USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 947 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 119 GLN : amide:sc= -0.0124 K(o=-0.79,f=-1.5) USER MOD Set 1.2: A 120 THR OG1 : rot 180:sc= -0.0113 USER MOD Set 1.3: A 122 SER OG : rot 180:sc= 0.0911 USER MOD Set 1.4: A 123 GLN :FLIP amide:sc= -0.858 F(o=-1.5,f=-0.79) USER MOD Set 2.1: A 111 SER OG : rot 180:sc= 0.571 USER MOD Set 2.2: A 115 LYS NZ :NH3+ -168:sc= 0.635 (180deg=0) USER MOD Set 3.1: A 96 THR OG1 : rot 160:sc= 0.647 USER MOD Set 3.2: A 101 THR OG1 : rot -40:sc= 1.32 USER MOD Set 4.1: A 68 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 94 LYS NZ :NH3+ -139:sc= 0.679 (180deg=0.0879) USER MOD Single : A 20 HIS : no HD1:sc=-0.00318 X(o=-0.0032,f=-0.0032) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 27 GLN : amide:sc= 0.548 K(o=0.55,f=-0.66) USER MOD Single : A 37 SER OG : rot 180:sc= -0.298 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.977 K(o=0.98,f=-2.3) USER MOD Single : A 48 ASN :FLIP amide:sc= 0.787 F(o=-0.11,f=0.79) USER MOD Single : A 49 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.011) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 80 THR OG1 : rot 105:sc= 0.647 USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00971) USER MOD Single : A 89 GLN : amide:sc= 0.0315 X(o=0.032,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= 1.12 (180deg=1.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.278 F(o=-0.79!,f=-0.28) USER MOD Single : A 114 LYS NZ :NH3+ 166:sc= 1.12 (180deg=0.981) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= -0.0563 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -6.956 -17.558 -4.550 1.00 0.00 N ATOM 2 CA GLY A 19 -7.442 -16.213 -4.205 1.00 0.00 C ATOM 3 C GLY A 19 -8.951 -16.212 -4.030 1.00 0.00 C ATOM 4 O GLY A 19 -9.472 -17.018 -3.264 1.00 0.00 O ATOM 0 HA2 GLY A 19 -6.965 -15.874 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.162 -15.508 -4.988 1.00 0.00 H new ATOM 8 N HIS A 20 -9.650 -15.317 -4.736 1.00 0.00 N ATOM 9 CA HIS A 20 -11.109 -15.181 -4.850 1.00 0.00 C ATOM 10 C HIS A 20 -11.913 -15.273 -3.534 1.00 0.00 C ATOM 11 O HIS A 20 -13.081 -15.663 -3.539 1.00 0.00 O ATOM 12 CB HIS A 20 -11.639 -16.069 -5.993 1.00 0.00 C ATOM 13 CG HIS A 20 -11.857 -17.526 -5.669 1.00 0.00 C ATOM 14 ND1 HIS A 20 -13.077 -18.119 -5.430 1.00 0.00 N ATOM 15 CD2 HIS A 20 -10.906 -18.508 -5.636 1.00 0.00 C ATOM 16 CE1 HIS A 20 -12.865 -19.431 -5.254 1.00 0.00 C ATOM 17 NE2 HIS A 20 -11.554 -19.715 -5.354 1.00 0.00 N ATOM 0 H HIS A 20 -9.170 -14.608 -5.290 1.00 0.00 H new ATOM 0 HA HIS A 20 -11.292 -14.141 -5.118 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.585 -15.651 -6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.939 -16.006 -6.826 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.847 -18.376 -5.798 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.639 -20.159 -5.059 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -11.118 -20.631 -5.245 1.00 0.00 H new ATOM 25 N MET A 21 -11.306 -14.900 -2.408 1.00 0.00 N ATOM 26 CA MET A 21 -11.911 -14.711 -1.089 1.00 0.00 C ATOM 27 C MET A 21 -10.995 -13.739 -0.335 1.00 0.00 C ATOM 28 O MET A 21 -9.909 -13.442 -0.832 1.00 0.00 O ATOM 29 CB MET A 21 -12.004 -16.073 -0.368 1.00 0.00 C ATOM 30 CG MET A 21 -13.253 -16.245 0.509 1.00 0.00 C ATOM 31 SD MET A 21 -13.333 -15.394 2.110 1.00 0.00 S ATOM 32 CE MET A 21 -14.871 -16.127 2.729 1.00 0.00 C ATOM 0 H MET A 21 -10.304 -14.708 -2.392 1.00 0.00 H new ATOM 0 HA MET A 21 -12.922 -14.309 -1.150 1.00 0.00 H new ATOM 0 HB2 MET A 21 -11.988 -16.867 -1.115 1.00 0.00 H new ATOM 0 HB3 MET A 21 -11.118 -16.202 0.254 1.00 0.00 H new ATOM 0 HG2 MET A 21 -14.113 -15.922 -0.078 1.00 0.00 H new ATOM 0 HG3 MET A 21 -13.378 -17.311 0.697 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.094 -15.724 3.717 1.00 0.00 H new ATOM 0 HE2 MET A 21 -15.688 -15.889 2.047 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.757 -17.209 2.795 1.00 0.00 H new ATOM 42 N LYS A 22 -11.368 -13.293 0.869 1.00 0.00 N ATOM 43 CA LYS A 22 -10.533 -12.562 1.835 1.00 0.00 C ATOM 44 C LYS A 22 -9.789 -11.337 1.276 1.00 0.00 C ATOM 45 O LYS A 22 -8.781 -10.930 1.856 1.00 0.00 O ATOM 46 CB LYS A 22 -9.644 -13.528 2.658 1.00 0.00 C ATOM 47 CG LYS A 22 -8.677 -14.415 1.849 1.00 0.00 C ATOM 48 CD LYS A 22 -7.528 -14.977 2.706 1.00 0.00 C ATOM 49 CE LYS A 22 -6.225 -14.249 2.351 1.00 0.00 C ATOM 50 NZ LYS A 22 -5.268 -14.183 3.470 1.00 0.00 N ATOM 0 H LYS A 22 -12.315 -13.440 1.218 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.232 -12.100 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.059 -12.939 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.294 -14.176 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.233 -15.242 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.260 -13.834 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.753 -14.848 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.419 -16.047 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.753 -14.754 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.461 -13.236 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.411 -13.680 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.701 -13.676 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.016 -15.147 3.768 1.00 0.00 H new ATOM 64 N PHE A 23 -10.347 -10.681 0.248 1.00 0.00 N ATOM 65 CA PHE A 23 -9.768 -9.622 -0.589 1.00 0.00 C ATOM 66 C PHE A 23 -8.522 -10.124 -1.335 1.00 0.00 C ATOM 67 O PHE A 23 -8.044 -11.235 -1.103 1.00 0.00 O ATOM 68 CB PHE A 23 -9.473 -8.346 0.218 1.00 0.00 C ATOM 69 CG PHE A 23 -10.636 -7.455 0.601 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.970 -7.900 0.541 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.364 -6.134 1.008 1.00 0.00 C ATOM 72 CE1 PHE A 23 -13.015 -7.032 0.877 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.415 -5.264 1.340 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.744 -5.711 1.273 1.00 0.00 C ATOM 0 H PHE A 23 -11.300 -10.898 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.515 -9.354 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.965 -8.643 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.768 -7.745 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.187 -8.913 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.342 -5.789 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -14.037 -7.380 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.201 -4.251 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.554 -5.043 1.525 1.00 0.00 H new ATOM 84 N THR A 24 -7.979 -9.322 -2.249 1.00 0.00 N ATOM 85 CA THR A 24 -6.755 -9.634 -2.975 1.00 0.00 C ATOM 86 C THR A 24 -5.642 -8.693 -2.523 1.00 0.00 C ATOM 87 O THR A 24 -5.911 -7.534 -2.200 1.00 0.00 O ATOM 88 CB THR A 24 -7.027 -9.569 -4.486 1.00 0.00 C ATOM 89 OG1 THR A 24 -7.821 -8.476 -4.867 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.778 -10.812 -4.951 1.00 0.00 C ATOM 0 H THR A 24 -8.386 -8.423 -2.508 1.00 0.00 H new ATOM 0 HA THR A 24 -6.421 -10.648 -2.756 1.00 0.00 H new ATOM 0 HB THR A 24 -6.041 -9.481 -4.941 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.955 -8.492 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.961 -10.747 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.181 -11.699 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.730 -10.880 -4.424 1.00 0.00 H new ATOM 98 N ASP A 25 -4.392 -9.166 -2.563 1.00 0.00 N ATOM 99 CA ASP A 25 -3.198 -8.450 -2.102 1.00 0.00 C ATOM 100 C ASP A 25 -3.075 -7.082 -2.775 1.00 0.00 C ATOM 101 O ASP A 25 -2.574 -6.131 -2.175 1.00 0.00 O ATOM 102 CB ASP A 25 -1.938 -9.271 -2.420 1.00 0.00 C ATOM 103 CG ASP A 25 -1.841 -10.587 -1.653 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.338 -10.575 -0.506 1.00 0.00 O ATOM 105 OD2 ASP A 25 -2.175 -11.640 -2.239 1.00 0.00 O ATOM 0 H ASP A 25 -4.176 -10.092 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.294 -8.307 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.916 -9.484 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.058 -8.667 -2.197 1.00 0.00 H new ATOM 110 N GLN A 26 -3.573 -7.017 -4.015 1.00 0.00 N ATOM 111 CA GLN A 26 -3.720 -5.864 -4.892 1.00 0.00 C ATOM 112 C GLN A 26 -4.621 -4.799 -4.245 1.00 0.00 C ATOM 113 O GLN A 26 -4.219 -3.659 -4.020 1.00 0.00 O ATOM 114 CB GLN A 26 -4.385 -6.350 -6.199 1.00 0.00 C ATOM 115 CG GLN A 26 -3.737 -7.531 -6.935 1.00 0.00 C ATOM 116 CD GLN A 26 -4.801 -8.325 -7.696 1.00 0.00 C ATOM 117 OE1 GLN A 26 -5.104 -9.470 -7.343 1.00 0.00 O ATOM 118 NE2 GLN A 26 -5.444 -7.717 -8.677 1.00 0.00 N ATOM 0 H GLN A 26 -3.917 -7.862 -4.470 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.742 -5.422 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.415 -6.623 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.425 -5.507 -6.888 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.980 -7.166 -7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.229 -8.180 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.178 -6.772 -8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.207 -8.193 -9.159 1.00 0.00 H new ATOM 127 N GLN A 27 -5.867 -5.191 -3.959 1.00 0.00 N ATOM 128 CA GLN A 27 -6.940 -4.328 -3.486 1.00 0.00 C ATOM 129 C GLN A 27 -6.635 -3.871 -2.055 1.00 0.00 C ATOM 130 O GLN A 27 -6.913 -2.728 -1.691 1.00 0.00 O ATOM 131 CB GLN A 27 -8.277 -5.095 -3.566 1.00 0.00 C ATOM 132 CG GLN A 27 -8.672 -5.611 -4.974 1.00 0.00 C ATOM 133 CD GLN A 27 -9.523 -4.673 -5.837 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.359 -3.931 -5.331 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.399 -4.741 -7.151 1.00 0.00 N ATOM 0 H GLN A 27 -6.162 -6.162 -4.057 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.018 -3.439 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.227 -5.947 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.071 -4.443 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.758 -5.841 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.215 -6.548 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.702 -5.360 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.000 -4.175 -7.750 1.00 0.00 H new ATOM 144 N ILE A 28 -6.041 -4.749 -1.243 1.00 0.00 N ATOM 145 CA ILE A 28 -5.514 -4.405 0.071 1.00 0.00 C ATOM 146 C ILE A 28 -4.393 -3.369 -0.092 1.00 0.00 C ATOM 147 O ILE A 28 -4.304 -2.444 0.712 1.00 0.00 O ATOM 148 CB ILE A 28 -5.032 -5.681 0.804 