USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 HIS : no HD1:sc= -1.64 K(o=-0.62,f=-1.8!) USER MOD Set 1.2: A 97 SER OG : rot -160:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.08 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 114:sc= 1.25 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= 0.058 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 36:sc= 0.254 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc=-0.00335 USER MOD Single : A 25 SER OG : rot 37:sc= 0.0148 USER MOD Single : A 26 GLN : amide:sc= -0.0048 X(o=-0.0048,f=-0.098) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc=-0.00775 (180deg=-0.113) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 30:sc= 0.16 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 22:sc= -3.12 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-1.8) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.8) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -127:sc= 0.017 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.73) USER MOD Single : A 100 SER OG : rot -0:sc= 0.374 USER MOD Single : A 102 MET CE :methyl 159:sc= -0.076 (180deg=-1.17) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 45:sc= 0.539 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 35:sc= 0.942 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.009 -25.986 3.239 1.00 0.00 N ATOM 2 CA GLY A 1 -11.620 -26.260 2.917 1.00 0.00 C ATOM 3 C GLY A 1 -11.065 -25.301 1.884 1.00 0.00 C ATOM 4 O GLY A 1 -11.691 -24.291 1.563 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.117 -25.904 4.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.301 -25.095 2.788 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.606 -26.763 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.021 -26.198 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.531 -27.281 2.546 1.00 0.00 H new ATOM 8 N SER A 2 -9.883 -25.614 1.362 1.00 0.00 N ATOM 9 CA SER A 2 -9.239 -24.769 0.364 1.00 0.00 C ATOM 10 C SER A 2 -9.298 -25.417 -1.016 1.00 0.00 C ATOM 11 O SER A 2 -9.027 -26.609 -1.167 1.00 0.00 O ATOM 12 CB SER A 2 -7.784 -24.501 0.751 1.00 0.00 C ATOM 13 OG SER A 2 -6.981 -25.650 0.542 1.00 0.00 O ATOM 0 H SER A 2 -9.352 -26.447 1.614 1.00 0.00 H new ATOM 0 HA SER A 2 -9.777 -23.822 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.395 -23.670 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.732 -24.203 1.798 1.00 0.00 H new ATOM 0 HG SER A 2 -6.055 -25.452 0.795 1.00 0.00 H new ATOM 19 N SER A 3 -9.655 -24.625 -2.022 1.00 0.00 N ATOM 20 CA SER A 3 -9.753 -25.121 -3.389 1.00 0.00 C ATOM 21 C SER A 3 -8.408 -25.652 -3.873 1.00 0.00 C ATOM 22 O SER A 3 -8.324 -26.744 -4.432 1.00 0.00 O ATOM 23 CB SER A 3 -10.243 -24.012 -4.323 1.00 0.00 C ATOM 24 OG SER A 3 -10.576 -24.530 -5.599 1.00 0.00 O ATOM 0 H SER A 3 -9.881 -23.636 -1.915 1.00 0.00 H new ATOM 0 HA SER A 3 -10.472 -25.940 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.114 -23.523 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.469 -23.251 -4.427 1.00 0.00 H new ATOM 0 HG SER A 3 -10.888 -23.802 -6.176 1.00 0.00 H new ATOM 30 N GLY A 4 -7.355 -24.869 -3.653 1.00 0.00 N ATOM 31 CA GLY A 4 -6.027 -25.276 -4.071 1.00 0.00 C ATOM 32 C GLY A 4 -5.528 -24.486 -5.266 1.00 0.00 C ATOM 33 O GLY A 4 -5.484 -25.000 -6.383 1.00 0.00 O ATOM 0 H GLY A 4 -7.399 -23.960 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.333 -25.149 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.037 -26.337 -4.319 1.00 0.00 H new ATOM 37 N SER A 5 -5.156 -23.232 -5.030 1.00 0.00 N ATOM 38 CA SER A 5 -4.663 -22.368 -6.097 1.00 0.00 C ATOM 39 C SER A 5 -3.165 -22.120 -5.947 1.00 0.00 C ATOM 40 O SER A 5 -2.746 -21.097 -5.406 1.00 0.00 O ATOM 41 CB SER A 5 -5.415 -21.036 -6.091 1.00 0.00 C ATOM 42 OG SER A 5 -6.650 -21.144 -6.778 1.00 0.00 O ATOM 0 H SER A 5 -5.186 -22.792 -4.110 1.00 0.00 H new ATOM 0 HA SER A 5 -4.837 -22.871 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.594 -20.720 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.801 -20.266 -6.559 1.00 0.00 H new ATOM 0 HG SER A 5 -7.112 -20.280 -6.758 1.00 0.00 H new ATOM 48 N SER A 6 -2.364 -23.064 -6.429 1.00 0.00 N ATOM 49 CA SER A 6 -0.912 -22.951 -6.347 1.00 0.00 C ATOM 50 C SER A 6 -0.243 -23.698 -7.496 1.00 0.00 C ATOM 51 O SER A 6 -0.832 -24.596 -8.094 1.00 0.00 O ATOM 52 CB SER A 6 -0.413 -23.498 -5.009 1.00 0.00 C ATOM 53 OG SER A 6 0.834 -22.924 -4.656 1.00 0.00 O ATOM 0 H SER A 6 -2.696 -23.916 -6.881 1.00 0.00 H new ATOM 0 HA SER A 6 -0.649 -21.896 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.147 -23.288 -4.231 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.314 -24.582 -5.070 1.00 0.00 H new ATOM 0 HG SER A 6 1.130 -23.289 -3.796 1.00 0.00 H new ATOM 59 N GLY A 7 0.995 -23.318 -7.799 1.00 0.00 N ATOM 60 CA GLY A 7 1.726 -23.961 -8.876 1.00 0.00 C ATOM 61 C GLY A 7 3.136 -23.423 -9.022 1.00 0.00 C ATOM 62 O GLY A 7 3.567 -22.574 -8.240 1.00 0.00 O ATOM 0 H GLY A 7 1.505 -22.577 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.767 -25.035 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.187 -23.818 -9.813 1.00 0.00 H new ATOM 66 N ILE A 8 3.854 -23.917 -10.023 1.00 0.00 N ATOM 67 CA ILE A 8 5.223 -23.481 -10.268 1.00 0.00 C ATOM 68 C ILE A 8 5.344 -21.964 -10.166 1.00 0.00 C ATOM 69 O ILE A 8 4.452 -21.218 -10.570 1.00 0.00 O ATOM 70 CB ILE A 8 5.719 -23.931 -11.655 1.00 0.00 C ATOM 71 CG1 ILE A 8 4.827 -23.348 -12.753 1.00 0.00 C ATOM 72 CG2 ILE A 8 5.746 -25.451 -11.740 1.00 0.00 C ATOM 73 CD1 ILE A 8 5.275 -21.984 -13.234 1.00 0.00 C ATOM 0 H ILE A 8 3.511 -24.620 -10.678 1.00 0.00 H new ATOM 0 HA ILE A 8 5.843 -23.946 -9.501 1.00 0.00 H new ATOM 0 HB ILE A 8 6.733 -23.559 -11.800 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.809 -24.035 -13.599 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.805 -23.276 -12.380 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.099 -25.754 -12.726 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.417 -25.846 -10.977 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.742 -25.842 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.597 -21.632 -14.012 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.266 -21.283 -12.400 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.285 -22.054 -13.638 1.00 0.00 H new ATOM 85 N PRO A 9 6.473 -21.496 -9.614 1.00 0.00 N ATOM 86 CA PRO A 9 6.739 -20.064 -9.449 1.00 0.00 C ATOM 87 C PRO A 9 6.981 -19.361 -10.780 1.00 0.00 C ATOM 88 O PRO A 9 7.942 -19.664 -11.486 1.00 0.00 O ATOM 89 CB PRO A 9 8.004 -20.035 -8.590 1.00 0.00 C ATOM 90 CG PRO A 9 8.679 -21.334 -8.865 1.00 0.00 C ATOM 91 CD PRO A 9 7.578 -22.328 -9.111 1.00 0.00 C ATOM 0 HA PRO A 9 5.893 -19.541 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.643 -19.193 -8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.762 -19.931 -7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.336 -21.257 -9.731 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.298 -21.638 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.875 -23.084 -9.838 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.301 -22.855 -8.198 1.00 0.00 H new ATOM 99 N GLY A 10 6.104 -18.420 -11.116 1.00 0.00 N ATOM 100 CA GLY A 10 6.242 -17.689 -12.363 1.00 0.00 C ATOM 101 C GLY A 10 5.720 -16.270 -12.263 1.00 0.00 C ATOM 102 O GLY A 10 6.497 -15.320 -12.178 1.00 0.00 O ATOM 0 H GLY A 10 5.301 -18.151 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.292 -17.667 -12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.704 -18.216 -13.151 1.00 0.00 H new ATOM 106 N SER A 11 4.398 -16.125 -12.274 1.00 0.00 N ATOM 107 CA SER A 11 3.773 -14.810 -12.190 1.00 0.00 C ATOM 108 C SER A 11 2.306 -14.931 -11.786 1.00 0.00 C ATOM 109 O SER A 11 1.625 -15.904 -12.110 1.00 0.00 O ATOM 110 CB SER A 11 3.886 -14.081 -13.530 1.00 0.00 C ATOM 111 OG SER A 11 3.106 -14.719 -14.525 1.00 0.00 O ATOM 0 H SER A 11 3.740 -16.901 -12.340 1.00 0.00 H new ATOM 0 HA SER A 11 4.296 -14.234 -11.427 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.559 -13.048 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.929 -14.052 -13.845 1.00 0.00 H new ATOM 0 HG SER A 11 2.375 -14.126 -14.798 1.00 0.00 H new ATOM 117 N PRO A 12 1.808 -13.919 -11.061 1.00 0.00 N ATOM 118 CA PRO A 12 0.417 -13.887 -10.597 1.00 0.00 C ATOM 119 C PRO A 12 -0.570 -13.683 -11.741 1.00 0.00 C ATOM 120 O PRO A 12 -1.748 -14.022 -11.625 1.00 0.00 O ATOM 121 CB PRO A 12 0.389 -12.688 -9.647 1.00 0.00 C ATOM 122 CG PRO A 12 1.496 -11.807 -10.113 1.00 0.00 C ATOM 123 CD PRO A 12 2.562 -12.727 -10.638 1.00 0.00 C ATOM 0 HA PRO A 12 0.121 -14.826 -10.130 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.571 -12.173 -9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.539 -12.999 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.151 -11.125 -10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.877 -11.194 -9.297 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.105 -12.279 -11.470 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.298 -12.968 -9.871 1.00 0.00 H new ATOM 131 N PHE A 13 -0.083 -13.130 -12.847 1.00 0.00 N ATOM 132 CA PHE A 13 -0.924 -12.882 -14.013 1.00 0.00 C ATOM 133 C PHE A 13 -0.269 -13.422 -15.280 1.00 0.00 C ATOM 134 O PHE A 13 0.943 -13.305 -15.467 1.00 0.00 O ATOM 135 CB PHE A 13 -1.193 -11.383 -14.164 1.00 0.00 C ATOM 136 CG PHE A 13 -1.827 -10.763 -12.950 1.00 0.00 C ATOM 137 CD1 PHE A 13 -3.198 -10.830 -12.759 1.00 0.00 C ATOM 138 CD2 PHE A 13 -1.053 -10.113 -12.004 1.00 0.00 C ATOM 139 CE1 PHE A 13 -3.784 -10.260 -11.645 1.00 0.00 C ATOM 140 CE2 PHE A 13 -1.633 -9.541 -10.888 1.00 0.00 C ATOM 141 CZ PHE A 13 -3.001 -9.616 -10.707 1.00 0.00 C ATOM 0 H PHE A 13 0.890 -12.845 -12.961 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.871 -13.401 -13.865 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.253 -10.873 -14.374 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.842 -11.223 -15.025 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.815 -11.333 -13.489 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.017 -10.052 -12.140 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.854 -10.318 -11.508 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.018 -9.036 -10.158 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.457 -9.172 -9.834 1.00 0.00 H new ATOM 151 N THR A 14 -1.080 -14.017 -16.150 1.00 0.00 N ATOM 152 CA THR A 14 -0.582 -14.578 -17.400 1.00 0.00 C ATOM 153 C THR A 14 -0.631 -13.549 -18.523 1.00 0.00 C ATOM 154 O THR A 14 0.338 -13.373 -19.259 1.00 0.00 O ATOM 155 CB THR A 14 -1.391 -15.819 -17.820 1.00 0.00 C ATOM 156 OG1 THR A 14 -2.792 -15.522 -17.800 1.00 0.00 O ATOM 157 CG2 THR A 14 -1.104 -16.992 -16.894 1.00 0.00 C ATOM 0 H THR A 14 -2.085 -14.123 -16.011 1.00 0.00 H new ATOM 0 HA THR A 14 0.453 -14.871 -17.225 1.00 0.00 H new ATOM 0 HB THR A 14 -1.092 -16.093 -18.832 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.299 -16.316 -18.070 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.687 -17.857 -17.211 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.042 -17.236 -16.934 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.377 -16.725 -15.873 1.00 0.00 H new ATOM 165 N ALA A 15 -1.767 -12.871 -18.648 1.00 0.00 N ATOM 166 CA ALA A 15 -1.943 -11.856 -19.680 1.00 0.00 C ATOM 167 C ALA A 15 -3.182 -11.010 -19.414 1.00 0.00 C ATOM 168 O ALA A 15 -4.298 -11.527 -19.348 1.00 0.00 O ATOM 169 CB ALA A 15 -2.031 -12.510 -21.052 1.00 0.00 C ATOM 0 H ALA A 15 -2.580 -13.006 -18.047 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.075 -11.196 -19.658 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.162 -11.741 -21.814 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.114 -13.064 -21.250 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.880 -13.193 -21.076 1.00 0.00 H new ATOM 175 N LYS A 16 -2.981 -9.706 -19.260 1.00 0.00 N ATOM 176 CA LYS A 16 -4.082 -8.787 -19.002 1.00 0.00 C ATOM 177 C LYS A 16 -4.509 -8.073 -20.281 1.00 0.00 C ATOM 178 O LYS A 16 -3.669 -7.592 -21.043 1.00 0.00 O ATOM 179 CB LYS A 16 -3.678 -7.758 -17.943 1.00 0.00 C ATOM 180 CG LYS A 16 -4.711 -6.664 -17.732 1.00 0.00 C ATOM 181 CD LYS A 16 -4.111 -5.459 -17.027 1.00 0.00 C ATOM 182 CE LYS A 16 -3.344 -4.572 -17.995 1.00 0.00 C ATOM 183 NZ LYS A 16 -2.370 -3.694 -17.290 1.00 0.00 N ATOM 0 H LYS A 16 -2.064 -9.262 -19.310 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.927 -9.369 -18.633 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.506 -8.271 -16.997 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.732 -7.302 -18.234 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.119 -6.357 -18.