 28.550 0.163 1.00 0.00 C ATOM 1094 O SER A 68 10.505 29.239 0.367 1.00 0.00 O ATOM 1095 CB SER A 68 9.465 26.712 1.860 1.00 0.00 C ATOM 1096 OG SER A 68 8.234 27.144 2.413 1.00 0.00 O ATOM 0 H SER A 68 11.613 26.718 0.270 1.00 0.00 H new ATOM 0 HA SER A 68 8.683 26.599 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.576 25.638 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.291 27.193 2.384 1.00 0.00 H new ATOM 0 HG SER A 68 8.208 26.922 3.367 1.00 0.00 H new ATOM 1102 N SER A 69 8.346 29.058 -0.241 1.00 0.00 N ATOM 1103 CA SER A 69 8.178 30.487 -0.477 1.00 0.00 C ATOM 1104 C SER A 69 6.753 30.927 -0.154 1.00 0.00 C ATOM 1105 O SER A 69 5.804 30.543 -0.836 1.00 0.00 O ATOM 1106 CB SER A 69 8.513 30.828 -1.930 1.00 0.00 C ATOM 1107 OG SER A 69 7.520 30.333 -2.812 1.00 0.00 O ATOM 0 H SER A 69 7.509 28.501 -0.412 1.00 0.00 H new ATOM 0 HA SER A 69 8.863 31.022 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.598 31.909 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.482 30.403 -2.193 1.00 0.00 H new ATOM 0 HG SER A 69 6.633 30.486 -2.425 1.00 0.00 H new ATOM 1113 N GLY A 70 6.612 31.736 0.892 1.00 0.00 N ATOM 1114 CA GLY A 70 5.301 32.215 1.287 1.00 0.00 C ATOM 1115 C GLY A 70 5.025 31.998 2.762 1.00 0.00 C ATOM 1116 O GLY A 70 4.158 32.653 3.341 1.00 0.00 O ATOM 0 H GLY A 70 7.382 32.068 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.222 33.278 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.538 31.704 0.699 1.00 0.00 H new TER 1120 GLY A 70