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.189 -6.685 1.023 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.419 -5.318 2.165 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.716 -8.083 1.441 1.00 0.00 C ATOM 0 H ILE A 28 -5.913 -5.731 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.297 -3.961 0.687 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.279 -6.151 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.859 -6.293 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.768 -6.766 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.085 -6.226 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.569 -4.653 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.168 -4.818 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.580 -8.734 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.069 -8.495 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.162 -8.015 2.377 1.00 0.00 H new ATOM 163 N GLY A 29 -3.553 -3.521 -1.122 1.00 0.00 N ATOM 164 CA GLY A 29 -2.451 -2.630 -1.428 1.00 0.00 C ATOM 165 C GLY A 29 -2.904 -1.183 -1.529 1.00 0.00 C ATOM 166 O GLY A 29 -2.363 -0.343 -0.812 1.00 0.00 O ATOM 0 H GLY A 29 -3.632 -4.296 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.687 -2.718 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.990 -2.933 -2.368 1.00 0.00 H new ATOM 170 N VAL A 30 -3.887 -0.887 -2.376 1.00 0.00 N ATOM 171 CA VAL A 30 -4.385 0.479 -2.533 1.00 0.00 C ATOM 172 C VAL A 30 -4.963 0.995 -1.211 1.00 0.00 C ATOM 173 O VAL A 30 -4.705 2.136 -0.842 1.00 0.00 O ATOM 174 CB VAL A 30 -5.366 0.536 -3.721 1.00 0.00 C ATOM 175 CG1 VAL A 30 -6.162 1.845 -3.818 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.579 0.339 -5.029 1.00 0.00 C ATOM 0 H VAL A 30 -4.356 -1.575 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.568 1.159 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.093 -0.259 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.828 1.803 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.751 1.981 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.473 2.682 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.265 0.378 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.835 1.129 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.079 -0.630 -5.011 1.00 0.00 H new ATOM 186 N LEU A 31 -5.715 0.173 -0.472 1.00 0.00 N ATOM 187 CA LEU A 31 -6.339 0.601 0.780 1.00 0.00 C ATOM 188 C LEU A 31 -5.286 1.002 1.808 1.00 0.00 C ATOM 189 O LEU A 31 -5.399 2.063 2.416 1.00 0.00 O ATOM 190 CB LEU A 31 -7.221 -0.531 1.344 1.00 0.00 C ATOM 191 CG LEU A 31 -8.552 -0.698 0.598 1.00 0.00 C ATOM 192 CD1 LEU A 31 -9.254 -2.018 0.931 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.501 0.432 0.965 1.00 0.00 C ATOM 0 H LEU A 31 -5.906 -0.797 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.960 1.472 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.668 -1.469 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.425 -0.332 2.396 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.310 -0.687 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.190 -2.083 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.610 -2.853 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.463 -2.059 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.442 0.305 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.688 0.416 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.054 1.387 0.689 1.00 0.00 H new ATOM 205 N ALA A 32 -4.277 0.157 2.017 1.00 0.00 N ATOM 206 CA ALA A 32 -3.159 0.476 2.899 1.00 0.00 C ATOM 207 C ALA A 32 -2.387 1.693 2.386 1.00 0.00 C ATOM 208 O ALA A 32 -1.987 2.541 3.182 1.00 0.00 O ATOM 209 CB ALA A 32 -2.221 -0.725 3.026 1.00 0.00 C ATOM 0 H ALA A 32 -4.213 -0.763 1.581 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.563 0.715 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.392 -0.471 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.768 -1.572 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.833 -0.989 2.042 1.00 0.00 H new ATOM 215 N GLY A 33 -2.200 1.797 1.069 1.00 0.00 N ATOM 216 CA GLY A 33 -1.488 2.903 0.459 1.00 0.00 C ATOM 217 C GLY A 33 -2.206 4.222 0.682 1.00 0.00 C ATOM 218 O GLY A 33 -1.546 5.234 0.862 1.00 0.00 O ATOM 0 H GLY A 33 -2.543 1.109 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.482 2.961 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.382 2.722 -0.611 1.00 0.00 H new ATOM 222 N LEU A 34 -3.538 4.262 0.745 1.00 0.00 N ATOM 223 CA LEU A 34 -4.179 5.541 1.021 1.00 0.00 C ATOM 224 C LEU A 34 -3.860 6.065 2.421 1.00 0.00 C ATOM 225 O LEU A 34 -3.822 7.275 2.638 1.00 0.00 O ATOM 226 CB LEU A 34 -5.689 5.478 0.864 1.00 0.00 C ATOM 227 CG LEU A 34 -6.203 5.950 -0.488 1.00 0.00 C ATOM 228 CD1 LEU A 34 -5.692 5.165 -1.689 1.00 0.00 C ATOM 229 CD2 LEU A 34 -7.720 5.863 -0.454 1.00 0.00 C ATOM 0 H LEU A 34 -4.164 3.467 0.616 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.768 6.227 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.016 4.451 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.148 6.084 1.645 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.830 6.964 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.117 5.580 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.605 5.232 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.988 4.120 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.125 6.195 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.021 4.832 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.103 6.500 0.343 1.00 0.00 H new ATOM 241 N ALA A 35 -3.638 5.167 3.379 1.00 0.00 N ATOM 242 CA ALA A 35 -3.228 5.570 4.717 1.00 0.00 C ATOM 243 C ALA A 35 -1.853 6.247 4.700 1.00 0.00 C ATOM 244 O ALA A 35 -1.567 7.041 5.602 1.00 0.00 O ATOM 245 CB ALA A 35 -3.197 4.369 5.671 1.00 0.00 C ATOM 0 H ALA A 35 -3.735 4.160 3.252 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.966 6.288 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.888 4.700 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.191 3.926 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.490 3.627 5.299 1.00 0.00 H new ATOM 251 N ILE A 36 -0.996 5.944 3.722 1.00 0.00 N ATOM 252 CA ILE A 36 0.419 6.253 3.698 1.00 0.00 C ATOM 253 C ILE A 36 0.710 6.886 2.343 1.00 0.00 C ATOM 254 O ILE A 36 0.913 6.195 1.349 1.00 0.00 O ATOM 255 CB ILE A 36 1.277 4.991 3.914 1.00 0.00 C ATOM 256 CG1 ILE A 36 0.961 4.177 5.183 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.768 5.391 3.905 1.00 0.00 C ATOM 258 CD1 ILE A 36 1.028 4.891 6.536 1.00 0.00 C ATOM 0 H ILE A 36 -1.297 5.449 2.883 1.00 0.00 H new ATOM 0 HA ILE A 36 0.673 6.936 4.509 1.00 0.00 H new ATOM 0 HB ILE A 36 1.029 4.323 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.042 3.765 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.650 3.333 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.383 4.504 4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.017 5.845 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.958 6.106 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.781 4.188 7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.035 5.278 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.316 5.717 6.547 1.00 0.00 H new ATOM 270 N SER A 37 0.791 8.209 2.345 1.00 0.00 N ATOM 271 CA SER A 37 1.182 8.991 1.185 1.00 0.00 C ATOM 272 C SER A 37 0.261 8.718 -0.030 1.00 0.00 C ATOM 273 O SER A 37 0.748 8.429 -1.125 1.00 0.00 O ATOM 274 CB SER A 37 2.717 8.898 0.989 1.00 0.00 C ATOM 275 OG SER A 37 3.368 7.699 1.339 1.00 0.00 O ATOM 0 H SER A 37 0.583 8.776 3.167 1.00 0.00 H new ATOM 0 HA SER A 37 1.008 10.056 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.930 9.096 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.174 9.703 1.564 1.00 0.00 H new ATOM 0 HG SER A 37 4.328 7.784 1.161 1.00 0.00 H new ATOM 281 N PRO A 38 -1.075 8.908 0.118 1.00 0.00 N ATOM 282 CA PRO A 38 -2.053 8.695 -0.953 1.00 0.00 C ATOM 283 C PRO A 38 -1.733 9.599 -2.149 1.00 0.00 C ATOM 284 O PRO A 38 -1.889 9.183 -3.289 1.00 0.00 O ATOM 285 CB PRO A 38 -3.420 9.092 -0.374 1.00 0.00 C ATOM 286 CG PRO A 38 -3.086 10.016 0.787 1.00 0.00 C ATOM 287 CD PRO A 38 -1.739 9.492 1.278 1.00 0.00 C ATOM 0 HA PRO A 38 -2.039 7.660 -1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.035 9.597 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.978 8.218 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.020 11.056 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.844 9.970 1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.141 10.298 1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.875 8.748 2.063 1.00 0.00 H new ATOM 295 N GLU A 39 -1.297 10.839 -1.899 1.00 0.00 N ATOM 296 CA GLU A 39 -1.024 11.833 -2.934 1.00 0.00 C ATOM 297 C GLU A 39 0.109 11.371 -3.848 1.00 0.00 C ATOM 298 O GLU A 39 -0.060 11.397 -5.065 1.00 0.00 O ATOM 299 CB GLU A 39 -0.754 13.200 -2.278 1.00 0.00 C ATOM 300 CG GLU A 39 -2.107 13.839 -1.931 1.00 0.00 C ATOM 301 CD GLU A 39 -2.049 14.938 -0.875 1.00 0.00 C ATOM 302 OE1 GLU A 39 -1.836 14.632 0.316 1.00 0.00 O ATOM 303 OE2 GLU A 39 -2.436 16.091 -1.166 1.00 0.00 O ATOM 0 H GLU A 39 -1.122 11.182 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.898 11.947 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.149 13.078 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.192 13.843 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.540 14.253 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.783 13.057 -1.584 1.00 0.00 H new ATOM 310 N TRP A 40 1.208 10.867 -3.281 1.00 0.00 N ATOM 311 CA TRP A 40 2.283 10.248 -4.048 1.00 0.00 C ATOM 312 C TRP A 40 1.719 9.095 -4.872 1.00 0.00 C ATOM 313 O TRP A 40 2.020 8.979 -6.064 1.00 0.00 O ATOM 314 CB TRP A 40 3.392 9.756 -3.104 1.00 0.00 C ATOM 315 CG TRP A 40 4.299 8.698 -3.662 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.366 8.915 -4.459 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.197 7.247 -3.529 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.963 7.714 -4.793 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.232 6.642 -4.305 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.299 6.383 -2.863 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.348 5.243 -4.410 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.434 4.984 -2.945 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.488 4.415 -3.677 1.00 0.00 C ATOM 0 H TRP A 40 1.374 10.879 -2.275 1.00 0.00 H new ATOM 0 HA TRP A 40 2.718 10.983 -4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.000 10.612 -2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.927 9.369 -2.197 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.704 9.886 -4.788 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.827 7.628 -5.328 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.493 6.804 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.098 4.809 -5.