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.541 -7.055 -17.144 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.904 -4.881 -16.553 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.444 -5.795 -16.233 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.815 -5.194 -18.717 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.046 -3.957 -18.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.568 -3.489 -17.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.836 -2.804 -17.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.024 -4.175 -16.435 1.00 0.00 H new ATOM 197 N ILE A 17 -5.816 -8.007 -20.509 1.00 0.00 N ATOM 198 CA ILE A 17 -6.351 -7.350 -21.696 1.00 0.00 C ATOM 199 C ILE A 17 -7.007 -6.022 -21.339 1.00 0.00 C ATOM 200 O ILE A 17 -6.897 -5.043 -22.078 1.00 0.00 O ATOM 201 CB ILE A 17 -7.381 -8.241 -22.416 1.00 0.00 C ATOM 202 CG1 ILE A 17 -6.781 -9.618 -22.708 1.00 0.00 C ATOM 203 CG2 ILE A 17 -7.847 -7.577 -23.703 1.00 0.00 C ATOM 204 CD1 ILE A 17 -6.673 -10.502 -21.485 1.00 0.00 C ATOM 0 H ILE A 17 -6.524 -8.400 -19.888 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.509 -7.169 -22.364 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.245 -8.373 -21.764 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.393 -10.121 -23.457 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.789 -9.489 -23.142 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.574 -8.218 -24.201 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.308 -6.617 -23.471 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.992 -7.419 -24.361 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.240 -11.462 -21.767 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.036 -10.020 -20.743 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.665 -10.662 -21.063 1.00 0.00 H new ATOM 216 N THR A 18 -7.689 -5.991 -20.198 1.00 0.00 N ATOM 217 CA THR A 18 -8.363 -4.782 -19.742 1.00 0.00 C ATOM 218 C THR A 18 -8.318 -4.668 -18.223 1.00 0.00 C ATOM 219 O THR A 18 -8.779 -5.559 -17.508 1.00 0.00 O ATOM 220 CB THR A 18 -9.832 -4.749 -20.204 1.00 0.00 C ATOM 221 OG1 THR A 18 -10.525 -5.904 -19.717 1.00 0.00 O ATOM 222 CG2 THR A 18 -9.921 -4.701 -21.721 1.00 0.00 C ATOM 0 H THR A 18 -7.789 -6.790 -19.573 1.00 0.00 H new ATOM 0 HA THR A 18 -7.832 -3.939 -20.184 1.00 0.00 H new ATOM 0 HB THR A 18 -10.297 -3.850 -19.800 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.190 -6.135 -18.826 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.968 -4.678 -22.024 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.418 -3.806 -22.087 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.441 -5.584 -22.142 1.00 0.00 H new ATOM 230 N ASP A 19 -7.760 -3.566 -17.733 1.00 0.00 N ATOM 231 CA ASP A 19 -7.655 -3.334 -16.298 1.00 0.00 C ATOM 232 C ASP A 19 -9.036 -3.313 -15.649 1.00 0.00 C ATOM 233 O ASP A 19 -9.853 -2.437 -15.935 1.00 0.00 O ATOM 234 CB ASP A 19 -6.929 -2.016 -16.023 1.00 0.00 C ATOM 235 CG ASP A 19 -5.425 -2.143 -16.169 1.00 0.00 C ATOM 236 OD1 ASP A 19 -4.921 -1.959 -17.296 1.00 0.00 O ATOM 237 OD2 ASP A 19 -4.753 -2.425 -15.155 1.00 0.00 O ATOM 0 H ASP A 19 -7.373 -2.819 -18.310 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.081 -4.153 -15.864 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.295 -1.253 -16.710 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.166 -1.677 -15.014 1.00 0.00 H new ATOM 242 N ASP A 20 -9.289 -4.281 -14.776 1.00 0.00 N ATOM 243 CA ASP A 20 -10.571 -4.373 -14.086 1.00 0.00 C ATOM 244 C ASP A 20 -11.053 -2.994 -13.648 1.00 0.00 C ATOM 245 O ASP A 20 -10.271 -2.047 -13.574 1.00 0.00 O ATOM 246 CB ASP A 20 -10.456 -5.297 -12.873 1.00 0.00 C ATOM 247 CG ASP A 20 -9.748 -6.597 -13.200 1.00 0.00 C ATOM 248 OD1 ASP A 20 -10.261 -7.354 -14.050 1.00 0.00 O ATOM 249 OD2 ASP A 20 -8.682 -6.858 -12.604 1.00 0.00 O ATOM 0 H ASP A 20 -8.624 -5.014 -14.529 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.301 -4.788 -14.781 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.916 -4.783 -12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.453 -5.516 -12.491 1.00 0.00 H new ATOM 254 N SER A 21 -12.346 -2.890 -13.359 1.00 0.00 N ATOM 255 CA SER A 21 -12.934 -1.624 -12.933 1.00 0.00 C ATOM 256 C SER A 21 -13.378 -1.696 -11.475 1.00 0.00 C ATOM 257 O SER A 21 -14.446 -1.202 -11.115 1.00 0.00 O ATOM 258 CB SER A 21 -14.125 -1.266 -13.822 1.00 0.00 C ATOM 259 OG SER A 21 -13.693 -0.737 -15.065 1.00 0.00 O ATOM 0 H SER A 21 -13.006 -3.666 -13.412 1.00 0.00 H new ATOM 0 HA SER A 21 -12.174 -0.849 -13.027 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.735 -2.153 -13.993 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.757 -0.538 -13.313 1.00 0.00 H new ATOM 0 HG SER A 21 -14.473 -0.518 -15.616 1.00 0.00 H new ATOM 265 N ARG A 22 -12.549 -2.314 -10.640 1.00 0.00 N ATOM 266 CA ARG A 22 -12.854 -2.452 -9.221 1.00 0.00 C ATOM 267 C ARG A 22 -12.110 -1.402 -8.401 1.00 0.00 C ATOM 268 O ARG A 22 -11.273 -0.669 -8.925 1.00 0.00 O ATOM 269 CB ARG A 22 -12.485 -3.854 -8.732 1.00 0.00 C ATOM 270 CG ARG A 22 -10.986 -4.107 -8.685 1.00 0.00 C ATOM 271 CD ARG A 22 -10.678 -5.562 -8.369 1.00 0.00 C ATOM 272 NE ARG A 22 -10.872 -6.428 -9.529 1.00 0.00 N ATOM 273 CZ ARG A 22 -11.118 -7.730 -9.442 1.00 0.00 C ATOM 274 NH1 ARG A 22 -11.201 -8.314 -8.254 1.00 0.00 N ATOM 275 NH2 ARG A 22 -11.283 -8.451 -10.544 1.00 0.00 N ATOM 0 H ARG A 22 -11.660 -2.727 -10.922 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.925 -2.299 -9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.902 -4.004 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.949 -4.592 -9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.540 -3.839 -9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.531 -3.465 -7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.648 -5.647 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.318 -5.899 -7.554 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.815 -6.009 -10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.076 -7.763 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.390 -9.314 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.221 -8.005 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.472 -9.451 -10.476 1.00 0.00 H new ATOM 289 N ARG A 23 -12.423 -1.337 -7.110 1.00 0.00 N ATOM 290 CA ARG A 23 -11.786 -0.376 -6.217 1.00 0.00 C ATOM 291 C ARG A 23 -10.695 -1.047 -5.387 1.00 0.00 C ATOM 292 O ARG A 23 -9.568 -0.555 -5.311 1.00 0.00 O ATOM 293 CB ARG A 23 -12.826 0.261 -5.294 1.00 0.00 C ATOM 294 CG ARG A 23 -13.586 1.410 -5.936 1.00 0.00 C ATOM 295 CD ARG A 23 -14.736 1.876 -5.057 1.00 0.00 C ATOM 296 NE ARG A 23 -15.024 3.297 -5.240 1.00 0.00 N ATOM 297 CZ ARG A 23 -14.172 4.265 -4.926 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.985 3.969 -4.416 1.00 0.00 N ATOM 299 NH2 ARG A 23 -14.506 5.534 -5.122 1.00 0.00 N ATOM 0 H ARG A 23 -13.113 -1.938 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.327 0.402 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.537 -0.503 -4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.328 0.623 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.905 2.242 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.972 1.096 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.628 1.293 -5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.493 1.687 -4.011 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.929 3.559 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.724 2.995 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.333 4.715 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.418 5.766 -5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.850 6.277 -4.880 1.00 0.00 H new ATOM 313 N CYS A 24 -11.039 -2.170 -4.765 1.00 0.00 N ATOM 314 CA CYS A 24 -10.089 -2.907 -3.939 1.00 0.00 C ATOM 315 C CYS A 24 -8.710 -2.936 -4.589 1.00 0.00 C ATOM 316 O CYS A 24 -8.529 -3.519 -5.658 1.00 0.00 O ATOM 317 CB CYS A 24 -10.587 -4.334 -3.705 1.00 0.00 C ATOM 318 SG CYS A 24 -9.409 -5.391 -2.830 1.00 0.00 S ATOM 0 H CYS A 24 -11.967 -2.589 -4.817 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.006 -2.396 -2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -11.516 -4.295 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.821 -4.788 -4.668 1.00 0.00 H new ATOM 0 HG CYS A 24 -9.920 -6.577 -2.677 1.00 0.00 H new ATOM 324 N SER A 25 -7.741 -2.301 -3.938 1.00 0.00 N ATOM 325 CA SER A 25 -6.379 -2.250 -4.456 1.00 0.00 C ATOM 326 C SER A 25 -5.524 -3.357 -3.847 1.00 0.00 C ATOM 327 O SER A 25 -5.071 -3.249 -2.706 1.00 0.00 O ATOM 328 CB SER A 25 -5.751 -0.885 -4.163 1.00 0.00 C ATOM 329 OG SER A 25 -6.342 0.129 -4.958 1.00 0.00 O ATOM 0 H SER A 25 -7.874 -1.815 -3.051 1.00 0.00 H new ATOM 0 HA SER A 25 -6.421 -2.399 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.875 -0.643 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.679 -0.925 -4.357 1.00 0.00 H new ATOM 0 HG SER A 25 -7.300 -0.052 -5.060 1.00 0.00 H new ATOM 335 N GLN A 26 -5.308 -4.420 -4.615 1.00 0.00 N ATOM 336 CA GLN A 26 -4.509 -5.547 -4.151 1.00 0.00 C ATOM 337 C GLN A 26 -3.062 -5.126 -3.909 1.00 0.00 C ATOM 338 O GLN A 26 -2.463 -4.429 -4.727 1.00 0.00 O ATOM 339 CB GLN A 26 -4.555 -6.687 -5.170 1.00 0.00 C ATOM 340 CG GLN A 26 -4.290 -8.056 -4.566 1.00 0.00 C ATOM 341 CD GLN A 26 -3.766 -9.051 -5.582 1.00 0.00 C ATOM 342 OE1 GLN A 26 -2.613 -8.973 -6.007 1.00 0.00 O ATOM 343 NE2 GLN A 26 -4.612 -9.995 -5.976 1.00 0.00 N ATOM 0 H GLN A 26 -5.675 -4.524 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.931 -5.894 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.534 -6.694 -5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.819 -6.495 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.569 -7.957 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.211 -8.440 -4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.559 -10.022 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.315 -10.694 -6.657 1.00 0.00 H new ATOM 352 N VAL A 27 -2.508 -5.554 -2.778 1.00 0.00 N ATOM 353 CA VAL A 27 -1.133 -5.221 -2.427 1.00 0.00 C ATOM 354 C VAL A 27 -0.350 -6.468 -2.033 1.00 0.00 C ATOM 355 O VAL A 27 -0.932 -7.509 -1.727 1.00 0.00 O ATOM 356 CB VAL A 27 -1.078 -4.205 -1.271 1.00 0.00 C ATOM 357 CG1 VAL A 27 0.331 -3.654 -1.112 1.00 0.00 C ATOM 358 CG2 VAL A 27 -2.077 -3.082 -1.502 1.00 0.00 C ATOM 0 H VAL A 27 -2.991 -6.132 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.679 -4.775 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.348 -4.716 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.351 -2.938 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.019 -4.471 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.634 -3.157 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.025 -2.373 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.840 -2.570 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.083 -3.497 -1.561 1.00 0.00 H new ATOM 368 N LYS A 28 0.974 -6.356 -2.040 1.00 0.00 N ATOM 369 CA LYS A 28 1.839 -7.473 -1.681 1.00 0.00 C ATOM 370 C LYS A 28 2.260 -7.386 -0.217 1.00 0.00 C ATOM 371 O LYS A 28 3.098 -6.561 0.151 1.00 0.00 O ATOM 372 CB LYS A 28 3.078 -7.495 -2.579 1.00 0.00 C ATOM 373 CG LYS A 28 2.756 -7.643 -4.055 1.00 0.00 C ATOM 374 CD LYS A 28 2.185 -9.016 -4.367 1.00 0.00 C ATOM 375 CE LYS A 28 2.441 -9.412 -5.812 1.00 0.00 C ATOM 376 NZ LYS A 28 3.867 -9.772 -6.047 1.00 0.00 N ATOM 0 H LYS A 28 1.472 -5.502 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 28 1.277 -8.396 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.641 -6.574 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.724 -8.318 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.041 -6.875 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.659 -7.482 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.630 -9.756 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.112 -9.018 -4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.805 -10.258 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.162 -8.588 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.956 -10.256 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.446 -8.908 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.195 -10.403 -5.288 1.00 0.00 H new ATOM 390 N LEU A 29 1.676 -8.243 0.613 1.00 0.00 N ATOM 391 CA LEU A 29 1.992 -8.264 2.038 1.00 0.00 C ATOM 392 C LEU A 29 3.476 -8.534 2.262 1.00 0.00 C ATOM 393 O LEU A 29 4.077 -9.364 1.581 1.00 0.00 O ATOM 394 CB LEU A 29 1.155 -9.328 2.750 1.00 0.00 C ATOM 395 CG LEU A 29 1.144 -9.260 4.277 1.00 0.00 C ATOM 396 CD1 LEU A 29 0.276 -8.105 4.754 1.00 0.00 C ATOM 397 CD2 LEU A 29 0.654 -10.576 4.866 