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.723 4.345 -2.442 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.635 3.345 -3.675 1.00 0.00 H new ATOM 334 N LEU A 41 0.893 8.244 -4.252 1.00 0.00 N ATOM 335 CA LEU A 41 0.437 7.019 -4.895 1.00 0.00 C ATOM 336 C LEU A 41 -0.379 7.449 -6.120 1.00 0.00 C ATOM 337 O LEU A 41 -0.104 7.022 -7.240 1.00 0.00 O ATOM 338 CB LEU A 41 -0.310 6.096 -3.894 1.00 0.00 C ATOM 339 CG LEU A 41 -1.837 5.862 -3.912 1.00 0.00 C ATOM 340 CD1 LEU A 41 -2.366 5.169 -5.183 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.139 4.921 -2.735 1.00 0.00 C ATOM 0 H LEU A 41 0.531 8.386 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 41 1.265 6.396 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.150 5.112 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.071 6.469 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.318 6.839 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.446 5.046 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.130 5.779 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.896 4.191 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.209 4.718 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.597 3.985 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.825 5.392 -1.803 1.00 0.00 H new ATOM 353 N LYS A 42 -1.333 8.361 -5.927 1.00 0.00 N ATOM 354 CA LYS A 42 -2.234 8.868 -6.952 1.00 0.00 C ATOM 355 C LYS A 42 -1.474 9.615 -8.049 1.00 0.00 C ATOM 356 O LYS A 42 -1.774 9.391 -9.218 1.00 0.00 O ATOM 357 CB LYS A 42 -3.325 9.726 -6.282 1.00 0.00 C ATOM 358 CG LYS A 42 -4.281 8.844 -5.451 1.00 0.00 C ATOM 359 CD LYS A 42 -5.286 9.636 -4.603 1.00 0.00 C ATOM 360 CE LYS A 42 -6.242 8.663 -3.897 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.333 9.345 -3.166 1.00 0.00 N ATOM 0 H LYS A 42 -1.502 8.781 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.722 8.034 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.862 10.474 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.889 10.265 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.830 8.186 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.690 8.206 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.758 10.242 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.850 10.322 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.675 7.989 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.674 8.048 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.943 8.636 -2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.927 9.969 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.897 9.911 -3.832 1.00 0.00 H new ATOM 375 N GLN A 43 -0.453 10.424 -7.725 1.00 0.00 N ATOM 376 CA GLN A 43 0.376 11.098 -8.727 1.00 0.00 C ATOM 377 C GLN A 43 1.005 10.085 -9.670 1.00 0.00 C ATOM 378 O GLN A 43 1.078 10.333 -10.874 1.00 0.00 O ATOM 379 CB GLN A 43 1.498 11.919 -8.059 1.00 0.00 C ATOM 380 CG GLN A 43 1.026 13.290 -7.560 1.00 0.00 C ATOM 381 CD GLN A 43 2.072 14.056 -6.741 1.00 0.00 C ATOM 382 OE1 GLN A 43 1.714 14.898 -5.917 1.00 0.00 O ATOM 383 NE2 GLN A 43 3.366 13.853 -6.940 1.00 0.00 N ATOM 0 H GLN A 43 -0.182 10.627 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.274 11.769 -9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.903 11.354 -7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.311 12.059 -8.771 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.738 13.897 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.132 13.154 -6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.675 13.158 -7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.054 14.392 -6.413 1.00 0.00 H new ATOM 392 N ASN A 44 1.460 8.956 -9.128 1.00 0.00 N ATOM 393 CA ASN A 44 2.147 7.962 -9.921 1.00 0.00 C ATOM 394 C ASN A 44 1.157 7.083 -10.680 1.00 0.00 C ATOM 395 O ASN A 44 1.440 6.790 -11.838 1.00 0.00 O ATOM 396 CB ASN A 44 3.115 7.160 -9.058 1.00 0.00 C ATOM 397 CG ASN A 44 4.366 7.958 -8.729 1.00 0.00 C ATOM 398 OD1 ASN A 44 5.309 7.987 -9.513 1.00 0.00 O ATOM 399 ND2 ASN A 44 4.392 8.601 -7.579 1.00 0.00 N ATOM 0 H ASN A 44 1.361 8.715 -8.142 1.00 0.00 H new ATOM 0 HA ASN A 44 2.746 8.469 -10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.619 6.863 -8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.394 6.244 -9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.214 9.145 -7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.590 8.555 -6.951 1.00 0.00 H new ATOM 406 N ILE A 45 0.006 6.680 -10.113 1.00 0.00 N ATOM 407 CA ILE A 45 -1.010 5.950 -10.888 1.00 0.00 C ATOM 408 C ILE A 45 -1.419 6.805 -12.091 1.00 0.00 C ATOM 409 O ILE A 45 -1.473 6.310 -13.217 1.00 0.00 O ATOM 410 CB ILE A 45 -2.266 5.589 -10.055 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.009 4.635 -8.874 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.338 4.975 -10.976 1.00 0.00 C ATOM 413 CD1 ILE A 45 -1.649 3.192 -9.235 1.00 0.00 C ATOM 0 H ILE A 45 -0.241 6.844 -9.137 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.566 5.007 -11.208 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.603 6.528 -9.615 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.202 5.048 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.900 4.619 -8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.221 4.722 -10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.610 5.695 -11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.943 4.073 -11.444 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.491 2.617 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.462 2.747 -9.809 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.737 3.183 -9.832 1.00 0.00 H new ATOM 425 N ALA A 46 -1.694 8.094 -11.870 1.00 0.00 N ATOM 426 CA ALA A 46 -2.170 8.998 -12.908 1.00 0.00 C ATOM 427 C ALA A 46 -1.129 9.245 -14.012 1.00 0.00 C ATOM 428 O ALA A 46 -1.441 9.894 -15.010 1.00 0.00 O ATOM 429 CB ALA A 46 -2.570 10.307 -12.241 1.00 0.00 C ATOM 0 H ALA A 46 -1.590 8.538 -10.957 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.023 8.538 -13.406 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.931 11.005 -12.996 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.360 10.118 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.706 10.736 -11.734 1.00 0.00 H new ATOM 435 N ALA A 47 0.095 8.730 -13.854 1.00 0.00 N ATOM 436 CA ALA A 47 1.155 8.758 -14.849 1.00 0.00 C ATOM 437 C ALA A 47 1.695 7.365 -15.167 1.00 0.00 C ATOM 438 O ALA A 47 2.747 7.261 -15.794 1.00 0.00 O ATOM 439 CB ALA A 47 2.250 9.723 -14.390 1.00 0.00 C ATOM 0 H ALA A 47 0.379 8.265 -12.992 1.00 0.00 H new ATOM 0 HA ALA A 47 0.743 9.122 -15.790 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.048 9.748 -15.132 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.830 10.722 -14.275 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.654 9.387 -13.435 1.00 0.00 H new ATOM 445 N ASN A 48 0.979 6.299 -14.790 1.00 0.00 N ATOM 446 CA ASN A 48 1.328 4.890 -15.036 1.00 0.00 C ATOM 447 C ASN A 48 2.583 4.419 -14.290 1.00 0.00 C ATOM 448 O ASN A 48 3.061 3.308 -14.482 1.00 0.00 O ATOM 449 CB ASN A 48 1.357 4.582 -16.550 1.00 0.00 C ATOM 450 CG ASN A 48 2.733 4.228 -17.129 1.00 0.00 C ATOM 451 OD1 ASN A 48 2.966 2.989 -17.511 1.00 0.00 O flip ATOM 452 ND2 ASN A 48 3.588 5.081 -17.339 1.00 0.00 N flip ATOM 0 H ASN A 48 0.100 6.397 -14.282 1.00 0.00 H new ATOM 0 HA ASN A 48 0.529 4.290 -14.601 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.676 3.754 -16.747 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.969 5.448 -17.086 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.427 6.046 -17.051 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.460 4.826 -17.802 1.00 0.00 H new ATOM 459 N GLN A 49 3.138 5.247 -13.417 1.00 0.00 N ATOM 460 CA GLN A 49 4.513 5.152 -12.961 1.00 0.00 C ATOM 461 C GLN A 49 4.679 4.136 -11.837 1.00 0.00 C ATOM 462 O GLN A 49 5.808 3.819 -11.487 1.00 0.00 O ATOM 463 CB GLN A 49 4.930 6.551 -12.473 1.00 0.00 C ATOM 464 CG GLN A 49 5.304 7.479 -13.645 1.00 0.00 C ATOM 465 CD GLN A 49 6.796 7.785 -13.708 1.00 0.00 C ATOM 466 OE1 GLN A 49 7.195 8.912 -13.986 1.00 0.00 O ATOM 467 NE2 GLN A 49 7.642 6.798 -13.457 1.00 0.00 N ATOM 0 H GLN A 49 2.629 6.024 -12.996 1.00 0.00 H new ATOM 0 HA GLN A 49 5.143 4.810 -13.783 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.114 6.996 -11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.779 6.461 -11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.994 7.016 -14.582 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.750 8.413 -13.553 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.288 5.869 -13.228 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.647 6.967 -13.493 1.00 0.00 H new ATOM 476 N LEU A 50 3.593 3.680 -11.224 1.00 0.00 N ATOM 477 CA LEU A 50 3.615 3.091 -9.893 1.00 0.00 C ATOM 478 C LEU A 50 3.619 1.561 -9.977 1.00 0.00 C ATOM 479 O LEU A 50 2.638 0.965 -10.435 1.00 0.00 O ATOM 480 CB LEU A 50 2.427 3.638 -9.088 1.00 0.00 C ATOM 481 CG LEU A 50 2.721 3.875 -7.586 1.00 0.00 C ATOM 482 CD1 LEU A 50 1.414 3.869 -6.801 1.00 0.00 C ATOM 483 CD2 LEU A 50 3.713 2.938 -6.907 1.00 0.00 C ATOM 0 H LEU A 50 2.663 3.710 -11.643 1.00 0.00 H new ATOM 0 HA LEU A 50 4.532 3.368 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.105 4.579 -9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.594 2.941 -9.176 1.00 0.00 H new ATOM 0 HG LEU A 50 3.219 4.845 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.623 4.036 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.763 4.661 -7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.919 2.906 -6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.822 3.220 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.347 1.913 -6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.680 3.010 -7.404 1.00 0.00 H new ATOM 495 N VAL A 51 4.699 0.921 -9.529 1.00 0.00 N ATOM 496 CA VAL A 51 4.897 -0.532 -9.570 1.00 0.00 C ATOM 497 C VAL A 51 4.484 -1.123 -8.208 1.00 0.00 C ATOM 498 O VAL A 51 4.246 -0.391 -7.245 1.00 0.00 O ATOM 499 CB VAL A 51 6.354 -0.849 -10.012 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.646 -2.347 -10.221 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.682 -0.179 -11.363 1.00 0.00 C ATOM 0 H VAL A 51 5.489 1.415 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 51 4.263 -1.011 -10.316 1.00 0.00 H new ATOM 0 HB VAL A 51 6.960 -0.470 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.684 -2.476 -10.528 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.474 -2.885 -9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.987 -2.742 -10.995 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.707 -0.417 -11.648 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.998 -0.547 -12.127 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.573 0.902 -11.269 1.00 0.00 H new ATOM 511 N TYR A 52 4.290 -2.436 -8.149 1.00 0.00 N ATOM 512 CA TYR A 52 3.833 -3.244 -7.029 1.00 0.00 C ATOM 513 C TYR A 52 4.613 -4.550 -7.129 1.00 0.00 C ATOM 514 O TYR A 52 4.774 -5.070 -8.234 1.00 0.00 O ATOM 515 CB TYR A 52 2.318 -3.465 -7.208 1.00 0.00 C ATOM 516 CG TYR A 52 1.634 -4.648 -6.543 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.925 -5.063 -5.227 1.00 0.00 C ATOM 518 CD2 TYR A 52 0.685 -5.357 -7.301 1.00 0.00 C ATOM 519 CE1 TYR A 52 1.275 -6.194 -4.689 1.00 0.00 C ATOM 520 CE2 TYR A 52 0.006 -6.455 -6.764 1.00 0.00 C ATOM 521 CZ TYR A 52 0.277 -6.866 -5.446 1.00 0.00 C ATOM 522 OH TYR A 52 -0.381 -7.956 -4.962 1.00 0.00 O ATOM 0 H TYR A 52 4.467 -3.017 -8.968 1.00 0.00 H new ATOM 0 HA TYR A 52 3.994 -2.788 -6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.816 -2.563 -6.858 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.127 -3.541 -8.278 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.643 -4.517 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.477 -5.048 -8.315 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.536 -6.549 -3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.723 -6.985 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.026 -8.272 -5.629 1.00 0.00 H new ATOM 532 N GLY A 53 5.092 -5.088 -6.007 1.00 0.00 N ATOM 533 CA GLY A 53 5.720 -6.399 -5.988 1.00 0.00 C ATOM 534 C GLY A 53 5.695 -7.031 -4.608 1.00 0.00 C ATOM 535 O GLY A 53 5.221 -6.408 -3.658 1.00 0.00 O ATOM 0 H GLY A 53 5.054 -4.629 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.210 -7.054 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.753 -6.309 -6.325 1.00 0.00 H new ATOM 539 N ILE A 54 6.206 -8.259 -4.507 1.00 0.00 N ATOM 540 CA ILE A 54 6.570 -8.926 -3.265 1.00 0.00 C ATOM 541 C ILE A 54 8.085 -8.811 -3.147 1.00 0.00 C ATOM 542 O ILE A 54 8.795 -8.976 -4.138 1.00 0.00 O ATOM 543 CB ILE A 54 6.092 -10.398 -3.285 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.553 -10.485 -3.217 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.733 -11.268 -2.186 1.00 0.00 C ATOM 546 CD1 ILE A 54 3.930 -10.180 -1.848 1.00 0.00 C ATOM 0 H ILE A 54 6.384 -8.838 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 54 6.092 -8.468 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 54 6.429 -10.806 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.135 -9.793 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.250 -11.488 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.352 -12.287 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.816 -11.275 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.485 -10.858 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.846 -10.270 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.309 -10.887 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.192 -9.166 -1.547 1.00 0.00 H new ATOM 558 N VAL A 55 8.557 -8.564 -1.926 1.00 0.00 N ATOM 559 CA VAL A 55 9.943 -8.477 -1.526 1.00 0.00 C ATOM 560 C VAL A 55 10.774 -9.613 -2.132 1.00 0.00 C ATOM 561 O VAL A 55 11.661 -9.327 -2.937 1.00 0.00 O ATOM 562 CB VAL A 55 9.955 -8.383 0.015 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.324 -8.658 0.633 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.517 -6.967 0.430 1.00 0.00 C ATOM 0 H VAL A 55 7.926 -8.409 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 55 10.435 -7.587 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 55 9.272 -9.150 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.257 -8.574 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.648 -9.664 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.045 -7.932 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.522 -6.889 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.207 -6.235 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.511 -6.773 0.057 1.00 0.00 H new ATOM 574 N LYS A 56 10.505 -10.873 -1.769 1.00 0.00 N ATOM 575 CA LYS A 56 11.316 -12.052 -2.081 1.00 0.00 C ATOM 576 C LYS A 56 12.764 -11.914 -1.560 1.00 0.00 C ATOM 577 O LYS A 56 13.180 -10.835 -1.142 1.00 0.00 O ATOM 578 CB LYS A 56 11.219 -12.350 -3.593 1.00 0.00 C ATOM 579 CG LYS A 56 9.787 -12.708 -4.033 1.00 0.00 C ATOM 580 CD LYS A 56 9.758 -13.861 -5.039 1.00 0.00 C ATOM 581 CE LYS A 56 8.370 -13.955 -5.680 1.00 0.00 C ATOM 582 NZ LYS A 56 8.282 -15.090 -6.621 1.00 0.00 N ATOM 0 H LYS A 56 9.676 -11.107 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 56 10.920 -12.918 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.561 -11.480 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.889 -13.173 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.197 -12.979 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.316 -11.831 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.514 -13.704 -5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.002 -14.798 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.616 -14.068 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.148 -13.027 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.329 -15.124 -7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.985 -14.969 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.469 -15.978 -6.113 1.00 0.00 H new ATOM 596 N PRO A 57 13.550 -13.002 -1.499 1.00 0.00 N ATOM 597 CA PRO A 57 14.954 -12.916 -1.088 1.00 0.00 C ATOM 598 C PRO A 57 15.867 -12.363 -2.195 1.00 0.00 C ATOM 599 O PRO A 57 17.042 -12.082 -1.971 1.00 0.00 O ATOM 600 CB PRO A 57 15.331 -14.347 -0.718 1.00 0.00 C ATOM 601 CG PRO A 57 14.419 -15.216 -1.573 1.00 0.00 C ATOM 602 CD PRO A 57 13.138 -14.392 -1.654 1.00 0.00 C ATOM 0 HA PRO A 57 15.082 -12.219 -0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.382 -14.547 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.177 -14.536 0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.844 -15.399 -2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.244 -16.190 -1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.633 -14.546 -2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.436 -14.682 -0.872 1.00 0.00 H new ATOM 610 N SER A 58 15.344 -12.262 -3.412 1.00 0.00 N ATOM 611 CA SER A 58 16.104 -12.104 -4.650 1.00 0.00 C ATOM 612 C SER A 58 16.204 -10.640 -5.104 1.00 0.00 C ATOM 613 O SER A 58 16.415 -10.361 -6.289 1.00 0.00 O ATOM 614 CB SER A 58 15.476 -13.029 -5.697 1.00 0.00 C ATOM 615 OG SER A 58 15.281 -14.314 -5.117 1.00 0.00 O ATOM 0 H SER A 58 14.337 -12.289 -3.571 1.00 0.00 H new ATOM 0 HA SER A 58 17.143 -12.394 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.525 -12.621 -6.039 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.123 -13.104 -6.571 1.00 0.00 H new ATOM 0 HG SER A 58 14.878 -14.914 -5.779 1.00 0.00 H new ATOM 621 N ASP A 59 16.066 -9.707 -4.166 1.00 0.00 N ATOM 622 CA ASP A 59 16.181 -8.260 -4.336 1.00 0.00 C ATOM 623 C ASP A 59 16.930 -7.729 -3.101 1.00 0.00 C ATOM 624 O ASP A 59 17.614 -8.503 -2.414 1.00 0.00 O ATOM 625 CB ASP A 59 14.787 -7.633 -4.567 1.00 0.00 C ATOM 626 CG ASP A 59 14.463 -7.408 -6.034 1.00 0.00 C ATOM 627 OD1 ASP A 59 14.951 -6.418 -6.624 1.00 0.00 O ATOM 628 OD2 ASP A 59 13.667 -8.196 -6.590 1.00 0.00 O ATOM 0 H ASP A 59 15.856 -9.959 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 59 16.750 -7.984 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.028 -8.282 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.733 -6.680 -4.040 1.00 0.00 H new ATOM 633 N THR A 60 16.915 -6.422 -2.835 1.00 0.00 N ATOM 634 CA THR A 60 17.807 -5.772 -1.876 1.00 0.00 C ATOM 635 C THR A 60 16.976 -4.988 -0.853 1.00 0.00 C ATOM 636 O THR A 60 16.531 -3.876 -1.140 1.00 0.00 O ATOM 637 CB THR A 60 18.816 -4.915 -2.661 1.00 0.00 C ATOM 638 OG1 THR A 60 19.432 -5.680 -3.685 1.00 0.00 O ATOM 639 CG2 THR A 60 19.909 -4.384 -1.741 1.00 0.00 C ATOM 0 H THR A 60 16.271 -5.775 -3.289 1.00 0.00 H new ATOM 0 HA THR A 60 18.382 -6.495 -1.298 1.00 0.00 H new ATOM 0 HB THR A 60 18.264 -4.083 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.069 -5.119 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.610 -3.781 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 60 19.461 -3.770 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 60 20.439 -5.220 -1.285 1.00 0.00 H new ATOM 647 N VAL A 61 16.729 -5.569 0.325 1.00 0.00 N ATOM 648 CA VAL A 61 15.737 -5.085 1.283 1.00 0.00 C ATOM 649 C VAL A 61 16.237 -5.117 2.734 1.00 0.00 C ATOM 650 O VAL A 61 17.095 -5.942 3.086 1.00 0.00 O ATOM 651 CB VAL A 61 14.440 -5.912 1.183 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.595 -5.497 -0.027 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.748 -7.419 1.180 1.00 0.00 C ATOM 0 H VAL A 61 17.223 -6.403 0.643 1.00 0.00 H new ATOM 0 HA VAL A 61 15.546 -4.045 1.020 1.00 0.00 H new ATOM 0 HB VAL A 61 13.842 -5.701 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.689 -6.102 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.325 -4.445 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.169 -5.648 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.817 -7.981 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.383 -7.659 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.263 -7.687 2.102 1.00 0.00 H new ATOM 663 N PRO A 62 15.622 -4.296 3.608 1.00 0.00 N ATOM 664 CA PRO A 62 15.850 -4.332 5.044 1.00 0.00 C ATOM 665 C PRO A 62 15.338 -5.644 5.637 1.00 0.00 C ATOM 666 O PRO A 62 14.659 -6.435 4.976 1.00 0.00 O ATOM 667 CB PRO A 62 15.104 -3.117 5.611 1.00 0.00 C ATOM 668 CG PRO A 62 13.995 -2.871 4.601 1.00 0.00 C ATOM 669 CD PRO A 62 14.612 -3.300 3.282 1.00 0.00 C ATOM 0 HA PRO A 62 16.910 -4.287 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.703 -3.321 6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.760 -2.252 5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.104 -3.453 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.696 -1.823 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.856 -3.716 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.057 -2.449 2.766 1.00 0.00 H new ATOM 677 N ALA A 63 15.645 -5.883 6.909 1.00 0.00 N ATOM 678 CA ALA A 63 15.212 -7.094 7.584 1.00 0.00 C ATOM 679 C ALA A 63 13.718 -7.052 7.922 1.00 0.00 C ATOM 680 O ALA A 63 13.129 -5.975 8.098 1.00 0.00 O ATOM 681 CB ALA A 63 16.053 -7.277 8.843 1.00 0.00 C ATOM 0 H ALA A 63 16.194 -5.250 7.491 1.00 0.00 H new ATOM 0 HA ALA A 63 15.356 -7.944 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.739 -8.183 9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.105 -7.361 8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.917 -6.418 9.500 1.00 0.00 H new ATOM 687 N GLY A 64 13.124 -8.226 8.117 1.00 0.00 N ATOM 688 CA GLY A 64 11.800 -8.381 8.697 1.00 0.00 C ATOM 689 C GLY A 64 10.681 -7.953 7.752 1.00 0.00 C ATOM 690 O GLY A 64 9.663 -7.449 8.219 1.00 0.00 O ATOM 0 H GLY A 64 13.562 -9.113 7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.652 -9.424 8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.739 -7.793 9.613 1.00 0.00 H new ATOM 694 N VAL A 65 10.867 -8.108 6.439 1.00 0.00 N ATOM 695 CA VAL A 65 9.846 -7.850 5.418 1.00 0.00 C ATOM 696 C VAL A 65 9.786 -9.018 4.414 1.00 0.00 C ATOM 697 O VAL A 65 9.386 -8.850 3.269 1.00 0.00 O ATOM 698 CB VAL A 65 10.038 -6.460 4.757 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.648 -5.323 5.712 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.469 -6.197 4.256 1.00 0.00 C ATOM 0 H VAL A 65 11.753 -8.424 6.046 1.00 0.00 H new ATOM 0 HA VAL A 65 8.867 -7.803 5.896 1.00 0.00 H new ATOM 0 HB VAL A 65 9.376 -6.478 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.795 -4.364 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.600 -5.428 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.271 -5.368 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.521 -5.205 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.164 -6.253 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.737 -6.947 3.511 1.00 0.00 H new ATOM 710 N ASP A 66 10.178 -10.227 4.828 1.00 0.00 N ATOM 711 CA ASP A 66 10.695 -11.291 3.946 1.00 0.00 C ATOM 712 C ASP A 66 9.741 -11.862 2.898 1.00 0.00 C ATOM 713 O ASP A 66 10.181 -12.632 2.046 1.00 0.00 O ATOM 714 CB ASP A 66 11.200 -12.464 4.796 1.00 0.00 C ATOM 715 CG ASP A 66 12.545 -12.139 5.422 1.00 0.00 C ATOM 716 OD1 ASP A 66 13.581 -12.302 4.744 1.00 0.00 O ATOM 717 OD2 ASP A 66 12.545 -11.724 6.607 1.00 0.00 O ATOM 0 H ASP A 66 10.146 -10.505 5.809 1.00 0.00 H new ATOM 0 HA ASP A 66 11.478 -10.785 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.475 -12.690 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.289 -13.356 4.176 1.00 0.00 H new ATOM 722 N ASP A 67 8.461 -11.524 2.995 1.00 0.00 N ATOM 723 CA ASP A 67 7.386 -11.860 2.050 1.00 0.00 C ATOM 724 C ASP A 67 6.316 -10.759 2.114 1.00 0.00 C ATOM 725 O ASP A 67 5.116 -11.015 2.045 1.00 0.00 O ATOM 726 CB ASP A 67 6.818 -13.254 2.368 1.00 0.00 C ATOM 727 CG ASP A 67 5.767 -13.743 1.366 1.00 0.00 C ATOM 728 OD1 ASP A 67 6.075 -13.838 0.158 1.00 0.00 O ATOM 729 OD2 ASP A 67 4.676 -14.155 1.834 1.00 0.00 O ATOM 0 H ASP A 67 8.117 -10.974 3.782 1.00 0.00 H new ATOM 0 HA ASP A 67 7.769 -11.905 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.638 -13.971 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.375 -13.236 3.364 1.00 0.00 H new ATOM 734 N TYR A 68 6.740 -9.520 2.389 1.00 0.00 N ATOM 735 CA TYR A 68 5.848 -8.369 2.330 1.00 0.00 C ATOM 736 C TYR A 68 5.600 -8.023 0.863 1.00 0.00 C ATOM 737 O TYR A 68 6.460 -8.251 0.011 1.00 0.00 O ATOM 738 CB TYR A 68 6.448 -7.176 3.085 1.00 0.00 C ATOM 739 CG TYR A 68 6.162 -7.160 4.580 1.00 0.00 C ATOM 740 CD1 TYR A 68 6.432 -8.276 5.399 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.561 -6.021 5.145 1.00 0.00 C ATOM 742 CE1 TYR A 68 6.146 -8.238 6.777 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.227 -5.991 6.506 1.00 0.00 C ATOM 744 CZ TYR A 68 5.546 -7.086 7.333 1.00 0.00 C ATOM 745 OH TYR A 68 5.301 -6.995 8.665 1.00 0.00 O ATOM 0 H TYR A 68 7.699 -9.294 2.655 1.00 0.00 H new ATOM 0 HA TYR A 68 4.901 -8.611 2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.528 -7.175 2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.064 -6.255 2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.862 -9.167 4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.355 -5.161 4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.384 -9.084 7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.725 -5.129 6.920 1.00 0.00 H new ATOM 0 HH TYR A 68 5.969 -7.517 9.157 1.00 0.00 H new ATOM 755 N SER A 69 4.455 -7.412 0.570 1.00 0.00 N ATOM 756 CA SER A 69 4.261 -6.600 -0.599 1.00 0.00 C ATOM 757 C SER A 69 5.012 -5.277 -0.418 1.00 0.00 C ATOM 758 O SER A 69 5.206 -4.817 0.710 1.00 0.00 O ATOM 759 CB SER A 69 2.760 -6.359 -0.704 1.00 0.00 C ATOM 760 OG SER A 69 2.021 -7.571 -0.828 1.00 0.00 O ATOM 0 H SER A 69 3.626 -7.477 1.160 1.00 0.00 H new ATOM 0 HA SER A 69 4.638 -7.078 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.419 -5.818 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.557 -5.723 -1.566 1.00 0.00 H new ATOM 0 HG SER A 69 1.065 -7.366 -0.890 1.00 0.00 H new ATOM 766 N TYR A 70 5.392 -4.638 -1.520 1.00 0.00 N ATOM 767 CA TYR A 70 5.868 -3.269 -1.555 1.00 0.00 C ATOM 768 C TYR A 70 5.277 -2.547 -2.760 1.00 0.00 C ATOM 769 O TYR A 70 4.701 -3.168 -3.660 1.00 0.00 O ATOM 770 CB TYR A 70 7.402 -3.199 -1.545 1.00 0.00 C ATOM 771 CG TYR A 70 8.084 -3.708 -2.804 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.333 -5.084 -2.968 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.495 -2.806 -3.807 1.00 0.00 C ATOM 774 CE1 TYR A 70 9.018 -5.545 -4.106 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.203 -3.265 -4.929 1.00 0.00 C ATOM 776 CZ TYR A 70 9.476 -4.638 -5.084 1.00 0.00 C ATOM 777 OH TYR A 70 10.189 -5.066 -6.159 1.00 0.00 O ATOM 0 H TYR A 70 5.375 -5.077 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 70 5.531 -2.763 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.701 -2.163 -1.383 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.770 -3.773 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.998 -5.786 -2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.264 -1.755 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.195 -6.603 -4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.540 -2.562 -5.677 1.00 0.00 H new ATOM 0 HH TYR A 70 10.418 -4.300 -6.726 1.00 0.00 H new ATOM 787 N LEU A 71 5.403 -1.223 -2.737 1.00 0.00 N ATOM 788 CA LEU A 71 4.986 -0.281 -3.762 1.00 0.00 C ATOM 789 C LEU A 71 6.087 0.766 -3.824 1.00 0.00 C ATOM 790 O LEU A 71 6.433 1.347 -2.793 1.00 0.00 O ATOM 791 CB LEU A 71 3.659 0.386 -3.368 1.00 0.00 C ATOM 792 CG LEU A 71 2.425 -0.522 -3.512 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.297 -0.010 -2.623 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.912 -0.580 -4.935 1.00 0.00 C ATOM 0 H LEU A 71 5.831 -0.750 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 71 4.832 -0.775 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.729 0.723 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.516 1.274 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 71 2.737 -1.523 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.427 -0.658 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.624 -0.011 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.032 1.005 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.041 -1.234 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.632 0.421 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.693 -0.969 -5.588 1.00 0.00 H new ATOM 806 N VAL A 72 6.635 0.994 -5.008 1.00 0.00 N ATOM 807 CA VAL A 72 7.621 2.018 -5.323 1.00 0.00 C ATOM 808 C VAL A 72 7.330 2.405 -6.768 1.00 0.00 C ATOM 809 O VAL A 72 6.781 1.604 -7.535 1.00 0.00 O ATOM 810 CB VAL A 72 9.056 1.487 -5.093 1.00 0.00 C ATOM 811 CG1 VAL A 72 9.402 0.261 -5.943 1.00 0.00 C ATOM 812 CG2 VAL A 72 10.136 2.551 -5.320 1.00 0.00 C ATOM 0 H VAL A 72 6.388 0.435 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 72 7.555 2.894 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 72 9.052 1.195 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.423 -0.054 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.714 -0.551 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.316 0.515 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.119 2.115 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.080 2.914 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.978 3.382 -4.633 1.00 0.00 H new ATOM 822 N ALA A 73 7.620 3.641 -7.150 1.00 0.00 N ATOM 823 CA ALA A 73 7.395 4.049 -8.522 1.00 0.00 C ATOM 824 C ALA A 73 8.642 3.770 -9.361 1.00 0.00 C ATOM 825 O ALA A 73 9.750 3.615 -8.845 1.00 0.00 O ATOM 826 CB ALA A 73 6.938 5.498 -8.553 1.00 0.00 C ATOM 0 H ALA A 73 8.004 4.363 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 73 6.594 3.464 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.769 5.804 -9.585 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.011 5.599 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.705 6.131 -8.108 1.00 0.00 H new ATOM 832 N ALA A 74 8.445 3.688 -10.674 1.00 0.00 N ATOM 833 CA ALA A 74 9.431 3.192 -11.618 1.00 0.00 C ATOM 834 C ALA A 74 10.626 4.117 -11.779 1.00 0.00 C ATOM 835 O ALA A 74 11.664 3.674 -12.269 1.00 0.00 O ATOM 836 CB ALA A 74 8.762 2.961 -12.978 1.00 0.00 C ATOM 0 H ALA A 74 7.572 3.973 -11.118 1.00 0.00 H new ATOM 0 HA ALA A 74 9.816 2.255 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.500 2.589 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.961 2.229 -12.870 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.348 3.901 -13.344 1.00 0.00 H new ATOM 842 N ASP A 75 10.483 5.375 -11.371 1.00 0.00 N ATOM 843 CA ASP A 75 11.565 6.352 -11.394 1.00 0.00 C ATOM 844 C ASP A 75 12.150 6.574 -10.000 1.00 0.00 C ATOM 845 O ASP A 75 13.357 6.733 -9.865 1.00 0.00 O ATOM 846 CB ASP A 75 11.078 7.660 -12.014 1.00 0.00 C ATOM 847 CG ASP A 75 12.264 8.546 -12.359 1.00 0.00 C ATOM 848 OD1 ASP A 75 13.078 8.147 -13.224 1.00 0.00 O ATOM 849 OD2 ASP A 75 