1.00 0.00 C ATOM 0 H LEU A 29 0.982 -8.932 0.325 1.00 0.00 H new ATOM 0 HA LEU A 29 1.753 -7.285 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.127 -9.251 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.522 -10.310 2.452 1.00 0.00 H new ATOM 0 HG LEU A 29 2.164 -9.088 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.280 -8.072 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.670 -7.168 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.745 -8.246 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.653 -10.510 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.357 -10.778 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.316 -11.384 4.553 1.00 0.00 H new ATOM 409 N GLY A 30 4.062 -7.827 3.224 1.00 0.00 N ATOM 410 CA GLY A 30 5.471 -8.007 3.523 1.00 0.00 C ATOM 411 C GLY A 30 6.370 -7.438 2.443 1.00 0.00 C ATOM 412 O GLY A 30 7.530 -7.830 2.321 1.00 0.00 O ATOM 0 H GLY A 30 3.586 -7.133 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.702 -7.527 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.681 -9.070 3.644 1.00 0.00 H new ATOM 416 N SER A 31 5.833 -6.510 1.657 1.00 0.00 N ATOM 417 CA SER A 31 6.593 -5.889 0.578 1.00 0.00 C ATOM 418 C SER A 31 6.152 -4.444 0.364 1.00 0.00 C ATOM 419 O SER A 31 4.965 -4.164 0.203 1.00 0.00 O ATOM 420 CB SER A 31 6.421 -6.683 -0.718 1.00 0.00 C ATOM 421 OG SER A 31 6.777 -8.043 -0.533 1.00 0.00 O ATOM 0 H SER A 31 4.875 -6.172 1.747 1.00 0.00 H new ATOM 0 HA SER A 31 7.646 -5.891 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.386 -6.617 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.039 -6.245 -1.502 1.00 0.00 H new ATOM 0 HG SER A 31 6.657 -8.530 -1.375 1.00 0.00 H new ATOM 427 N ALA A 32 7.118 -3.532 0.364 1.00 0.00 N ATOM 428 CA ALA A 32 6.831 -2.116 0.169 1.00 0.00 C ATOM 429 C ALA A 32 6.034 -1.890 -1.113 1.00 0.00 C ATOM 430 O ALA A 32 6.395 -2.391 -2.176 1.00 0.00 O ATOM 431 CB ALA A 32 8.123 -1.314 0.136 1.00 0.00 C ATOM 0 H ALA A 32 8.106 -3.748 0.497 1.00 0.00 H new ATOM 0 HA ALA A 32 6.226 -1.774 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.893 -0.259 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.655 -1.442 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.749 -1.666 -0.684 1.00 0.00 H new ATOM 437 N ALA A 33 4.948 -1.131 -1.002 1.00 0.00 N ATOM 438 CA ALA A 33 4.101 -0.838 -2.151 1.00 0.00 C ATOM 439 C ALA A 33 3.620 0.610 -2.123 1.00 0.00 C ATOM 440 O ALA A 33 3.408 1.183 -1.055 1.00 0.00 O ATOM 441 CB ALA A 33 2.915 -1.789 -2.190 1.00 0.00 C ATOM 0 H ALA A 33 4.635 -0.708 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 33 4.695 -0.979 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.291 -1.558 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.274 -2.815 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.328 -1.676 -1.278 1.00 0.00 H new ATOM 447 N ASP A 34 3.450 1.195 -3.304 1.00 0.00 N ATOM 448 CA ASP A 34 2.993 2.575 -3.414 1.00 0.00 C ATOM 449 C ASP A 34 1.479 2.662 -3.249 1.00 0.00 C ATOM 450 O ASP A 34 0.754 1.720 -3.570 1.00 0.00 O ATOM 451 CB ASP A 34 3.406 3.164 -4.765 1.00 0.00 C ATOM 452 CG ASP A 34 2.805 4.535 -5.006 1.00 0.00 C ATOM 453 OD1 ASP A 34 2.894 5.390 -4.099 1.00 0.00 O ATOM 454 OD2 ASP A 34 2.246 4.753 -6.101 1.00 0.00 O ATOM 0 H ASP A 34 3.622 0.735 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 34 3.460 3.151 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.493 3.234 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.096 2.489 -5.563 1.00 0.00 H new ATOM 459 N PHE A 35 1.009 3.797 -2.743 1.00 0.00 N ATOM 460 CA PHE A 35 -0.419 4.006 -2.533 1.00 0.00 C ATOM 461 C PHE A 35 -0.843 5.392 -3.012 1.00 0.00 C ATOM 462 O PHE A 35 -0.460 6.407 -2.429 1.00 0.00 O ATOM 463 CB PHE A 35 -0.768 3.837 -1.052 1.00 0.00 C ATOM 464 CG PHE A 35 -0.566 2.438 -0.545 1.00 0.00 C ATOM 465 CD1 PHE A 35 0.709 1.938 -0.340 1.00 0.00 C ATOM 466 CD2 PHE A 35 -1.652 1.622 -0.274 1.00 0.00 C ATOM 467 CE1 PHE A 35 0.899 0.651 0.127 1.00 0.00 C ATOM 468 CE2 PHE A 35 -1.469 0.335 0.195 1.00 0.00 C ATOM 469 CZ PHE A 35 -0.192 -0.152 0.394 1.00 0.00 C ATOM 0 H PHE A 35 1.596 4.586 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.959 3.259 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.157 4.520 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.808 4.125 -0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.566 2.562 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.653 1.996 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.899 0.274 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.324 -0.290 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.047 -1.159 0.758 1.00 0.00 H new ATOM 479 N LEU A 36 -1.635 5.425 -4.078 1.00 0.00 N ATOM 480 CA LEU A 36 -2.111 6.686 -4.638 1.00 0.00 C ATOM 481 C LEU A 36 -3.417 7.116 -3.977 1.00 0.00 C ATOM 482 O LEU A 36 -4.395 6.366 -3.964 1.00 0.00 O ATOM 483 CB LEU A 36 -2.309 6.553 -6.148 1.00 0.00 C ATOM 484 CG LEU A 36 -2.139 7.837 -6.963 1.00 0.00 C ATOM 485 CD1 LEU A 36 -0.669 8.093 -7.254 1.00 0.00 C ATOM 486 CD2 LEU A 36 -2.935 7.756 -8.257 1.00 0.00 C ATOM 0 H LEU A 36 -1.961 4.594 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.358 7.450 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.603 5.812 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.309 6.161 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.522 8.671 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.567 9.010 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.125 8.195 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.260 7.257 -7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.803 8.677 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.582 6.912 -8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.992 7.621 -8.026 1.00 0.00 H new ATOM 498 N LEU A 37 -3.427 8.327 -3.431 1.00 0.00 N ATOM 499 CA LEU A 37 -4.614 8.859 -2.770 1.00 0.00 C ATOM 500 C LEU A 37 -4.917 10.274 -3.251 1.00 0.00 C ATOM 501 O LEU A 37 -4.010 11.090 -3.419 1.00 0.00 O ATOM 502 CB LEU A 37 -4.424 8.851 -1.253 1.00 0.00 C ATOM 503 CG LEU A 37 -3.548 9.968 -0.682 1.00 0.00 C ATOM 504 CD1 LEU A 37 -3.435 9.837 0.829 1.00 0.00 C ATOM 505 CD2 LEU A 37 -2.169 9.946 -1.325 1.00 0.00 C ATOM 0 H LEU A 37 -2.627 8.959 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.460 8.221 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.406 8.910 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.990 7.893 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.018 10.925 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.808 10.640 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.427 9.903 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.988 8.875 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.560 10.747 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.691 8.986 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.267 10.089 -2.401 1.00 0.00 H new ATOM 517 N ASP A 38 -6.195 10.559 -3.468 1.00 0.00 N ATOM 518 CA ASP A 38 -6.618 11.879 -3.925 1.00 0.00 C ATOM 519 C ASP A 38 -6.689 12.861 -2.760 1.00 0.00 C ATOM 520 O ASP A 38 -7.664 12.877 -2.008 1.00 0.00 O ATOM 521 CB ASP A 38 -7.979 11.790 -4.617 1.00 0.00 C ATOM 522 CG ASP A 38 -8.043 10.661 -5.627 1.00 0.00 C ATOM 523 OD1 ASP A 38 -7.285 10.708 -6.619 1.00 0.00 O ATOM 524 OD2 ASP A 38 -8.849 9.729 -5.425 1.00 0.00 O ATOM 0 H ASP A 38 -6.957 9.895 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.879 12.243 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.756 11.646 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.191 12.734 -5.118 1.00 0.00 H new ATOM 529 N ILE A 39 -5.650 13.676 -2.616 1.00 0.00 N ATOM 530 CA ILE A 39 -5.594 14.660 -1.543 1.00 0.00 C ATOM 531 C ILE A 39 -5.346 16.061 -2.094 1.00 0.00 C ATOM 532 O ILE A 39 -4.524 16.249 -2.991 1.00 0.00 O ATOM 533 CB ILE A 39 -4.494 14.319 -0.522 1.00 0.00 C ATOM 534 CG1 ILE A 39 -3.216 13.887 -1.243 1.00 0.00 C ATOM 535 CG2 ILE A 39 -4.970 13.227 0.424 1.00 0.00 C ATOM 536 CD1 ILE A 39 -1.993 13.883 -0.353 1.00 0.00 C ATOM 0 H ILE A 39 -4.835 13.674 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.562 14.635 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.274 15.211 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.360 12.888 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.040 14.555 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.181 12.997 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.856 13.569 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.214 12.331 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.124 13.567 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.824 14.887 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.149 13.193 0.476 1.00 0.00 H new ATOM 548 N SER A 40 -6.059 17.040 -1.549 1.00 0.00 N ATOM 549 CA SER A 40 -5.917 18.424 -1.987 1.00 0.00 C ATOM 550 C SER A 40 -4.748 19.101 -1.278 1.00 0.00 C ATOM 551 O SER A 40 -4.819 20.278 -0.927 1.00 0.00 O ATOM 552 CB SER A 40 -7.208 19.201 -1.721 1.00 0.00 C ATOM 553 OG SER A 40 -7.379 20.245 -2.664 1.00 0.00 O ATOM 0 H SER A 40 -6.741 16.901 -0.803 1.00 0.00 H new ATOM 0 HA SER A 40 -5.717 18.421 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.060 18.523 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.185 19.617 -0.714 1.00 0.00 H new ATOM 0 HG SER A 40 -8.212 20.725 -2.473 1.00 0.00 H new ATOM 559 N GLU A 41 -3.673 18.347 -1.071 1.00 0.00 N ATOM 560 CA GLU A 41 -2.489 18.873 -0.403 1.00 0.00 C ATOM 561 C GLU A 41 -1.222 18.504 -1.170 1.00 0.00 C ATOM 562 O GLU A 41 -0.958 17.330 -1.430 1.00 0.00 O ATOM 563 CB GLU A 41 -2.404 18.340 1.029 1.00 0.00 C ATOM 564 CG GLU A 41 -3.612 18.691 1.881 1.00 0.00 C ATOM 565 CD GLU A 41 -3.961 20.166 1.819 1.00 0.00 C ATOM 566 OE1 GLU A 41 -3.032 20.992 1.710 1.00 0.00 O ATOM 567 OE2 GLU A 41 -5.165 20.493 1.879 1.00 0.00 O ATOM 0 H GLU A 41 -3.598 17.371 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.573 19.959 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.294 17.256 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.507 18.738 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.469 18.104 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.416 18.411 2.916 1.00 0.00 H new ATOM 574 N THR A 42 -0.440 19.517 -1.532 1.00 0.00 N ATOM 575 CA THR A 42 0.797 19.301 -2.271 1.00 0.00 C ATOM 576 C THR A 42 1.977 19.111 -1.324 1.00 0.00 C ATOM 577 O THR A 42 2.579 18.039 -1.275 1.00 0.00 O ATOM 578 CB THR A 42 1.098 20.477 -3.219 1.00 0.00 C ATOM 579 OG1 THR A 42 0.939 21.719 -2.524 1.00 0.00 O ATOM 580 CG2 THR A 42 0.177 20.446 -4.430 1.00 0.00 C ATOM 0 H THR A 42 -0.642 20.495 -1.325 1.00 0.00 H new ATOM 0 HA THR A 42 0.659 18.395 -2.861 1.00 0.00 H new ATOM 0 HB THR A 42 2.128 20.383 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.134 22.462 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.409 21.286 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.321 19.512 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.860 20.518 -4.101 1.00 0.00 H new ATOM 588 N ASP A 43 2.301 20.159 -0.574 1.00 0.00 N ATOM 589 CA ASP A 43 3.408 20.107 0.373 1.00 0.00 C ATOM 590 C ASP A 43 3.515 18.725 1.010 1.00 0.00 C ATOM 591 O ASP A 43 2.544 18.211 1.568 1.00 0.00 O ATOM 592 CB ASP A 43 3.229 21.169 1.458 1.00 0.00 C ATOM 593 CG ASP A 43 3.130 22.571 0.886 1.00 0.00 C ATOM 594 OD1 ASP A 43 2.002 23.008 0.582 1.00 0.00 O ATOM 595 OD2 ASP A 43 4.183 23.228 0.741 1.00 0.00 O ATOM 0 H ASP A 43 1.813 21.054 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 43 4.330 20.308 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.329 20.950 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.069 21.121 2.151 1.00 0.00 H new ATOM 600 N LEU A 44 4.698 18.128 0.922 1.00 0.00 N ATOM 601 CA LEU A 44 4.931 16.804 1.490 1.00 0.00 C ATOM 602 C LEU A 44 5.262 16.899 2.976 1.00 0.00 C ATOM 603 O LEU A 44 4.543 16.361 3.818 1.00 0.00 O ATOM 604 CB LEU A 44 6.069 16.102 0.746 1.00 0.00 C ATOM 605 CG LEU A 44 5.657 15.228 -0.439 1.00 0.00 C ATOM 606 CD1 LEU A 44 6.736 15.238 -1.510 1.00 0.00 C ATOM 607 CD2 LEU A 44 5.373 13.806 0.021 1.00 0.00 C ATOM 0 H LEU A 44 5.511 18.539 0.463 1.00 0.00 H new ATOM 0 HA LEU A 44 4.017 16.221 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.765 16.861 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.613 15.481 1.458 1.00 0.00 H new ATOM 0 HG LEU A 44 4.744 15.639 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.425 14.611 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.891 16.258 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.666 14.852 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.081 13.198 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.269 13.385 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.565 13.815 0.752 1.00 0.00 H new ATOM 619 N SER A 45 6.354 17.588 3.291 1.00 0.00 N ATOM 620 CA SER A 45 6.780 17.753 4.676 1.00 0.00 C ATOM 621 C SER A 45 5.647 18.311 5.531 1.00 0.00 C ATOM 622 O SER A 45 5.414 17.851 6.649 1.00 0.00 O ATOM 623 CB SER A 45 7.995 18.680 4.750 1.00 0.00 C ATOM 624 OG SER A 45 8.370 18.922 6.096 1.00 0.00 O ATOM 0 H SER A 45 6.960 18.041 2.606 1.00 0.00 H new ATOM 0 HA SER A 45 7.055 16.773 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.831 18.234 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.766 19.625 4.257 1.00 0.00 H new ATOM 0 HG SER A 45 9.149 19.516 6.117 1.00 0.00 H new ATOM 630 N SER A 46 4.945 19.305 4.997 1.00 0.00 N ATOM 631 CA SER A 46 3.838 19.929 5.711 1.00 0.00 C ATOM 632 C SER A 46 2.801 18.889 6.122 1.00 0.00 C ATOM 633 O SER A 46 2.038 19.094 7.068 1.00 0.00 O ATOM 634 CB SER A 46 3.183 21.003 4.842 1.00 0.00 C ATOM 635 OG SER A 46 3.939 22.202 4.854 1.00 0.00 O ATOM 0 H SER A 46 5.123 19.696 4.072 1.00 0.00 H new ATOM 0 HA SER A 46 4.237 20.395 6.612 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.089 20.639 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.174 21.202 5.204 1.00 0.00 H new ATOM 0 HG SER A 46 3.499 22.872 4.289 1.00 0.00 H new ATOM 641 N LEU A 47 2.777 17.771 5.405 1.00 0.00 N ATOM 642 CA LEU A 47 1.833 16.696 5.693 1.00 0.00 C ATOM 643 C LEU A 47 2.504 15.583 6.493 1.00 0.00 C ATOM 644 O LEU A 47 3.730 15.536 6.607 1.00 0.00 O ATOM 645 CB LEU A 47 1.261 16.131 4.392 1.00 0.00 C ATOM 646 CG LEU A 47 0.599 17.142 3.455 1.00 0.00 C ATOM 647 CD1 LEU A 47 0.384 16.532 2.079 1.00 0.00 C ATOM 648 CD2 LEU A 47 -0.719 17.626 4.038 1.00 0.00 C ATOM 0 H LEU A 47 3.401 17.585 4.620 1.00 0.00 H new ATOM 0 HA LEU A 47 1.020 17.109 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.066 15.636 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.528 15.365 4.643 1.00 0.00 H new ATOM 0 HG LEU A 47 1.263 18.000 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.088 17.266 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.345 16.236 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.259 15.656 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.176 18.345 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.390 16.778 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.538 18.103 5.001 1.00 0.00 H new ATOM 660 N THR A 48 1.692 14.687 7.044 1.00 0.00 N ATOM 661 CA THR A 48 2.205 13.573 7.833 1.00 0.00 C ATOM 662 C THR A 48 1.681 12.241 7.309 1.00 0.00 C ATOM 663 O THR A 48 0.677 12.195 6.600 1.00 0.00 O ATOM 664 CB THR A 48 1.826 13.714 9.318 1.00 0.00 C ATOM 665 OG1 THR A 48 2.058 15.057 9.758 1.00 0.00 O ATOM 666 CG2 THR A 48 2.628 12.747 10.176 1.00 0.00 C ATOM 0 H THR A 48 0.676 14.711 6.959 1.00 0.00 H new ATOM 0 HA THR A 48 3.291 13.594 7.741 1.00 0.00 H new ATOM 0 HB THR A 48 0.768 13.476 9.424 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.813 15.139 10.703 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.343 12.865 11.221 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.425 11.724 9.858 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.692 12.958 10.064 1.00 0.00 H new ATOM 674 N ALA A 49 2.365 11.159 7.666 1.00 0.00 N ATOM 675 CA ALA A 49 1.966 9.826 7.234 1.00 0.00 C ATOM 676 C ALA A 49 2.035 8.831 8.389 1.00 0.00 C ATOM 677 O ALA A 49 3.076 8.681 9.029 1.00 0.00 O ATOM 678 CB ALA A 49 2.842 9.359 6.080 1.00 0.00 C ATOM 0 H ALA A 49 3.198 11.180 8.254 1.00 0.00 H new ATOM 0 HA ALA A 49 0.932 9.877 6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.532 8.362 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.739 10.049 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.883 9.331 6.402 1.00 0.00 H new ATOM 684 N SER A 50 0.920 8.157 8.650 1.00 0.00 N ATOM 685 CA SER A 50 0.853 7.180 9.731 1.00 0.00 C ATOM 686 C SER A 50 -0.152 6.079 9.407 1.00 0.00 C ATOM 687 O SER A 50 -1.260 6.352 8.944 1.00 0.00 O ATOM 688 CB SER A 50 0.470 7.866 11.043 1.00 0.00 C ATOM 689 OG SER A 50 1.618 8.343 11.723 1.00 0.00 O ATOM 0 H SER A 50 0.051 8.269 8.128 1.00 0.00 H new ATOM 0 HA SER A 50 1.838 6.727 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.207 8.696 10.839 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.069 7.165 11.680 1.00 0.00 H new ATOM 0 HG SER A 50 2.314 8.568 11.071 1.00 0.00 H new ATOM 695 N ILE A 51 0.243 4.834 9.654 1.00 0.00 N ATOM 696 CA ILE A 51 -0.622 3.692 9.389 1.00 0.00 C ATOM 697 C ILE A 51 -0.455 2.617 10.458 1.00 0.00 C ATOM 698 O ILE A 51 0.654 2.354 10.923 1.00 0.00 O ATOM 699 CB ILE A 51 -0.336 3.076 8.008 1.00 0.00 C ATOM 700 CG1 ILE A 51 -0.504 4.128 6.911 1.00 0.00 C ATOM 701 CG2 ILE A 51 -1.253 1.888 7.757 1.00 0.00 C ATOM 702 CD1 ILE A 51 0.071 3.708 5.576 1.00 0.00 C ATOM 0 H ILE A 51 1.157 4.591 10.037 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.647 4.062 9.406 1.00 0.00 H new ATOM 0 HB ILE A 51 0.695 2.723 7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.565 4.346 6.788 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.023 5.053 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.038 1.463 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.087 1.132 8.524 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.292 2.217 7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.084 4.503 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.139 3.518 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.427 2.800 5.235 1.00 0.00 H new ATOM 714 N LYS A 52 -1.565 1.996 10.844 1.00 0.00 N ATOM 715 CA LYS A 52 -1.544 0.947 11.856 1.00 0.00 C ATOM 716 C LYS A 52 -2.496 -0.186 11.485 1.00 0.00 C ATOM 717 O LYS A 52 -3.711 0.000 11.445 1.00 0.00 O ATOM 718 CB LYS A 52 -1.924 1.520 13.223 1.00 0.00 C ATOM 719 CG LYS A 52 -1.905 0.491 14.340 1.00 0.00 C ATOM 720 CD LYS A 52 -1.532 1.121 15.672 1.00 0.00 C ATOM 721 CE LYS A 52 -2.762 1.596 16.428 1.00 0.00 C ATOM 722 NZ LYS A 52 -2.418 2.598 17.474 1.00 0.00 N ATOM 0 H LYS A 52 -2.491 2.202 10.470 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.532 0.546 11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.236 2.328 13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.920 1.957 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.885 0.022 14.420 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.193 -0.298 14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.988 0.397 16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.861 1.963 15.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.473 2.033 15.727 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.255 0.742 16.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.284 2.897 17.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.759 2.174 18.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.970 3.425 17.029 1.00 0.00 H new ATOM 736 N ALA A 53 -1.934 -1.360 11.216 1.00 0.00 N ATOM 737 CA ALA A 53 -2.734 -2.524 10.852 1.00 0.00 C ATOM 738 C ALA A 53 -3.950 -2.661 11.762 1.00 0.00 C ATOM 739 O ALA A 53 -4.073 -1.979 12.780 1.00 0.00 O ATOM 740 CB ALA A 53 -1.885 -3.785 10.909 1.00 0.00 C ATOM 0 H ALA A 53 -0.929 -1.530 11.243 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.091 -2.385 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.494 -4.646 10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.051 -3.694 10.213 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.500 -3.919 11.920 1.00 0.00 H new ATOM 746 N PRO A 54 -4.871 -3.561 11.388 1.00 0.00 N ATOM 747 CA PRO A 54 -6.094 -3.807 12.158 1.00 0.00 C ATOM 748 C PRO A 54 -5.813 -4.500 13.487 1.00 0.00 C ATOM 749 O PRO A 54 -6.660 -4.515 14.380 1.00 0.00 O ATOM 750 CB PRO A 54 -6.912 -4.721 11.240 1.00 0.00 C ATOM 751 CG PRO A 54 -5.900 -5.402 10.385 1.00 0.00 C ATOM 752 CD PRO A 54 -4.789 -4.408 10.187 1.00 0.00 C ATOM 0 HA PRO A 54 -6.603 -2.880 12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.494 -5.441 11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.618 -4.149 10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.531 -6.309 10.864 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.333 -5.699 9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.819 -4.900 10.107 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.927 -3.827 9.275 1.00 0.00 H new ATOM 760 N SER A 55 -4.620 -5.073 13.610 1.00 0.00 N ATOM 761 CA SER A 55 -4.230 -5.770 14.830 1.00 0.00 C ATOM 762 C SER A 55 -3.517 -4.825 15.792 1.00 0.00 C ATOM 763 O SER A 55 -3.061 -5.234 16.858 1.00 0.00 O ATOM 764 CB SER A 55 -3.322 -6.956 14.495 1.00 0.00 C ATOM 765 OG SER A 55 -4.079 -8.071 14.058 1.00 0.00 O ATOM 0 H SER A 55 -3.907 -5.068 12.880 1.00 0.00 H new ATOM 0 HA SER A 55 -5.134 -6.138 15.314 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.613 -6.667 13.719 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.738 -7.231 15.374 1.00 0.00 H new ATOM 0 HG SER A 55 -3.476 -8.814 13.849 1.00 0.00 H new ATOM 771 N GLY A 56 -3.426 -3.555 15.405 1.00 0.00 N ATOM 772 CA GLY A 56 -2.768 -2.570 16.244 1.00 0.00 C ATOM 773 C GLY A 56 -1.276 -2.496 15.990 1.00 0.00 C ATOM 774 O GLY A 56 -0.545 -1.833 16.727 1.00 0.00 O ATOM 0 H GLY A 56 -3.796 -3.192 14.527 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.213 -1.591 16.066 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.943 -2.814 17.292 1.00 0.00 H new ATOM 778 N ARG A 57 -0.821 -3.180 14.944 1.00 0.00 N ATOM 779 CA ARG A 57 0.595 -3.191 14.596 1.00 0.00 C ATOM 780 C ARG A 57 0.931 -2.043 13.649 1.00 0.00 C ATOM 781 O ARG A 57 0.523 -2.044 12.488 1.00 0.00 O ATOM 782 CB ARG A 57 0.973 -4.525 13.952 1.00 0.00 C ATOM 783 CG ARG A 57 0.543 -5.737 14.763 1.00 0.00 C ATOM 784 CD ARG A 57 1.591 -6.116 15.798 1.00 0.00 C ATOM 785 NE ARG A 57 1.233 -7.335 16.518 1.00 0.00 N ATOM 786 CZ ARG A 57 2.078 -8.003 17.296 1.00 0.00 C ATOM 787 NH1 ARG A 57 3.321 -7.572 17.455 1.00 0.00 N ATOM 788 NH2 ARG A 57 1.678 -9.104 17.919 1.00 0.00 N ATOM 0 H ARG A 57 -1.412 -3.733 14.324 1.00 0.00 H new ATOM 0 HA ARG A 57 1.170 -3.062 15.513 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.521 -4.582 12.962 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.053 -4.557 13.811 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.403 -5.525 15.262 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.369 -6.580 14.095 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.553 -6.255 15.305 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.712 -5.298 16.508 1.00 0.00 H new ATOM 0 HE ARG A 57 0.283 -7.693 16.418 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.632 -6.725 16.979 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.967 -8.087 18.053 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.721 -9.438 17.801 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.327 -9.616 18.516 1.00 0.00 H new ATOM 802 N ASP A 58 1.676 -1.065 14.153 1.00 0.00 N ATOM 803 CA ASP A 58 2.066 0.088 13.352 1.00 0.00 C ATOM 804 C ASP A 58 2.981 -0.330 12.205 1.00 0.00 C ATOM 805 O ASP A 58 3.830 -1.207 12.365 1.00 0.00 O ATOM 806 CB ASP A 58 2.769 1.130 14.226 1.00 0.00 C ATOM 807 CG ASP A 58 3.685 2.034 13.427 1.00 0.00 C ATOM 808 OD1 ASP A 58 4.821 1.610 13.123 1.00 0.00 O ATOM 809 OD2 ASP A 58 3.268 3.165 13.102 1.00 0.00 O ATOM 0 H ASP A 58 2.022 -1.048 15.113 1.00 0.00 H new ATOM 0 HA ASP A 58 1.162 0.528 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.020 1.736 14.736 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.348 0.622 14.997 1.00 0.00 H new ATOM 814 N GLU A 59 2.800 0.300 11.049 1.00 0.00 N ATOM 815 CA GLU A 59 3.608 -0.009 9.876 1.00 0.00 C ATOM 816 C GLU A 59 4.472 1.184 9.480 1.00 0.00 C ATOM 817 O GLU A 59 4.055 2.339 9.562 1.00 0.00 O ATOM 818 CB GLU A 59 2.711 -0.414 8.704 1.00 0.00 C ATOM 819 CG GLU A 59 1.867 -1.647 8.980 1.00 0.00 C ATOM 820 CD GLU A 59 0.502 -1.307 9.547 1.00 0.00 C ATOM 821 OE1 GLU A 59 0.326 -0.166 10.024 1.00 0.00 O ATOM 822 OE2 GLU A 59 -0.388 -2.181 9.514 1.00 0.00 O ATOM 0 H GLU A 59 2.101 1.028 10.900 1.00 0.00 H new ATOM 0 HA GLU A 59 4.264 -0.842 10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.052 0.419 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.333 -0.599 7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.742 -2.211 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.395 -2.295 9.679 1.00 0.00 H new ATOM 829 N PRO A 60 5.707 0.899 9.040 1.00 0.00 N ATOM 830 CA PRO A 60 6.657 1.934 8.624 1.00 0.00 C ATOM 831 C PRO A 60 6.244 2.609 7.320 1.00 0.00 C ATOM 832 O PRO A 60 6.568 2.131 6.232 1.00 0.00 O ATOM 833 CB PRO A 60 7.964 1.160 8.433 1.00 0.00 C ATOM 834 CG PRO A 60 