12.374 9.667 -11.817 1.00 0.00 O ATOM 0 H ASP A 75 9.604 5.747 -11.012 1.00 0.00 H new ATOM 0 HA ASP A 75 12.370 5.958 -12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.496 7.452 -12.912 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.417 8.178 -11.319 1.00 0.00 H new ATOM 854 N ASP A 76 11.316 6.462 -8.963 1.00 0.00 N ATOM 855 CA ASP A 76 11.580 6.679 -7.541 1.00 0.00 C ATOM 856 C ASP A 76 12.485 5.597 -6.936 1.00 0.00 C ATOM 857 O ASP A 76 12.563 5.503 -5.716 1.00 0.00 O ATOM 858 CB ASP A 76 10.256 6.594 -6.752 1.00 0.00 C ATOM 859 CG ASP A 76 9.295 7.774 -6.736 1.00 0.00 C ATOM 860 OD1 ASP A 76 8.977 8.348 -7.802 1.00 0.00 O ATOM 861 OD2 ASP A 76 8.704 7.956 -5.640 1.00 0.00 O ATOM 0 H ASP A 76 10.345 6.191 -9.115 1.00 0.00 H new ATOM 0 HA ASP A 76 12.062 7.654 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.706 5.735 -7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.511 6.372 -5.716 1.00 0.00 H new ATOM 866 N GLN A 77 13.099 4.706 -7.721 1.00 0.00 N ATOM 867 CA GLN A 77 13.581 3.415 -7.223 1.00 0.00 C ATOM 868 C GLN A 77 14.557 3.536 -6.045 1.00 0.00 C ATOM 869 O GLN A 77 14.639 2.597 -5.259 1.00 0.00 O ATOM 870 CB GLN A 77 14.239 2.589 -8.337 1.00 0.00 C ATOM 871 CG GLN A 77 13.350 2.284 -9.554 1.00 0.00 C ATOM 872 CD GLN A 77 12.485 1.050 -9.323 1.00 0.00 C ATOM 873 OE1 GLN A 77 12.940 -0.074 -9.494 1.00 0.00 O ATOM 874 NE2 GLN A 77 11.231 1.203 -8.937 1.00 0.00 N ATOM 0 H GLN A 77 13.275 4.859 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 77 12.689 2.904 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.126 3.120 -8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.578 1.644 -7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.712 3.142 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.976 2.131 -10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.852 2.139 -8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.642 0.385 -8.781 1.00 0.00 H new ATOM 883 N ASP A 78 15.297 4.640 -5.881 1.00 0.00 N ATOM 884 CA ASP A 78 16.163 4.871 -4.714 1.00 0.00 C ATOM 885 C ASP A 78 15.601 5.901 -3.724 1.00 0.00 C ATOM 886 O ASP A 78 16.149 6.040 -2.627 1.00 0.00 O ATOM 887 CB ASP A 78 17.614 5.166 -5.137 1.00 0.00 C ATOM 888 CG ASP A 78 17.959 6.651 -5.287 1.00 0.00 C ATOM 889 OD1 ASP A 78 17.308 7.363 -6.086 1.00 0.00 O ATOM 890 OD2 ASP A 78 18.936 7.097 -4.641 1.00 0.00 O ATOM 0 H ASP A 78 15.313 5.403 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 78 16.179 3.936 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.287 4.725 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.808 4.666 -6.086 1.00 0.00 H new ATOM 895 N GLY A 79 14.486 6.557 -4.059 1.00 0.00 N ATOM 896 CA GLY A 79 13.833 7.557 -3.235 1.00 0.00 C ATOM 897 C GLY A 79 12.860 6.925 -2.243 1.00 0.00 C ATOM 898 O GLY A 79 13.249 6.596 -1.115 1.00 0.00 O ATOM 0 H GLY A 79 14.003 6.395 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.586 8.129 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.297 8.260 -3.873 1.00 0.00 H new ATOM 902 N THR A 80 11.581 6.830 -2.620 1.00 0.00 N ATOM 903 CA THR A 80 10.502 6.435 -1.720 1.00 0.00 C ATOM 904 C THR A 80 10.303 4.910 -1.769 1.00 0.00 C ATOM 905 O THR A 80 10.897 4.235 -2.604 1.00 0.00 O ATOM 906 CB THR A 80 9.209 7.215 -2.072 1.00 0.00 C ATOM 907 OG1 THR A 80 9.461 8.393 -2.838 1.00 0.00 O ATOM 908 CG2 THR A 80 8.479 7.628 -0.785 1.00 0.00 C ATOM 0 H THR A 80 11.266 7.028 -3.570 1.00 0.00 H new ATOM 0 HA THR A 80 10.765 6.690 -0.693 1.00 0.00 H new ATOM 0 HB THR A 80 8.599 6.541 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.207 8.237 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.572 8.175 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.217 6.738 -0.214 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.130 8.265 -0.186 1.00 0.00 H new ATOM 916 N ILE A 81 9.479 4.353 -0.872 1.00 0.00 N ATOM 917 CA ILE A 81 8.875 3.020 -0.953 1.00 0.00 C ATOM 918 C ILE A 81 7.895 2.904 0.212 1.00 0.00 C ATOM 919 O ILE A 81 8.050 3.577 1.240 1.00 0.00 O ATOM 920 CB ILE A 81 9.947 1.891 -0.879 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.360 0.471 -1.026 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.754 1.963 0.431 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.383 -0.531 -1.573 1.00 0.00 C ATOM 0 H ILE A 81 9.202 4.849 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 81 8.368 2.899 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 81 10.602 2.070 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.001 0.127 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.497 0.505 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.492 1.161 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.262 2.925 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.080 1.854 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.920 -1.514 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.723 -0.204 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.235 -0.588 -0.895 1.00 0.00 H new ATOM 935 N ILE A 82 6.935 1.992 0.100 1.00 0.00 N ATOM 936 CA ILE A 82 6.106 1.563 1.210 1.00 0.00 C ATOM 937 C ILE A 82 6.036 0.034 1.140 1.00 0.00 C ATOM 938 O ILE A 82 5.965 -0.532 0.049 1.00 0.00 O ATOM 939 CB ILE A 82 4.717 2.244 1.136 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.762 3.791 0.947 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.903 1.833 2.379 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.432 4.334 0.437 1.00 0.00 C ATOM 0 H ILE A 82 6.711 1.526 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 82 6.522 1.857 2.173 1.00 0.00 H new ATOM 0 HB ILE A 82 4.225 1.890 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.010 4.267 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.554 4.049 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.921 2.304 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.785 0.750 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.427 2.154 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.502 5.415 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.197 3.877 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.644 4.098 1.153 1.00 0.00 H new ATOM 954 N PHE A 83 6.044 -0.642 2.292 1.00 0.00 N ATOM 955 CA PHE A 83 5.862 -2.089 2.417 1.00 0.00 C ATOM 956 C PHE A 83 4.564 -2.352 3.187 1.00 0.00 C ATOM 957 O PHE A 83 4.125 -1.511 3.978 1.00 0.00 O ATOM 958 CB PHE A 83 7.045 -2.745 3.152 1.00 0.00 C ATOM 959 CG PHE A 83 8.424 -2.555 2.551 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.124 -1.346 2.732 1.00 0.00 C ATOM 961 CD2 PHE A 83 9.043 -3.621 1.873 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.431 -1.202 2.233 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.357 -3.481 1.395 1.00 0.00 C ATOM 964 CZ PHE A 83 11.049 -2.275 1.572 1.00 0.00 C ATOM 0 H PHE A 83 6.182 -0.182 3.192 1.00 0.00 H new ATOM 0 HA PHE A 83 5.811 -2.525 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.065 -2.360 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.850 -3.815 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.655 -0.526 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.508 -4.547 1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.958 -0.268 2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.836 -4.306 0.889 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.058 -2.171 1.200 1.00 0.00 H new ATOM 974 N PHE A 84 3.939 -3.510 2.978 1.00 0.00 N ATOM 975 CA PHE A 84 2.702 -3.933 3.631 1.00 0.00 C ATOM 976 C PHE A 84 2.612 -5.457 3.545 1.00 0.00 C ATOM 977 O PHE A 84 3.082 -6.037 2.567 1.00 0.00 O ATOM 978 CB PHE A 84 1.465 -3.259 2.989 1.00 0.00 C ATOM 979 CG PHE A 84 1.421 -3.246 1.462 1.00 0.00 C ATOM 980 CD1 PHE A 84 2.329 -2.463 0.722 1.00 0.00 C ATOM 981 CD2 PHE A 84 0.466 -4.005 0.762 1.00 0.00 C ATOM 982 CE1 PHE A 84 2.361 -2.534 -0.673 1.00 0.00 C ATOM 983 CE2 PHE A 84 0.465 -4.042 -0.645 1.00 0.00 C ATOM 984 CZ PHE A 84 1.427 -3.319 -1.367 1.00 0.00 C ATOM 0 H PHE A 84 4.295 -4.206 2.323 1.00 0.00 H new ATOM 0 HA PHE A 84 2.715 -3.623 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.571 -3.765 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.414 -2.229 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.008 -1.801 1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.276 -4.566 1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.110 -1.981 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.276 -4.627 -1.169 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.448 -3.366 -2.446 1.00 0.00 H new ATOM 994 N LYS A 85 2.010 -6.123 4.530 1.00 0.00 N ATOM 995 CA LYS A 85 1.662 -7.539 4.431 1.00 0.00 C ATOM 996 C LYS A 85 0.309 -7.744 5.074 1.00 0.00 C ATOM 997 O LYS A 85 0.068 -7.190 6.145 1.00 0.00 O ATOM 998 CB LYS A 85 2.722 -8.417 5.110 1.00 0.00 C ATOM 999 CG LYS A 85 2.391 -9.903 4.905 1.00 0.00 C ATOM 1000 CD LYS A 85 3.566 -10.813 5.249 1.00 0.00 C ATOM 1001 CE LYS A 85 3.168 -12.262 4.945 1.00 0.00 C ATOM 1002 NZ LYS A 85 4.131 -13.254 5.467 1.00 0.00 N ATOM 0 H LYS A 85 1.750 -5.695 5.419 1.00 0.00 H new ATOM 0 HA LYS A 85 1.624 -7.832 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.706 -8.196 4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.765 -8.190 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.534 -10.170 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.099 -10.068 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.445 -10.532 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.832 -10.706 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.185 -12.459 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.076 -12.388 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.823 -14.211 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.072 -13.068 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.176 -13.182 6.504 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.542 -8.553 4.448 1.00 0.00 N ATOM 1017 CA ALA A 86 -1.811 -8.962 5.025 1.00 0.00 C ATOM 1018 C ALA A 86 -1.569 -10.235 5.826 1.00 0.00 C ATOM 1019 O ALA A 86 -0.925 -11.163 5.327 1.00 0.00 O ATOM 1020 CB ALA A 86 -2.863 -9.202 3.935 1.00 0.00 C ATOM 0 H ALA A 86 -0.366 -8.943 3.522 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.196 -8.173 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.802 -9.507 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.018 -8.283 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.518 -9.987 3.263 