7.539 -0.236 8.138 1.00 0.00 C ATOM 835 CD PRO A 60 6.271 -0.456 8.917 1.00 0.00 C ATOM 0 HA PRO A 60 6.726 2.741 9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.554 1.575 7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.584 1.204 9.328 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.370 -0.375 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.308 -0.949 8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.590 -1.129 8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.471 -0.898 9.893 1.00 0.00 H new ATOM 843 N CYS A 61 5.528 3.722 7.437 1.00 0.00 N ATOM 844 CA CYS A 61 5.069 4.463 6.267 1.00 0.00 C ATOM 845 C CYS A 61 5.910 5.718 6.055 1.00 0.00 C ATOM 846 O CYS A 61 6.413 6.310 7.010 1.00 0.00 O ATOM 847 CB CYS A 61 3.596 4.841 6.422 1.00 0.00 C ATOM 848 SG CYS A 61 3.259 5.942 7.817 1.00 0.00 S ATOM 0 H CYS A 61 5.253 4.131 8.330 1.00 0.00 H new ATOM 0 HA CYS A 61 5.181 3.821 5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.257 5.321 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.009 3.930 6.542 1.00 0.00 H new ATOM 0 HG CYS A 61 4.349 6.568 8.149 1.00 0.00 H new ATOM 854 N LEU A 62 6.058 6.118 4.797 1.00 0.00 N ATOM 855 CA LEU A 62 6.840 7.302 4.458 1.00 0.00 C ATOM 856 C LEU A 62 6.228 8.036 3.268 1.00 0.00 C ATOM 857 O LEU A 62 5.969 7.438 2.223 1.00 0.00 O ATOM 858 CB LEU A 62 8.285 6.911 4.143 1.00 0.00 C ATOM 859 CG LEU A 62 9.335 8.004 4.343 1.00 0.00 C ATOM 860 CD1 LEU A 62 9.099 9.155 3.377 1.00 0.00 C ATOM 861 CD2 LEU A 62 9.320 8.502 5.781 1.00 0.00 C ATOM 0 H LEU A 62 5.647 5.640 3.995 1.00 0.00 H new ATOM 0 HA LEU A 62 6.831 7.971 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.554 6.058 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.332 6.575 3.107 1.00 0.00 H new ATOM 0 HG LEU A 62 10.317 7.579 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.856 9.923 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.161 8.789 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.110 9.579 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.074 9.280 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.336 8.910 6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.539 7.674 6.455 1.00 0.00 H new ATOM 873 N LEU A 63 6.003 9.334 3.435 1.00 0.00 N ATOM 874 CA LEU A 63 5.424 10.152 2.374 1.00 0.00 C ATOM 875 C LEU A 63 6.472 10.503 1.323 1.00 0.00 C ATOM 876 O LEU A 63 7.595 10.885 1.654 1.00 0.00 O ATOM 877 CB LEU A 63 4.822 11.431 2.959 1.00 0.00 C ATOM 878 CG LEU A 63 3.357 11.348 3.389 1.00 0.00 C ATOM 879 CD1 LEU A 63 3.022 12.470 4.360 1.00 0.00 C ATOM 880 CD2 LEU A 63 2.441 11.400 2.175 1.00 0.00 C ATOM 0 H LEU A 63 6.212 9.843 4.294 1.00 0.00 H new ATOM 0 HA LEU A 63 4.635 9.574 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.417 11.727 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.918 12.225 2.219 1.00 0.00 H new ATOM 0 HG LEU A 63 3.200 10.396 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.975 12.395 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.655 12.388 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.195 13.432 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.402 11.340 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.600 12.336 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.664 10.562 1.515 1.00 0.00 H new ATOM 892 N LYS A 64 6.098 10.374 0.054 1.00 0.00 N ATOM 893 CA LYS A 64 7.004 10.681 -1.046 1.00 0.00 C ATOM 894 C LYS A 64 6.258 11.355 -2.192 1.00 0.00 C ATOM 895 O LYS A 64 5.035 11.495 -2.153 1.00 0.00 O ATOM 896 CB LYS A 64 7.683 9.404 -1.546 1.00 0.00 C ATOM 897 CG LYS A 64 6.750 8.477 -2.306 1.00 0.00 C ATOM 898 CD LYS A 64 7.335 7.081 -2.435 1.00 0.00 C ATOM 899 CE LYS A 64 8.633 7.091 -3.228 1.00 0.00 C ATOM 900 NZ LYS A 64 8.866 5.798 -3.929 1.00 0.00 N ATOM 0 H LYS A 64 5.173 10.059 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 64 7.765 11.369 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.518 9.675 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.101 8.867 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.790 8.424 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.559 8.885 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.517 6.669 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.613 6.427 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.606 7.900 -3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.467 7.295 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.760 5.846 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.917 5.029 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.083 5.615 -4.589 1.00 0.00 H new ATOM 914 N ARG A 65 7.002 11.771 -3.213 1.00 0.00 N ATOM 915 CA ARG A 65 6.410 12.430 -4.371 1.00 0.00 C ATOM 916 C ARG A 65 6.404 11.501 -5.581 1.00 0.00 C ATOM 917 O ARG A 65 7.455 11.046 -6.033 1.00 0.00 O ATOM 918 CB ARG A 65 7.177 13.712 -4.701 1.00 0.00 C ATOM 919 CG ARG A 65 6.311 14.796 -5.322 1.00 0.00 C ATOM 920 CD ARG A 65 5.643 14.314 -6.600 1.00 0.00 C ATOM 921 NE ARG A 65 4.821 15.354 -7.214 1.00 0.00 N ATOM 922 CZ ARG A 65 5.321 16.450 -7.775 1.00 0.00 C ATOM 923 NH1 ARG A 65 6.632 16.647 -7.801 1.00 0.00 N ATOM 924 NH2 ARG A 65 4.509 17.349 -8.314 1.00 0.00 N ATOM 0 H ARG A 65 8.015 11.663 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 65 5.379 12.685 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.631 14.099 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.991 13.473 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.549 15.108 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.923 15.672 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.406 13.990 -7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.023 13.445 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 65 3.808 15.232 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.260 15.956 -7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.013 17.489 -8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.500 17.199 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.893 18.190 -8.744 1.00 0.00 H new ATOM 938 N LEU A 66 5.213 11.223 -6.101 1.00 0.00 N ATOM 939 CA LEU A 66 5.069 10.347 -7.260 1.00 0.00 C ATOM 940 C LEU A 66 5.116 11.149 -8.557 1.00 0.00 C ATOM 941 O LEU A 66 4.790 12.336 -8.594 1.00 0.00 O ATOM 942 CB LEU A 66 3.756 9.569 -7.174 1.00 0.00 C ATOM 943 CG LEU A 66 3.644 8.564 -6.027 1.00 0.00 C ATOM 944 CD1 LEU A 66 2.229 8.012 -5.938 1.00 0.00 C ATOM 945 CD2 LEU A 66 4.649 7.436 -6.206 1.00 0.00 C ATOM 0 H LEU A 66 4.333 11.591 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 66 5.901 9.643 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.938 10.284 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.611 9.035 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 66 3.870 9.080 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.168 7.298 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.530 8.829 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.974 7.512 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.555 6.730 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.455 6.922 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.659 7.847 -6.219 1.00 0.00 H new ATOM 957 N PRO A 67 5.531 10.486 -9.647 1.00 0.00 N ATOM 958 CA PRO A 67 5.626 11.117 -10.967 1.00 0.00 C ATOM 959 C PRO A 67 4.258 11.434 -11.558 1.00 0.00 C ATOM 960 O PRO A 67 3.230 11.234 -10.913 1.00 0.00 O ATOM 961 CB PRO A 67 6.343 10.061 -11.813 1.00 0.00 C ATOM 962 CG PRO A 67 6.033 8.766 -11.144 1.00 0.00 C ATOM 963 CD PRO A 67 5.935 9.071 -9.674 1.00 0.00 C ATOM 0 HA PRO A 67 6.145 12.074 -10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.986 10.070 -12.843 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.417 10.243 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.099 8.347 -11.519 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.813 8.030 -11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.202 8.434 -9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.887 8.915 -9.167 1.00 0.00 H new ATOM 971 N ASN A 68 4.253 11.930 -12.792 1.00 0.00 N ATOM 972 CA ASN A 68 3.009 12.276 -13.471 1.00 0.00 C ATOM 973 C ASN A 68 2.182 13.244 -12.632 1.00 0.00 C ATOM 974 O ASN A 68 0.956 13.275 -12.729 1.00 0.00 O ATOM 975 CB ASN A 68 2.196 11.014 -13.764 1.00 0.00 C ATOM 976 CG ASN A 68 2.559 10.387 -15.097 1.00 0.00 C ATOM 977 OD1 ASN A 68 2.301 10.961 -16.155 1.00 0.00 O ATOM 978 ND2 ASN A 68 3.160 9.204 -15.050 1.00 0.00 N ATOM 0 H ASN A 68 5.095 12.101 -13.341 1.00 0.00 H new ATOM 0 HA ASN A 68 3.262 12.764 -14.412 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.359 10.288 -12.968 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.134 11.260 -13.759 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.428 8.733 -15.914 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.354 8.766 -14.150 1.00 0.00 H new ATOM 985 N ASN A 69 2.862 14.035 -11.808 1.00 0.00 N ATOM 986 CA ASN A 69 2.190 15.005 -10.952 1.00 0.00 C ATOM 987 C ASN A 69 1.259 14.306 -9.964 1.00 0.00 C ATOM 988 O ASN A 69 0.082 14.652 -9.854 1.00 0.00 O ATOM 989 CB ASN A 69 1.398 16.003 -11.799 1.00 0.00 C ATOM 990 CG ASN A 69 2.275 17.096 -12.377 1.00 0.00 C ATOM 991 OD1 ASN A 69 2.373 18.189 -11.818 1.00 0.00 O ATOM 992 ND2 ASN A 69 2.917 16.805 -13.502 1.00 0.00 N ATOM 0 H ASN A 69 3.878 14.023 -11.715 1.00 0.00 H new ATOM 0 HA ASN A 69 2.952 15.543 -10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.901 15.472 -12.611 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.616 16.454 -11.188 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.522 17.501 -13.939 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.806 15.886 -13.930 1.00 0.00 H new ATOM 999 N HIS A 70 1.795 13.324 -9.248 1.00 0.00 N ATOM 1000 CA HIS A 70 1.013 12.577 -8.268 1.00 0.00 C ATOM 1001 C HIS A 70 1.806 12.373 -6.981 1.00 0.00 C ATOM 1002 O HIS A 70 3.033 12.482 -6.973 1.00 0.00 O ATOM 1003 CB HIS A 70 0.595 11.223 -8.844 1.00 0.00 C ATOM 1004 CG HIS A 70 -0.182 11.329 -10.120 1.00 0.00 C ATOM 1005 ND1 HIS A 70 -1.208 12.231 -10.304 1.00 0.00 N ATOM 1006 CD2 HIS A 70 -0.076 10.640 -11.280 1.00 0.00 C ATOM 1007 CE1 HIS A 70 -1.702 12.091 -11.521 1.00 0.00 C ATOM 1008 NE2 HIS A 70 -1.031 11.132 -12.135 1.00 0.00 N ATOM 0 H HIS A 70 2.767 13.026 -9.327 1.00 0.00 H new ATOM 0 HA HIS A 70 0.119 13.156 -8.035 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.487 10.621 -9.020 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.006 10.693 -8.105 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.629 9.850 -11.493 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.516 12.663 -11.943 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.196 10.810 -13.089 1.00 0.00 H new ATOM 1017 N ILE A 71 1.098 12.080 -5.896 1.00 0.00 N ATOM 1018 CA ILE A 71 1.736 11.861 -4.604 1.00 0.00 C ATOM 1019 C ILE A 71 1.003 10.790 -3.803 1.00 0.00 C ATOM 1020 O ILE A 71 -0.226 10.775 -3.747 1.00 0.00 O ATOM 1021 CB ILE A 71 1.791 13.159 -3.777 1.00 0.00 C ATOM 1022 CG1 ILE A 71 2.723 14.174 -4.439 1.00 0.00 C ATOM 1023 CG2 ILE A 71 2.245 12.862 -2.355 1.00 0.00 C ATOM 1024 CD1 ILE A 71 2.724 15.527 -3.762 1.00 0.00 C ATOM 0 H ILE A 71 0.082 11.989 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 71 2.753 11.526 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 71 0.790 13.588 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.738 13.776 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.429 14.299 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.279 13.789 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.544 12.172 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.238 12.412 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.408 16.195 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.718 15.946 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.047 15.416 -2.727 1.00 0.00 H new ATOM 1036 N GLY A 72 1.767 9.896 -3.182 1.00 0.00 N ATOM 1037 CA GLY A 72 1.173 8.834 -2.391 1.00 0.00 C ATOM 1038 C GLY A 72 2.007 8.483 -1.175 1.00 0.00 C ATOM 1039 O GLY A 72 2.925 9.218 -0.809 1.00 0.00 O ATOM 0 H GLY A 72 2.787 9.888 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.177 9.138 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.050 7.947 -3.012 1.00 0.00 H new ATOM 1043 N ILE A 73 1.687 7.356 -0.546 1.00 0.00 N ATOM 1044 CA ILE A 73 2.413 6.910 0.636 1.00 0.00 C ATOM 1045 C ILE A 73 3.106 5.575 0.383 1.00 0.00 C ATOM 1046 O ILE A 73 2.603 4.733 -0.361 1.00 0.00 O ATOM 1047 CB ILE A 73 1.477 6.766 1.851 1.00 0.00 C ATOM 1048 CG1 ILE A 73 2.273 6.348 3.089 1.00 0.00 C ATOM 1049 CG2 ILE A 73 0.377 5.758 1.556 1.00 0.00 C ATOM 1050 CD1 ILE A 73 1.529 6.565 4.388 1.00 0.00 C ATOM 0 H ILE A 73 0.930 6.736 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 73 3.162 7.672 0.853 1.00 0.00 H new ATOM 0 HB ILE A 73 1.013 7.732 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.537 5.294 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.207 6.909 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.276 5.668 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.205 6.095 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.822 4.788 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.154 6.247 5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.289 7.623 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.608 5.982 4.381 1.00 0.00 H new ATOM 1062 N SER A 74 4.264 5.388 1.009 1.00 0.00 N ATOM 1063 CA SER A 74 5.029 4.156 0.850 1.00 0.00 C ATOM 1064 C SER A 74 5.235 3.468 2.195 1.00 0.00 C ATOM 1065 O SER A 74 5.900 4.001 3.083 1.00 0.00 O ATOM 1066 CB SER A 74 6.383 4.452 0.203 1.00 0.00 C ATOM 1067 OG SER A 74 7.075 3.253 -0.104 1.00 0.00 O ATOM 0 H SER A 74 4.693 6.074 1.631 1.00 0.00 H new ATOM 0 HA SER A 74 4.463 3.487 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.235 5.034 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.986 5.061 0.876 1.00 0.00 H new ATOM 0 HG SER A 74 7.936 3.469 -0.518 1.00 0.00 H new ATOM 1073 N PHE A 75 4.659 2.279 2.338 1.00 0.00 N ATOM 1074 CA PHE A 75 4.778 1.516 3.575 1.00 0.00 C ATOM 1075 C PHE A 75 4.718 0.017 3.298 1.00 0.00 C ATOM 1076 O PHE A 75 4.333 -0.408 2.208 1.00 0.00 O ATOM 1077 CB PHE A 75 3.666 1.910 4.551 1.00 0.00 C ATOM 1078 CG PHE A 75 2.333 1.304 4.218 1.00 0.00 C ATOM 1079 CD1 PHE A 75 1.456 1.952 3.363 1.00 0.00 C ATOM 1080 CD2 PHE A 75 1.957 0.085 4.759 1.00 0.00 C ATOM 1081 CE1 PHE A 75 0.229 1.397 3.054 1.00 0.00 C ATOM 1082 CE2 PHE A 75 0.731 -0.476 4.454 1.00 0.00 C ATOM 1083 CZ PHE A 75 -0.135 0.181 3.601 1.00 0.00 C ATOM 0 H PHE A 75 4.105 1.823 1.613 1.00 0.00 H new ATOM 0 HA PHE A 75 5.745 1.747 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.953 1.606 5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.570 2.996 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.735 2.903 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.630 -0.433 5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.445 1.913 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.450 -1.427 4.882 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.094 -0.255 3.362 1.00 0.00 H new ATOM 1093 N ILE A 76 5.102 -0.778 4.291 1.00 0.00 N ATOM 1094 CA ILE A 76 5.092 -2.230 4.155 1.00 0.00 C ATOM 1095 C ILE A 76 4.061 -2.861 5.083 1.00 0.00 C ATOM 1096 O ILE A 76 4.243 -2.932 6.299 1.00 0.00 O ATOM 1097 CB ILE A 76 6.477 -2.833 4.456 1.00 0.00 C ATOM 1098 CG1 ILE A 76 7.544 -2.182 3.575 1.00 0.00 C ATOM 1099 CG2 ILE A 76 6.455 -4.339 4.246 1.00 0.00 C ATOM 1100 CD1 ILE A 76 8.912 -2.135 4.217 1.00 0.00 C ATOM 0 H ILE A 76 5.424 -0.442 5.198 1.00 0.00 H new ATOM 0 HA ILE A 76 4.828 -2.449 3.121 1.00 0.00 H new ATOM 0 HB ILE A 76 6.725 -2.635 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.611 -2.730 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.232 -1.167 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.441 -4.751 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.719 -4.789 4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.189 -4.558 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.618 -1.660 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.860 -1.562 5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.246 -3.149 4.437 1.00 0.00 H new ATOM 1112 N PRO A 77 2.951 -3.337 4.499 1.00 0.00 N ATOM 1113 CA PRO A 77 1.869 -3.975 5.254 1.00 0.00 C ATOM 1114 C PRO A 77 2.275 -5.335 5.812 1.00 0.00 C ATOM 1115 O PRO A 77 2.830 -6.169 5.097 1.00 0.00 O ATOM 1116 CB PRO A 77 0.756 -4.134 4.216 1.00 0.00 C ATOM 1117 CG PRO A 77 1.464 -4.178 2.906 1.00 0.00 C ATOM 1118 CD PRO A 77 2.667 -3.288 3.055 1.00 0.00 C ATOM 0 HA PRO A 77 1.578 -3.386 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.182 -5.045 4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.053 -3.302 4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.761 -5.197 2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.817 -3.829 2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.510 -3.650 2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.459 -2.272 2.721 1.00 0.00 H new ATOM 1126 N ARG A 78 1.996 -5.551 7.093 1.00 0.00 N ATOM 1127 CA ARG A 78 2.333 -6.810 7.747 1.00 0.00 C ATOM 1128 C ARG A 78 1.130 -7.748 7.773 1.00 0.00 C ATOM 1129 O ARG A 78 1.284 -8.970 7.788 1.00 0.00 O ATOM 1130 CB ARG A 78 2.825 -6.553 9.172 1.00 0.00 C ATOM 1131 CG ARG A 78 4.078 -5.696 9.240 1.00 0.00 C ATOM 1132 CD ARG A 78 5.269 -6.400 8.607 1.00 0.00 C ATOM 1133 NE ARG A 78 5.679 -7.575 9.370 1.00 0.00 N ATOM 1134 CZ ARG A 78 6.357 -7.511 10.511 1.00 0.00 C ATOM 1135 NH1 ARG A 78 6.699 -6.334 11.017 1.00 0.00 N ATOM 1136 NH2 ARG A 78 6.695 -8.625 11.147 1.00 0.00 N ATOM 0 H ARG A 78 1.537 -4.871 7.699 1.00 0.00 H new ATOM 0 HA ARG A 78 3.130 -7.286 7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.031 -6.066 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.023 -7.509 9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.901 -4.749 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.303 -5.461 10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.015 -6.699 7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.105 -5.704 8.535 1.00 0.00 H new ATOM 0 HE ARG A 78 5.431 -8.496 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.442 -5.475 10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.219 -6.287 11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.434 -9.532 10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.215 -8.574 12.023 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.066 -7.168 7.780 1.00 0.00 N ATOM 1151 CA GLU A 79 -1.295 -7.954 7.806 1.00 0.00 C ATOM 1152 C GLU A 79 -2.229 -7.541 6.671 1.00 0.00 C ATOM 1153 O GLU A 79 -1.908 -6.654 5.880 1.00 0.00 O ATOM 1154 CB GLU A 79 -2.004 -7.787 9.151 1.00 0.00 C ATOM 1155 CG GLU A 79 -1.571 -8.799 10.198 1.00 0.00 C ATOM 1156 CD GLU A 79 -1.754 -10.232 9.734 1.00 0.00 C ATOM 1157 OE1 GLU A 79 -2.771 -10.513 9.066 1.00 0.00 O ATOM 1158 OE2 GLU A 79 -0.880 -11.071 10.038 1.00 0.00 O ATOM 0 H GLU A 79 -0.210 -6.158 7.768 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.029 -9.002 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.815 -6.782 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.080 -7.873 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.523 -8.633 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.145 -8.640 11.111 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.386 -8.191 6.599 1.00 0.00 N ATOM 1166 CA VAL A 80 -4.367 -7.893 5.562 1.00 0.00 C ATOM 1167 C VAL A 80 -5.714 -7.524 6.172 1.00 0.00 C ATOM 1168 O VAL A 80 -6.087 -8.027 7.231 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.557 -9.087 4.609 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -3.368 -9.213 3.667 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -4.760 -10.372 5.398 1.00 0.00 C ATOM 0 H VAL A 80 -3.667 -8.927 7.246 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.982 -7.045 4.996 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.450 -8.911 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.520 -10.062 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.273 -8.301 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.458 -9.366 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.893 -11.205 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.888 -10.555 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.645 -10.277 6.027 1.00 0.00 H new ATOM 1181 N GLY A 81 -6.442 -6.641 5.495 1.00 0.00 N ATOM 1182 CA GLY A 81 -7.742 -6.220 5.984 1.00 0.00 C ATOM 1183 C GLY A 81 -8.008 -4.749 5.730 1.00 0.00 C ATOM 1184 O GLY A 81 -7.750 -4.244 4.639 1.00 0.00 O ATOM 0 H GLY A 81 -6.155 -6.210 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.518 -6.815 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.806 -6.418 7.054 1.00 0.00 H new ATOM 1188 N GLU A 82 -8.525 -4.060 6.743 1.00 0.00 N ATOM 1189 CA GLU A 82 -8.828 -2.639 6.623 1.00 0.00 C ATOM 1190 C GLU A 82 -7.787 -1.798 7.356 1.00 0.00 C ATOM 1191 O GLU A 82 -7.790 -1.715 8.584 1.00 0.00 O ATOM 1192 CB GLU A 82 -10.222 -2.342 7.181 1.00 0.00 C ATOM 1193 CG GLU A 82 -10.598 -0.872 7.130 1.00 0.00 C ATOM 1194 CD GLU A 82 -11.659 -0.505 8.148 1.00 0.00 C ATOM 1195 OE1 GLU A 82 -11.649 -1.087 9.253 1.00 0.00 O ATOM 1196 OE2 GLU A 82 -12.501 0.365 7.841 1.00 0.00 O ATOM 0 H GLU A 82 -8.742 -4.463 7.655 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.804 -2.377 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.959 -2.916 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.271 -2.685 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.708 -0.267 7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.959 -0.628 6.131 1.00 0.00 H new ATOM 1203 N HIS A 83 -6.895 -1.173 6.591 1.00 0.00 N ATOM 1204 CA HIS A 83 -5.847 -0.337 7.167 1.00 0.00 C ATOM 1205 C HIS A 83 -6.249 1.134 7.139 1.00 0.00 C ATOM 1206 O HIS A 83 -6.838 1.610 6.166 1.00 0.00 O ATOM 1207 CB HIS A 83 -4.535 -0.534 6.407 1.00 0.00 C ATOM 1208 CG HIS A 83 -3.772 -1.750 6.834 1.00 0.00 C ATOM 1209 ND1 HIS A 83 -4.290 -3.026 6.764 1.00 0.00 N ATOM 1210 CD2 HIS A 83 -2.522 -1.879 7.338 1.00 0.00 C ATOM 1211 CE1 HIS A 83 -3.392 -3.888 7.208 1.00 0.00 C ATOM 1212 NE2 HIS A 83 -2.310 -3.218 7.561 1.00 0.00 N ATOM 0 H HIS A 83 -6.878 -1.230 5.573 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.706 -0.637 8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.750 -0.606 5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.908 0.346 6.547 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.822 -1.079 7.529 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.521 -4.958 7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.456 -3.628 7.938 1.00 0.00 H new ATOM 1221 N LEU A 84 -5.929 1.850 8.211 1.00 0.00 N ATOM 1222 CA LEU A 84 -6.258 3.269 8.310 1.00 0.00 C ATOM 1223 C LEU A 84 -4.994 4.123 8.293 1.00 0.00 C ATOM 1224 O LEU A 84 -4.060 3.885 9.059 1.00 0.00 O ATOM 1225 CB LEU A 84 -7.053 3.540 9.588 1.00 0.00 C ATOM 1226 CG LEU A 84 -8.565 3.331 9.495 1.00 0.00 C ATOM 1227 CD1 LEU A 84 -9.229 3.632 10.830 1.00 0.00 C ATOM 1228 CD2 LEU A 84 -9.157 4.201 8.395 1.00 0.00 C ATOM 0 H LEU A 84 -5.442 1.472 9.024 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.867 3.537 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.665 2.895 10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.867 4.569 9.897 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.753 2.287 9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.305 3.478 10.744 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.827 2.967 11.594 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.032 4.667 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.234 4.039 8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.958 5.250 8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.704 3.937 7.439 1.00 0.00 H new ATOM 1240 N VAL A 85 -4.973 5.120 7.415 1.00 0.00 N ATOM 1241 CA VAL A 85 -3.826 6.013 7.299 1.00 0.00 C ATOM 1242 C VAL A 85 -4.140 7.390 7.873 1.00 0.00 C ATOM 1243 O VAL A 85 -4.961 8.128 7.327 1.00 0.00 O ATOM 1244 CB VAL A 85 -3.381 6.169 5.833 1.00 0.00 C ATOM 1245 CG1 VAL A 85 -2.053 6.906 5.753 1.00 0.00 C ATOM 1246 CG2 VAL A 85 -3.287 4.809 5.157 1.00 0.00 C ATOM 0 H VAL A 85 -5.737 5.330 6.773 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.015 5.561 7.870 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.129 6.760 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.755 7.007 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.159 7.896 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.292 6.345 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.971 4.938 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.560 4.190 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.262 4.323 5.181 1.00 0.00 H new ATOM 1256 N SER A 86 -3.483 7.730 8.977 1.00 0.00 N ATOM 1257 CA SER A 86 -3.695 9.017 9.627 1.00 0.00 C ATOM 1258 C SER A 86 -2.859 10.106 8.961 1.00 0.00 C ATOM 1259 O SER A 86 -1.649 10.188 9.170 1.00 0.00 O ATOM 1260 CB SER A 86 -3.344 8.926 11.114 1.00 0.00 C ATOM 1261 OG SER A 86 -3.741 7.678 11.655 1.00 0.00 O ATOM 0 H SER A 86 -2.799 7.131 9.440 1.00 0.00 H new ATOM 0 HA SER A 86 -4.748 9.278 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.270 9.059 11.246 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.834 