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.130 -10.279 7.026 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.159 -11.402 7.939 1.00 0.00 C ATOM 1028 C GLU A 87 -3.596 -11.613 8.408 1.00 0.00 C ATOM 1029 O GLU A 87 -4.020 -11.052 9.418 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.149 -11.263 9.088 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.656 -9.895 9.525 1.00 0.00 C ATOM 1032 CD GLU A 87 0.251 -10.097 10.745 1.00 0.00 C ATOM 1033 OE1 GLU A 87 1.330 -10.714 10.601 1.00 0.00 O ATOM 1034 OE2 GLU A 87 -0.093 -9.691 11.875 1.00 0.00 O ATOM 0 H GLU A 87 -2.612 -9.467 7.411 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.833 -12.301 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.591 -11.739 9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.271 -11.849 8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.109 -9.409 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.496 -9.247 9.775 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.352 -12.408 7.646 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.676 -12.905 8.003 1.00 0.00 C ATOM 1043 C GLY A 88 -6.738 -11.817 8.014 1.00 0.00 C ATOM 1044 O GLY A 88 -7.474 -11.664 7.035 1.00 0.00 O ATOM 0 H GLY A 88 -4.044 -12.733 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.968 -13.683 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.630 -13.369 8.988 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.822 -11.075 9.111 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.730 -9.959 9.343 1.00 0.00 C ATOM 1050 C GLN A 89 -6.954 -8.688 9.712 1.00 0.00 C ATOM 1051 O GLN A 89 -7.586 -7.700 10.071 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.735 -10.345 10.445 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.739 -11.443 10.061 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.805 -10.937 9.095 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -11.835 -10.411 9.506 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -10.591 -11.075 7.799 1.00 0.00 N ATOM 0 H GLN A 89 -6.218 -11.248 9.915 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.278 -9.743 8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.179 -10.675 11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.290 -9.453 10.736 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.206 -12.278 9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.219 -11.825 10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.732 -11.514 7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.285 -10.743 7.129 1.00 0.00 H new ATOM 1065 N THR A 90 -5.629 -8.678 9.584 1.00 0.00 N ATOM 1066 CA THR A 90 -4.719 -7.583 9.897 1.00 0.00 C ATOM 1067 C THR A 90 -3.892 -7.262 8.642 1.00 0.00 C ATOM 1068 O THR A 90 -3.731 -8.110 7.762 1.00 0.00 O ATOM 1069 CB THR A 90 -3.856 -7.956 11.133 1.00 0.00 C ATOM 1070 OG1 THR A 90 -4.654 -8.557 12.147 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.231 -6.718 11.784 1.00 0.00 C ATOM 0 H THR A 90 -5.129 -9.495 9.233 1.00 0.00 H new ATOM 0 HA THR A 90 -5.262 -6.678 10.169 1.00 0.00 H new ATOM 0 HB THR A 90 -3.088 -8.635 10.763 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.090 -8.785 12.915 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.635 -7.021 12.645 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.592 -6.210 11.061 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.020 -6.041 12.110 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.359 -6.047 8.548 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.361 -5.608 7.588 1.00 0.00 C ATOM 1081 C VAL A 91 -1.303 -4.871 8.395 1.00 0.00 C ATOM 1082 O VAL A 91 -1.631 -3.984 9.188 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.970 -4.707 6.496 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.899 -4.131 5.555 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -3.955 -5.485 5.624 1.00 0.00 C ATOM 0 H VAL A 91 -3.633 -5.297 9.183 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.933 -6.456 7.054 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.472 -3.899 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.376 -3.503 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.192 -3.534 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.369 -4.947 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.368 -4.823 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.438 -6.314 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.763 -5.873 6.245 1.00 0.00 H new ATOM 1095 N ILE A 92 -0.043 -5.249 8.209 1.00 0.00 N ATOM 1096 CA ILE A 92 1.108 -4.651 8.855 1.00 0.00 C ATOM 1097 C ILE A 92 1.735 -3.752 7.803 1.00 0.00 C ATOM 1098 O ILE A 92 2.406 -4.217 6.886 1.00 0.00 O ATOM 1099 CB ILE A 92 2.059 -5.740 9.390 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.303 -6.846 10.154 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.129 -5.108 10.295 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.388 -6.389 11.295 1.00 0.00 C ATOM 0 H ILE A 92 0.209 -6.010 7.579 1.00 0.00 H new ATOM 0 HA ILE A 92 0.846 -4.064 9.735 1.00 0.00 H new ATOM 0 HB ILE A 92 2.539 -6.207 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.701 -7.405 9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.037 -7.540 10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.796 -5.886 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.705 -4.380 9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.646 -4.610 11.136 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.085 -7.258 11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.977 -5.861 12.044 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.380 -5.723 10.901 1.00 0.00 H new ATOM 1114 N ILE A 93 1.434 -2.466 7.890 1.00 0.00 N ATOM 1115 CA ILE A 93 1.945 -1.427 7.028 1.00 0.00 C ATOM 1116 C ILE A 93 3.316 -1.026 7.595 1.00 0.00 C ATOM 1117 O ILE A 93 3.464 -0.762 8.796 1.00 0.00 O ATOM 1118 CB ILE A 93 0.931 -0.264 7.009 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.512 -0.695 6.637 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.412 0.829 6.060 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.479 0.466 6.390 1.00 0.00 C ATOM 0 H ILE A 93 0.795 -2.107 8.600 1.00 0.00 H new ATOM 0 HA ILE A 93 2.074 -1.747 5.994 1.00 0.00 H new ATOM 0 HB ILE A 93 0.880 0.114 8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.473 -1.315 5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.909 -1.318 7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.691 1.647 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.380 1.202 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.509 0.421 5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.463 0.072 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.553 1.075 7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.110 1.078 5.567 1.00 0.00 H new ATOM 1133 N LYS A 94 4.329 -0.972 6.729 1.00 0.00 N ATOM 1134 CA LYS A 94 5.725 -0.716 7.062 1.00 0.00 C ATOM 1135 C LYS A 94 6.284 0.306 6.070 1.00 0.00 C ATOM 1136 O LYS A 94 6.765 -0.055 5.001 1.00 0.00 O ATOM 1137 CB LYS A 94 6.506 -2.047 7.041 1.00 0.00 C ATOM 1138 CG LYS A 94 6.363 -2.844 8.340 1.00 0.00 C ATOM 1139 CD LYS A 94 7.379 -3.992 8.421 1.00 0.00 C ATOM 1140 CE LYS A 94 7.282 -4.635 9.805 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.217 -5.761 9.985 1.00 0.00 N ATOM 0 H LYS A 94 4.188 -1.113 5.729 1.00 0.00 H new ATOM 0 HA LYS A 94 5.822 -0.299 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.155 -2.655 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.561 -1.840 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.499 -2.178 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.353 -3.247 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.177 -4.731 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.388 -3.617 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.481 -3.880 10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.263 -4.987 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.739 -6.530 10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.529 -6.105 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.043 -5.443 10.531 1.00 0.00 H new ATOM 1155 N TYR A 95 6.209 1.597 6.382 1.00 0.00 N ATOM 1156 CA TYR A 95 6.586 2.680 5.465 1.00 0.00 C ATOM 1157 C TYR A 95 7.881 3.357 5.897 1.00 0.00 C ATOM 1158 O TYR A 95 8.382 3.082 6.993 1.00 0.00 O ATOM 1159 CB TYR A 95 5.446 3.693 5.382 1.00 0.00 C ATOM 1160 CG TYR A 95 4.947 4.193 6.715 1.00 0.00 C ATOM 1161 CD1 TYR A 95 3.961 3.443 7.370 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.443 5.370 7.298 1.00 0.00 C ATOM 1163 CE1 TYR A 95 3.459 3.861 8.607 1.00 0.00 C ATOM 1164 CE2 TYR A 95 4.920 5.810 8.528 1.00 0.00 C ATOM 1165 CZ TYR A 95 3.911 5.065 9.179 1.00 0.00 C ATOM 1166 OH TYR A 95 3.391 5.466 10.367 1.00 0.00 O ATOM 0 H TYR A 95 5.881 1.929 7.289 1.00 0.00 H new ATOM 0 HA TYR A 95 6.763 2.252 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.779 4.546 4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.613 3.239 4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.586 2.537 6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.221 5.934 6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.725 3.260 9.123 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.291 6.720 8.976 1.00 0.00 H new ATOM 0 HH TYR A 95 3.802 6.314 10.634 1.00 0.00 H new ATOM 1176 N THR A 96 8.419 4.220 5.028 1.00 0.00 N ATOM 1177 CA THR A 96 9.666 4.934 5.231 1.00 0.00 C ATOM 1178 C THR A 96 9.716 6.185 4.327 1.00 0.00 C ATOM 1179 O THR A 96 8.853 6.374 3.465 1.00 0.00 O ATOM 1180 CB THR A 96 10.820 3.943 5.002 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.021 4.588 5.319 1.00 0.00 O ATOM 1182 CG2 THR A 96 10.886 3.379 3.579 1.00 0.00 C ATOM 0 H THR A 96 7.976 4.442 4.136 1.00 0.00 H new ATOM 0 HA THR A 96 9.755 5.314 6.249 1.00 0.00 H new ATOM 0 HB THR A 96 10.644 3.083 5.648 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.715 3.919 5.495 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.726 2.689 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.960 2.850 3.354 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.019 4.196 2.870 1.00 0.00 H new ATOM 1190 N SER A 97 10.756 7.002 4.512 1.00 0.00 N ATOM 1191 CA SER A 97 11.207 8.098 3.653 1.00 0.00 C ATOM 1192 C SER A 97 12.659 7.890 3.190 1.00 0.00 C ATOM 1193 O SER A 97 13.280 8.799 2.649 1.00 0.00 O ATOM 1194 CB SER A 97 11.031 9.426 4.392 1.00 0.00 C ATOM 1195 OG SER A 97 9.659 