9.734 11.657 1.00 0.00 H new ATOM 0 HG SER A 86 -3.505 7.643 12.605 1.00 0.00 H new ATOM 1267 N ILE A 87 -3.514 10.940 8.161 1.00 0.00 N ATOM 1268 CA ILE A 87 -2.833 12.024 7.465 1.00 0.00 C ATOM 1269 C ILE A 87 -3.218 13.379 8.049 1.00 0.00 C ATOM 1270 O ILE A 87 -4.399 13.710 8.152 1.00 0.00 O ATOM 1271 CB ILE A 87 -3.153 12.017 5.959 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -2.953 10.614 5.380 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -2.284 13.028 5.228 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -1.569 10.053 5.623 1.00 0.00 C ATOM 0 H ILE A 87 -4.516 10.886 7.979 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.764 11.862 7.600 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.197 12.300 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.691 9.941 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.142 10.642 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -2.522 13.011 4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.472 14.025 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.233 12.774 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.498 9.057 5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.826 10.705 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.384 9.993 6.695 1.00 0.00 H new ATOM 1286 N LYS A 88 -2.212 14.161 8.428 1.00 0.00 N ATOM 1287 CA LYS A 88 -2.445 15.483 8.999 1.00 0.00 C ATOM 1288 C LYS A 88 -1.396 16.477 8.511 1.00 0.00 C ATOM 1289 O LYS A 88 -0.413 16.097 7.874 1.00 0.00 O ATOM 1290 CB LYS A 88 -2.423 15.412 10.527 1.00 0.00 C ATOM 1291 CG LYS A 88 -2.924 14.089 11.082 1.00 0.00 C ATOM 1292 CD LYS A 88 -2.470 13.879 12.518 1.00 0.00 C ATOM 1293 CE LYS A 88 -2.766 12.465 12.993 1.00 0.00 C ATOM 1294 NZ LYS A 88 -1.637 11.537 12.709 1.00 0.00 N ATOM 0 H LYS A 88 -1.228 13.902 8.350 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.427 15.826 8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.404 15.580 10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.035 16.220 10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.013 14.063 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.559 13.271 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.400 14.074 12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.972 14.595 13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.966 12.476 14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.669 12.099 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.878 10.584 13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.462 11.506 11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.781 11.872 13.196 1.00 0.00 H new ATOM 1308 N LYS A 89 -1.610 17.753 8.816 1.00 0.00 N ATOM 1309 CA LYS A 89 -0.682 18.803 8.411 1.00 0.00 C ATOM 1310 C LYS A 89 -0.233 19.625 9.615 1.00 0.00 C ATOM 1311 O LYS A 89 -0.990 20.440 10.139 1.00 0.00 O ATOM 1312 CB LYS A 89 -1.335 19.715 7.372 1.00 0.00 C ATOM 1313 CG LYS A 89 -0.503 20.939 7.028 1.00 0.00 C ATOM 1314 CD LYS A 89 -1.168 21.781 5.952 1.00 0.00 C ATOM 1315 CE LYS A 89 -0.751 21.335 4.558 1.00 0.00 C ATOM 1316 NZ LYS A 89 -0.762 22.464 3.588 1.00 0.00 N ATOM 0 H LYS A 89 -2.418 18.085 9.342 1.00 0.00 H new ATOM 0 HA LYS A 89 0.195 18.329 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.518 19.143 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.306 20.039 7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.354 21.542 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.484 20.625 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.251 21.709 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.904 22.829 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.248 20.901 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.424 20.551 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.336 22.205 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.169 23.307 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.211 22.670 3.284 1.00 0.00 H new ATOM 1330 N ASN A 90 1.005 19.405 10.046 1.00 0.00 N ATOM 1331 CA ASN A 90 1.556 20.127 11.187 1.00 0.00 C ATOM 1332 C ASN A 90 0.761 19.827 12.455 1.00 0.00 C ATOM 1333 O ASN A 90 0.723 20.635 13.382 1.00 0.00 O ATOM 1334 CB ASN A 90 1.553 21.633 10.916 1.00 0.00 C ATOM 1335 CG ASN A 90 2.701 22.060 10.021 1.00 0.00 C ATOM 1336 OD1 ASN A 90 3.855 22.096 10.448 1.00 0.00 O ATOM 1337 ND2 ASN A 90 2.387 22.388 8.773 1.00 0.00 N ATOM 0 H ASN A 90 1.645 18.733 9.623 1.00 0.00 H new ATOM 0 HA ASN A 90 2.583 19.793 11.334 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.608 21.914 10.450 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.614 22.170 11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.116 22.685 8.125 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.416 22.343 8.463 1.00 0.00 H new ATOM 1344 N GLY A 91 0.130 18.658 12.489 1.00 0.00 N ATOM 1345 CA GLY A 91 -0.654 18.271 13.647 1.00 0.00 C ATOM 1346 C GLY A 91 -2.132 18.555 13.469 1.00 0.00 C ATOM 1347 O GLY A 91 -2.887 18.582 14.438 1.00 0.00 O ATOM 0 H GLY A 91 0.148 17.971 11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.512 17.207 13.839 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.288 18.804 14.524 1.00 0.00 H new ATOM 1351 N ASN A 92 -2.545 18.771 12.223 1.00 0.00 N ATOM 1352 CA ASN A 92 -3.943 19.057 11.921 1.00 0.00 C ATOM 1353 C ASN A 92 -4.445 18.175 10.782 1.00 0.00 C ATOM 1354 O ASN A 92 -4.151 18.426 9.612 1.00 0.00 O ATOM 1355 CB ASN A 92 -4.114 20.533 11.551 1.00 0.00 C ATOM 1356 CG ASN A 92 -4.026 21.444 12.759 1.00 0.00 C ATOM 1357 OD1 ASN A 92 -4.954 21.520 13.564 1.00 0.00 O ATOM 1358 ND2 ASN A 92 -2.904 22.143 12.892 1.00 0.00 N ATOM 0 H ASN A 92 -1.932 18.753 11.408 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.533 18.841 12.812 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.347 20.815 10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.078 20.673 11.063 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.787 22.773 13.685 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.160 22.049 12.201 1.00 0.00 H new ATOM 1365 N HIS A 93 -5.203 17.141 11.132 1.00 0.00 N ATOM 1366 CA HIS A 93 -5.748 16.221 10.139 1.00 0.00 C ATOM 1367 C HIS A 93 -6.139 16.966 8.866 1.00 0.00 C ATOM 1368 O HIS A 93 -6.491 18.145 8.906 1.00 0.00 O ATOM 1369 CB HIS A 93 -6.961 15.484 10.706 1.00 0.00 C ATOM 1370 CG HIS A 93 -6.613 14.203 11.400 1.00 0.00 C ATOM 1371 ND1 HIS A 93 -6.713 12.968 10.794 1.00 0.00 N ATOM 1372 CD2 HIS A 93 -6.163 13.970 12.654 1.00 0.00 C ATOM 1373 CE1 HIS A 93 -6.342 12.031 11.647 1.00 0.00 C ATOM 1374 NE2 HIS A 93 -6.002 12.612 12.783 1.00 0.00 N ATOM 0 H HIS A 93 -5.454 16.919 12.095 1.00 0.00 H new ATOM 0 HA HIS A 93 -4.975 15.494 9.891 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.478 16.139 11.407 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -7.658 15.271 9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -5.967 14.713 13.413 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -6.320 10.969 11.449 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.673 12.131 13.620 1.00 0.00 H new ATOM 1383 N VAL A 94 -6.075 16.269 7.735 1.00 0.00 N ATOM 1384 CA VAL A 94 -6.422 16.864 6.450 1.00 0.00 C ATOM 1385 C VAL A 94 -7.644 16.184 5.842 1.00 0.00 C ATOM 1386 O VAL A 94 -8.150 15.199 6.380 1.00 0.00 O ATOM 1387 CB VAL A 94 -5.250 16.775 5.455 1.00 0.00 C ATOM 1388 CG1 VAL A 94 -4.019 17.468 6.016 1.00 0.00 C ATOM 1389 CG2 VAL A 94 -4.949 15.323 5.117 1.00 0.00 C ATOM 0 H VAL A 94 -5.786 15.292 7.683 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.649 17.913 6.638 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.536 17.286 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.202 17.395 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.245 18.518 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.726 16.989 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.118 15.278 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.683 14.785 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.830 14.864 4.669 1.00 0.00 H new ATOM 1399 N ALA A 95 -8.113 16.715 4.718 1.00 0.00 N ATOM 1400 CA ALA A 95 -9.274 16.158 4.035 1.00 0.00 C ATOM 1401 C ALA A 95 -8.973 14.767 3.488 1.00 0.00 C ATOM 1402 O ALA A 95 -7.857 14.489 3.052 1.00 0.00 O ATOM 1403 CB ALA A 95 -9.720 17.084 2.913 1.00 0.00 C ATOM 0 H ALA A 95 -7.706 17.531 4.261 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.083 16.067 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.588 16.656 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.984 18.057 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.908 17.203 2.195 1.00 0.00 H new ATOM 1409 N ASN A 96 -9.977 13.896 3.517 1.00 0.00 N ATOM 1410 CA ASN A 96 -9.819 12.532 3.025 1.00 0.00 C ATOM 1411 C ASN A 96 -8.927 11.717 3.957 1.00 0.00 C ATOM 1412 O ASN A 96 -8.271 10.767 3.531 1.00 0.00 O ATOM 1413 CB ASN A 96 -9.227 12.542 1.614 1.00 0.00 C ATOM 1414 CG ASN A 96 -9.897 13.561 0.714 1.00 0.00 C ATOM 1415 OD1 ASN A 96 -10.914 13.275 0.081 1.00 0.00 O ATOM 1416 ND2 ASN A 96 -9.327 14.760 0.650 1.00 0.00 N ATOM 0 H ASN A 96 -10.908 14.110 3.876 1.00 0.00 H new ATOM 0 HA ASN A 96 -10.804 12.067 2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -8.160 12.758 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.328 11.550 1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -9.732 15.486 0.059 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -8.485 14.954 1.192 1.00 0.00 H new ATOM 1423 N SER A 97 -8.911 12.096 5.231 1.00 0.00 N ATOM 1424 CA SER A 97 -8.097 11.403 6.224 1.00 0.00 C ATOM 1425 C SER A 97 -8.904 11.123 7.488 1.00 0.00 C ATOM 1426 O SER A 97 -9.758 11.911 7.897 1.00 0.00 O ATOM 1427 CB SER A 97 -6.858 12.231 6.568 1.00 0.00 C ATOM 1428 OG SER A 97 -6.178 11.691 7.687 1.00 0.00 O ATOM 0 H SER A 97 -9.452 12.878 5.600 1.00 0.00 H new ATOM 0 HA SER A 97 -7.781 10.451 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.187 12.260 5.710 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.151 13.260 6.778 1.00 0.00 H new ATOM 0 HG SER A 97 -5.598 12.376 8.079 1.00 0.00 H new ATOM 1434 N PRO A 98 -8.628 9.975 8.123 1.00 0.00 N ATOM 1435 CA PRO A 98 -7.616 9.030 7.645 1.00 0.00 C ATOM 1436 C PRO A 98 -8.037 8.330 6.358 1.00 0.00 C ATOM 1437 O PRO A 98 -9.226 8.221 6.059 1.00 0.00 O ATOM 1438 CB PRO A 98 -7.505 8.019 8.790 1.00 0.00 C ATOM 1439 CG PRO A 98 -8.823 8.085 9.482 1.00 0.00 C ATOM 1440 CD PRO A 98 -9.286 9.510 9.356 1.00 0.00 C ATOM 0 HA PRO A 98 -6.677 9.528 7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.305 7.016 8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.689 8.275 9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.538 7.401 9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.729 7.796 10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.371 9.575 9.281 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.990 10.106 10.219 1.00 0.00 H new ATOM 1448 N VAL A 99 -7.054 7.857 5.597 1.00 0.00 N ATOM 1449 CA VAL A 99 -7.323 7.166 4.341 1.00 0.00 C ATOM 1450 C VAL A 99 -7.608 5.687 4.578 1.00 0.00 C ATOM 1451 O VAL A 99 -6.926 5.031 5.364 1.00 0.00 O ATOM 1452 CB VAL A 99 -6.141 7.300 3.363 1.00 0.00 C ATOM 1453 CG1 VAL A 99 -6.535 6.806 1.980 1.00 0.00 C ATOM 1454 CG2 VAL A 99 -5.659 8.742 3.305 1.00 0.00 C ATOM 0 H VAL A 99 -6.064 7.940 5.829 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.203 7.637 3.902 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.320 6.680 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.688 6.908 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.829 5.758 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.371 7.397 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.823 8.819 2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.472 9.384 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.335 9.058 4.297 1.00 0.00 H new ATOM 1464 N SER A 100 -8.621 5.169 3.891 1.00 0.00 N ATOM 1465 CA SER A 100 -9.000 3.768 4.029 1.00 0.00 C ATOM 1466 C SER A 100 -8.428 2.936 2.884 1.00 0.00 C ATOM 1467 O SER A 100 -8.703 3.199 1.714 1.00 0.00 O ATOM 1468 CB SER A 100 -10.523 3.629 4.062 1.00 0.00 C ATOM 1469 OG SER A 100 -11.086 3.874 2.786 1.00 0.00 O ATOM 0 H SER A 100 -9.194 5.698 3.234 1.00 0.00 H new ATOM 0 HA SER A 100 -8.588 3.397 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.792 2.627 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.939 4.329 4.787 1.00 0.00 H new ATOM 0 HG SER A 100 -10.372 4.085 2.148 1.00 0.00 H new ATOM 1475 N ILE A 101 -7.630 1.932 3.232 1.00 0.00 N ATOM 1476 CA ILE A 101 -7.020 1.061 2.235 1.00 0.00 C ATOM 1477 C ILE A 101 -7.331 -0.404 2.521 1.00 0.00 C ATOM 1478 O ILE A 101 -7.382 -0.824 3.676 1.00 0.00 O ATOM 1479 CB ILE A 101 -5.493 1.248 2.182 1.00 0.00 C ATOM 1480 CG1 ILE A 101 -5.146 2.710 1.888 1.00 0.00 C ATOM 1481 CG2 ILE A 101 -4.882 0.332 1.132 1.00 0.00 C ATOM 1482 CD1 ILE A 101 -3.675 3.024 2.041 1.00 0.00 C ATOM 0 H ILE A 101 -7.391 1.702 4.196 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.446 1.339 1.271 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.076 0.983 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.457 2.951 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -5.718 3.352 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.802 0.477 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.104 -0.706 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.302 0.568 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.502 4.077 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.363 2.815 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.098 2.407 1.352 1.00 0.00 H new ATOM 1494 N MET A 102 -7.538 -1.178 1.460 1.00 0.00 N ATOM 1495 CA MET A 102 -7.841 -2.597 1.597 1.00 0.00 C ATOM 1496 C MET A 102 -6.622 -3.449 1.256 1.00 0.00 C ATOM 1497 O MET A 102 -6.091 -3.375 0.147 1.00 0.00 O ATOM 1498 CB MET A 102 -9.014 -2.980 0.693 1.00 0.00 C ATOM 1499 CG MET A 102 -9.497 -4.407 0.895 1.00 0.00 C ATOM 1500 SD MET A 102 -10.623 -4.567 2.295 1.00 0.00 S ATOM 1501 CE MET A 102 -9.916 -5.981 3.137 1.00 0.00 C ATOM 0 H MET A 102 -7.501 -0.846 0.496 1.00 0.00 H new ATOM 0 HA MET A 102 -8.115 -2.785 2.635 1.00 0.00 H new ATOM 0 HB2 MET A 102 -9.842 -2.296 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.718 -2.849 -0.348 1.00 0.00 H new ATOM 0 HG2 MET A 102 -9.998 -4.748 -0.011 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.637 -5.059 1.049 1.00 0.00 H new ATOM 0 HE1 MET A 102 -10.241 -5.985 4.178 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.248 -6.898 2.650 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.828 -5.922 3.097 1.00 0.00 H new ATOM 1511 N VAL A 103 -6.183 -4.258 2.215 1.00 0.00 N ATOM 1512 CA VAL A 103 -5.027 -5.123 2.015 1.00 0.00 C ATOM 1513 C VAL A 103 -5.432 -6.593 2.034 1.00 0.00 C ATOM 1514 O VAL A 103 -6.190 -7.028 2.902 1.00 0.00 O ATOM 1515 CB VAL A 103 -3.954 -4.884 3.094 1.00 0.00 C ATOM 1516 CG1 VAL A 103 -2.734 -5.757 2.837 1.00 0.00 C ATOM 1517 CG2 VAL A 103 -3.567 -3.414 3.144 1.00 0.00 C ATOM 0 H VAL A 103 -6.611 -4.332 3.138 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.611 -4.876 1.038 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.370 -5.159 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.987 -5.574 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.027 -6.807 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.313 -5.516 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.808 -3.263 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.169 -3.109 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.446 -2.814 3.380 1.00 0.00 H new ATOM 1527 N VAL A 104 -4.921 -7.354 1.071 1.00 0.00 N ATOM 1528 CA VAL A 104 -5.229 -8.777 0.977 1.00 0.00 C ATOM 1529 C VAL A 104 -4.081 -9.545 0.332 1.00 0.00 C ATOM 1530 O VAL A 104 -3.350 -9.005 -0.498 1.00 0.00 O ATOM 1531 CB VAL A 104 -6.516 -9.021 0.167 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -7.680 -8.245 0.767 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -6.307 -8.642 -1.291 1.00 0.00 C ATOM 0 H VAL A 104 -4.292 -7.010 0.345 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.377 -9.137 1.995 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.757 -10.083 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.581 -8.430 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.842 -8.570 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.452 -7.179 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.226 -8.821 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.041 -7.587 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.504 -9.246 -1.712 1.00 0.00 H new ATOM 1543 N GLN A 105 -3.930 -10.807 0.718 1.00 0.00 N ATOM 1544 CA GLN A 105 -2.871 -11.650 0.176 1.00 0.00 C ATOM 1545 C GLN A 105 -3.280 -12.239 -1.171 1.00 0.00 C ATOM 1546 O GLN A 105 -4.431 -12.630 -1.364 1.00 0.00 O ATOM 1547 CB GLN A 105 -2.533 -12.774 1.157 1.00 0.00 C ATOM 1548 CG GLN A 105 -1.520 -12.373 2.217 1.00 0.00 C ATOM 1549 CD GLN A 105 -0.743 -13.555 2.759 1.00 0.00 C ATOM 1550 OE1 GLN A 105 0.173 -14.062 2.110 1.00 0.00 O ATOM 1551 NE2 GLN A 105 -1.104 -14.004 3.956 1.00 0.00 N ATOM 0 H GLN A 105 -4.527 -11.269 1.404 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.987 -11.030 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.449 -13.104 1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.145 -13.627 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.824 -11.649 1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.037 -11.876 3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.869 -13.555 4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.617 -14.798 4.371 1.00 0.00 H new ATOM 1560 N SER A 106 -2.328 -12.300 -2.097 1.00 0.00 N ATOM 1561 CA SER A 106 -2.590 -12.837 -3.427 1.00 0.00 C ATOM 1562 C SER A 106 -2.312 -14.337 -3.471 1.00 0.00 C ATOM 1563 O SER A 106 -1.177 -14.762 -3.683 1.00 0.00 O ATOM 1564 CB SER A 106 -1.733 -12.117 -4.469 1.00 0.00 C ATOM 1565 OG SER A 106 -0.360 -12.169 -4.124 1.00 0.00 O ATOM 0 H SER A 106 -1.369 -11.984 -1.951 1.00 0.00 H new ATOM 0 HA SER A 106 -3.643 -12.673 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.883 -12.575 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.051 -11.078 -4.551 1.00 0.00 H new ATOM 0 HG SER A 106 -0.128 -13.078 -3.842 1.00 0.00 H new ATOM 1571 N GLU A 107 -3.358 -15.133 -3.270 1.00 0.00 N ATOM 1572 CA GLU A 107 -3.227 -16.585 -3.286 1.00 0.00 C ATOM 1573 C GLU A 107 -3.947 -17.183 -4.490 1.00 0.00 C ATOM 1574 O GLU A 107 -4.695 -18.154 -4.360 1.00 0.00 O ATOM 1575 CB GLU A 107 -3.785 -17.183 -1.994 1.00 0.00 C ATOM 1576 CG GLU A 107 -3.050 -16.727 -0.745 1.00 0.00 C ATOM 1577 CD GLU A 107 -3.827 -17.013 0.527 1.00 0.00 C ATOM 1578 OE1 GLU A 107 -5.001 -16.596 0.611 1.00 0.00 O ATOM 1579 OE2 GLU A 107 -3.261 -17.655 1.435 1.00 0.00 O ATOM 0 H GLU A 107 -4.305 -14.797 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.167 -16.828 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.838 -16.914 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.738 -18.270 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.082 -17.226 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.854 -15.657 -0.814 1.00 0.00 H new ATOM 1586 N ILE A 108 -3.720 -16.597 -5.660 1.00 0.00 N ATOM 1587 CA ILE A 108 -4.347 -17.071 -6.888 1.00 0.00 C ATOM 1588 C ILE A 108 -3.319 -17.242 -8.000 1.00 0.00 C ATOM 1589 O ILE A 108 -2.604 -16.303 -8.349 1.00 0.00 O ATOM 1590 CB ILE A 108 -5.449 -16.108 -7.366 1.00 0.00 C ATOM 1591 CG1 ILE A 108 -6.520 -15.946 -6.285 1.00 0.00 C ATOM 1592 CG2 ILE A 108 -6.068 -16.612 -8.661 1.00 0.00 C ATOM 1593 CD1 ILE A 108 -7.345 -14.688 -6.435 1.00 0.00 C ATOM 0 H ILE A 108 -3.106 -15.792 -5.784 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.795 -18.038 -6.660 1.00 0.00 H new ATOM 0 HB ILE A 108 -5.001 -15.133 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.183 -16.811 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.039 -15.941 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.845 -15.920 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.298 -16.680 -9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.505 -17.597 -8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.083 -14.640 -5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.693 -13.816 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.854 -14.700 -7.399 1.00 0.00 H new ATOM 1605 N GLY A 109 -3.250 -18.449 -8.556 1.00 0.00 N ATOM 1606 CA GLY A 109 -2.308 -18.720 -9.625 1.00 0.00 C ATOM 1607 C GLY A 109 -2.882 -19.639 -10.686 1.00 0.00 C ATOM 1608 O GLY A 109 -4.066 -19.974 -10.650 1.00 0.00 O ATOM 0 H GLY A 109 -3.830 -19.243 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.008 -17.780 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.408 -19.171 -9.206 1.00 0.00 H new ATOM 1612 N ASP A 110 -2.042 -20.047 -11.631 1.00 0.00 N ATOM 1613 CA ASP A 110 -2.474 -20.931 -12.707 1.00 0.00 C ATOM 1614 C ASP A 110 -1.537 -22.129 -12.832 1.00 0.00 C ATOM 1615 O ASP A 110 -0.322 -21.971 -12.951 1.00 0.00 O ATOM 1616 CB ASP A 110 -2.529 -20.170 -14.032 1.00 0.00 C ATOM 1617 CG ASP A 110 -3.242 -20.950 -15.119 1.00 0.00 C ATOM 1618 OD1 ASP A 110 -4.481 -21.079 -15.039 1.00 0.00 O ATOM 1619 OD2 ASP A 110 -2.561 -21.431 -16.047 1.00 0.00 O ATOM 0 H ASP A 110 -1.059 -19.780 -11.674 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.473 -21.295 -12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -3.037 -19.218 -13.880 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.515 -19.942 -14.359 1.00 0.00 H new ATOM 1624 N SER A 111 -2.111 -23.328 -12.805 1.00 0.00 N ATOM 1625 CA SER A 111 -1.328 -24.553 -12.911 1.00 0.00 C ATOM 1626 C SER A 111 -1.153 -24.962 -14.371 1.00 0.00 C ATOM 1627 O SER A 111 -2.100 -25.406 -15.020 1.00 0.00 O ATOM 1628 CB SER A 111 -2.001 -25.684 -12.131 1.00 0.00 C ATOM 1629 OG SER A 111 -1.212 -26.860 -12.155 1.00 0.00 O ATOM 0 H SER A 111 -3.116 -23.477 -12.711 1.00 0.00 H new ATOM 0 HA SER A 111 -0.343 -24.362 -12.484 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.163 -25.372 -11.099 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.982 -25.892 -12.559 1.00 0.00 H new ATOM 0 HG SER A 111 -1.663 -27.567 -11.648 1.00 0.00 H new ATOM 1635 N GLY A 112 0.065 -24.808 -14.881 1.00 0.00 N ATOM 1636 CA GLY A 112 0.342 -25.165 -16.260 1.00 0.00 C ATOM 1637 C GLY A 112 1.491 -26.145 -16.386 1.00 0.00 C ATOM 1638 O GLY A 112 2.445 -26.118 -15.608 1.00 0.00 O ATOM 0 H GLY A 112 0.865 -24.442 -14.364 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.553 -25.600 -16.706 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.574 -24.263 -16.826 1.00 0.00 H new ATOM 1642 N PRO A 113 1.407 -27.037 -17.384 1.00 0.00 N ATOM 1643 CA PRO A 113 2.439 -28.048 -17.630 1.00 0.00 C ATOM 1644 C PRO A 113 3.735 -27.438 -18.154 1.00 0.00 C ATOM 1645 O PRO A 113 3.715 -26.552 -19.008 1.00 0.00 O ATOM 1646 CB PRO A 113 1.806 -28.950 -18.693 1.00 0.00 C ATOM 1647 CG PRO A 113 0.819 -28.078 -19.390 1.00 0.00 C ATOM 1648 CD PRO A 113 0.298 -27.126 -18.348 1.00 0.00 C ATOM 0 HA PRO A 113 2.720 -28.573 -16.717 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.556 -29.332 -19.386 1.00 0.00 H new ATOM 0 HB3 PRO A 113 1.320 -29.815 -18.241 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.288 -27.538 -20.212 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.009 -28.669 -19.818 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.059 -26.153 -18.776 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -0.612 -27.501 -17.880 1.00 0.00 H new ATOM 1656 N SER A 114 4.862 -27.918 -17.636 1.00 0.00 N ATOM 1657 CA SER A 114 6.168 -27.417 -18.049 1.00 0.00 C ATOM 1658 C SER A 114 7.287 -28.258 -17.447 1.00 0.00 C ATOM 1659 O SER A 114 7.557 -28.186 -16.247 1.00 0.00 O ATOM 1660 CB SER A 114 6.331 -25.954 -17.631 1.00 0.00 C ATOM 1661 OG SER A 114 6.330 -25.823 -16.221 1.00 0.00 O ATOM 0 H SER A 114 4.897 -28.653 -16.930 1.00 0.00 H new ATOM 0 HA SER A 114 6.230 -27.486 -19.135 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.263 -25.559 -18.035 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.522 -25.359 -18.055 1.00 0.00 H new ATOM 0 HG SER A 114 6.770 -26.601 -15.820 1.00 0.00 H new ATOM 1667 N SER A 115 7.938 -29.056 -18.287 1.00 0.00 N ATOM 1668 CA SER A 115 9.027 -29.915 -17.838 1.00 0.00 C ATOM 1669 C SER A 115 10.328 -29.564 -18.554 1.00 0.00 C ATOM 1670 O SER A 115 10.328 -29.250 -19.744 1.00 0.00 O ATOM 1671 CB SER A 115 8.679 -31.385 -18.081 1.00 0.00 C ATOM 1672 OG SER A 115 9.604 -32.242 -17.433 1.00 0.00 O ATOM 0 H SER A 115 7.730 -29.125 -19.283 1.00 0.00 H new ATOM 0 HA SER A 115 9.166 -29.753 -16.769 1.00 0.00 H new ATOM 0 HB2 SER A 115 7.672 -31.589 -17.716 1.00 0.00 H new ATOM 0 HB3 SER A 115 8.677 -31.589 -19.152 1.00 0.00 H new ATOM 0 HG SER A 115 9.359 -33.176 -17.602 1.00 0.00 H new ATOM 1678 N GLY A 116 11.435 -29.620 -17.820 1.00 0.00 N ATOM 1679 CA GLY A 116 12.727 -29.305 -18.401 1.00 0.00 C ATOM 1680 C GLY A 116 12.851 -27.843 -18.782 1.00 0.00 C ATOM 1681 O GLY A 116 13.585 -27.089 -18.144 1.00 0.00 O ATOM 0 H GLY A 116 11.460 -29.878 -16.833 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.513 -29.560 -17.690 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.884 -29.922 -19.285 1.00 0.00 H new TER 1685 GLY A 116