9.764 4.412 1.00 0.00 O ATOM 0 H SER A 97 11.352 6.905 5.334 1.00 0.00 H new ATOM 0 HA SER A 97 10.596 8.117 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.413 9.344 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.605 10.210 3.898 1.00 0.00 H new ATOM 0 HG SER A 97 9.538 10.613 4.886 1.00 0.00 H new ATOM 1201 N GLN A 98 13.208 6.687 3.380 1.00 0.00 N ATOM 1202 CA GLN A 98 14.375 6.213 2.647 1.00 0.00 C ATOM 1203 C GLN A 98 14.180 4.722 2.419 1.00 0.00 C ATOM 1204 O GLN A 98 13.995 3.981 3.389 1.00 0.00 O ATOM 1205 CB GLN A 98 15.680 6.441 3.432 1.00 0.00 C ATOM 1206 CG GLN A 98 16.326 7.816 3.248 1.00 0.00 C ATOM 1207 CD GLN A 98 17.750 7.791 3.798 1.00 0.00 C ATOM 1208 OE1 GLN A 98 17.991 8.001 4.985 1.00 0.00 O ATOM 1209 NE2 GLN A 98 18.721 7.478 2.953 1.00 0.00 N ATOM 0 H GLN A 98 12.848 6.012 4.054 1.00 0.00 H new ATOM 0 HA GLN A 98 14.463 6.763 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.476 6.293 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.400 5.678 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.338 8.085 2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.740 8.576 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.507 7.306 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.683 7.409 3.285 1.00 0.00 H new ATOM 1218 N ARG A 99 14.286 4.259 1.171 1.00 0.00 N ATOM 1219 CA ARG A 99 14.330 2.832 0.836 1.00 0.00 C ATOM 1220 C ARG A 99 15.352 2.106 1.703 1.00 0.00 C ATOM 1221 O ARG A 99 15.084 1.014 2.199 1.00 0.00 O ATOM 1222 CB ARG A 99 14.627 2.665 -0.668 1.00 0.00 C ATOM 1223 CG ARG A 99 14.037 1.370 -1.258 1.00 0.00 C ATOM 1224 CD ARG A 99 15.103 0.484 -1.901 1.00 0.00 C ATOM 1225 NE ARG A 99 15.615 1.055 -3.151 1.00 0.00 N ATOM 1226 CZ ARG A 99 16.761 0.750 -3.763 1.00 0.00 C ATOM 1227 NH1 ARG A 99 17.542 -0.217 -3.305 1.00 0.00 N ATOM 1228 NH2 ARG A 99 17.119 1.428 -4.839 1.00 0.00 N ATOM 0 H ARG A 99 14.344 4.870 0.356 1.00 0.00 H new ATOM 0 HA ARG A 99 13.360 2.380 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.224 3.521 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.706 2.669 -0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.532 0.812 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.282 1.624 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.928 0.345 -1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.683 -0.502 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 99 15.033 1.761 -3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 99 17.271 -0.741 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 99 18.415 -0.438 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.522 2.175 -5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.993 1.204 -5.316 1.00 0.00 H new ATOM 1242 N ASN A 100 16.484 2.764 1.941 1.00 0.00 N ATOM 1243 CA ASN A 100 17.630 2.262 2.692 1.00 0.00 C ATOM 1244 C ASN A 100 17.481 2.412 4.224 1.00 0.00 C ATOM 1245 O ASN A 100 18.473 2.660 4.920 1.00 0.00 O ATOM 1246 CB ASN A 100 18.902 2.962 2.186 1.00 0.00 C ATOM 1247 CG ASN A 100 19.361 2.406 0.853 1.00 0.00 C ATOM 1248 OD1 ASN A 100 20.152 1.467 0.793 1.00 0.00 O ATOM 1249 ND2 ASN A 100 18.847 2.945 -0.236 1.00 0.00 N ATOM 0 H ASN A 100 16.634 3.712 1.596 1.00 0.00 H new ATOM 0 HA ASN A 100 17.695 1.188 2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.713 4.031 2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.698 2.845 2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.104 2.583 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.193 3.724 -0.160 1.00 0.00 H new ATOM 1256 N THR A 101 16.271 2.346 4.798 1.00 0.00 N ATOM 1257 CA THR A 101 16.120 2.449 6.256 1.00 0.00 C ATOM 1258 C THR A 101 15.084 1.468 6.815 1.00 0.00 C ATOM 1259 O THR A 101 14.234 0.947 6.089 1.00 0.00 O ATOM 1260 CB THR A 101 15.790 3.893 6.678 1.00 0.00 C ATOM 1261 OG1 THR A 101 14.653 4.354 5.999 1.00 0.00 O ATOM 1262 CG2 THR A 101 16.898 4.919 6.450 1.00 0.00 C ATOM 0 H THR A 101 15.397 2.224 4.286 1.00 0.00 H new ATOM 0 HA THR A 101 17.082 2.171 6.688 1.00 0.00 H new ATOM 0 HB THR A 101 15.637 3.818 7.755 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.683 4.051 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 101 16.559 5.900 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 101 17.783 4.630 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.143 4.960 5.389 1.00 0.00 H new ATOM 1270 N LYS A 102 15.129 1.250 8.134 1.00 0.00 N ATOM 1271 CA LYS A 102 14.106 0.534 8.892 1.00 0.00 C ATOM 1272 C LYS A 102 12.748 1.227 8.726 1.00 0.00 C ATOM 1273 O LYS A 102 12.679 2.436 8.490 1.00 0.00 O ATOM 1274 CB LYS A 102 14.548 0.471 10.366 1.00 0.00 C ATOM 1275 CG LYS A 102 13.718 -0.429 11.300 1.00 0.00 C ATOM 1276 CD LYS A 102 14.035 -1.929 11.214 1.00 0.00 C ATOM 1277 CE LYS A 102 13.441 -2.678 10.009 1.00 0.00 C ATOM 1278 NZ LYS A 102 13.993 -4.048 9.938 1.00 0.00 N ATOM 0 H LYS A 102 15.900 1.577 8.716 1.00 0.00 H new ATOM 0 HA LYS A 102 13.991 -0.484 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.583 0.130 10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.534 1.484 10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.873 -0.100 12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.662 -0.284 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.118 -2.050 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.678 -2.408 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.355 -2.719 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.667 -2.139 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.523 -4.572 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.015 -4.001 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.830 -4.535 10.842 1.00 0.00 H new ATOM 1292 N LEU A 103 11.670 0.461 8.877 1.00 0.00 N ATOM 1293 CA LEU A 103 10.306 0.859 8.563 1.00 0.00 C ATOM 1294 C LEU A 103 9.516 1.137 9.838 1.00 0.00 C ATOM 1295 O LEU A 103 9.804 0.569 10.893 1.00 0.00 O ATOM 1296 CB LEU A 103 9.621 -0.297 7.808 1.00 0.00 C ATOM 1297 CG LEU A 103 10.189 -0.729 6.437 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.623 0.443 5.558 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.326 -1.746 6.564 1.00 0.00 C ATOM 0 H LEU A 103 11.729 -0.492 9.236 1.00 0.00 H new ATOM 0 HA LEU A 103 10.333 1.765 7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.632 -1.170 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.576 -0.023 7.661 1.00 0.00 H new ATOM 0 HG LEU A 103 9.352 -1.214 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.011 0.064 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.767 1.090 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.401 1.012 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.687 -2.014 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.141 -1.310 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.960 -2.639 7.071 1.00 0.00 H new ATOM 1311 N LYS A 104 8.465 1.952 9.721 1.00 0.00 N ATOM 1312 CA LYS A 104 7.507 2.238 10.788 1.00 0.00 C ATOM 1313 C LYS A 104 6.654 1.015 11.136 1.00 0.00 C ATOM 1314 O LYS A 104 6.761 -0.045 10.511 1.00 0.00 O ATOM 1315 CB LYS A 104 6.625 3.424 10.342 1.00 0.00 C ATOM 1316 CG LYS A 104 7.131 4.767 10.882 1.00 0.00 C ATOM 1317 CD LYS A 104 8.461 5.159 10.259 1.00 0.00 C ATOM 1318 CE LYS A 104 8.816 6.595 10.652 1.00 0.00 C ATOM 1319 NZ LYS A 104 10.111 6.996 10.081 1.00 0.00 N ATOM 0 H LYS A 104 8.252 2.445 8.854 1.00 0.00 H new ATOM 0 HA LYS A 104 8.050 2.498 11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.596 3.462 9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.603 3.261 10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.392 5.542 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.240 4.706 11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.244 4.477 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.404 5.073 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.037 7.273 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.852 6.680 11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.327 7.973 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.857 6.362 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.066 6.937 9.044 1.00 0.00 H new ATOM 1333 N ALA A 105 5.765 1.181 12.115 1.00 0.00 N ATOM 1334 CA ALA A 105 4.713 0.238 12.444 1.00 0.00 C ATOM 1335 C ALA A 105 3.367 0.937 12.369 1.00 0.00 C ATOM 1336 O ALA A 105 3.157 1.967 13.012 1.00 0.00 O ATOM 1337 CB ALA A 105 4.956 -0.346 13.836 1.00 0.00 C ATOM 0 H ALA A 105 5.763 2.005 12.717 1.00 0.00 H new ATOM 0 HA ALA A 105 4.716 -0.584 11.728 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.163 -1.053 14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.917 -0.859 13.852 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.961 0.458 14.572 1.00 0.00 H new ATOM 1343 N LYS A 106 2.456 0.387 11.575 1.00 0.00 N ATOM 1344 CA LYS A 106 1.049 0.743 11.534 1.00 0.00 C ATOM 1345 C LYS A 106 0.342 -0.584 11.257 1.00 0.00 C ATOM 1346 O LYS A 106 0.536 -1.135 10.178 1.00 0.00 O ATOM 1347 CB LYS A 106 0.906 1.824 10.454 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.503 2.297 10.085 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.960 3.490 10.935 1.00 0.00 C ATOM 1350 CE LYS A 106 -2.099 4.223 10.216 1.00 0.00 C ATOM 1351 NZ LYS A 106 -2.406 5.511 10.863 1.00 0.00 N ATOM 0 H LYS A 106 2.692 -0.353 10.913 1.00 0.00 H new ATOM 0 HA LYS A 106 0.614 1.173 12.436 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.475 2.695 10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.381 1.452 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.526 2.575 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.205 1.473 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.295 3.146 11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.125 4.170 11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.823 4.394 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.990 3.596 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.180 5.980 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.693 5.345 11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.562 6.118 10.846 1.00 0.00 H new ATOM 1365 N ALA A 107 -0.320 -1.184 12.246 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.905 -2.522 12.139 1.00 0.00 C ATOM 1367 C ALA A 107 -2.405 -2.368 12.327 1.00 0.00 C ATOM 1368 O ALA A 107 -2.848 -2.050 13.432 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.317 -3.490 13.171 1.00 0.00 C ATOM 0 H ALA A 107 -0.467 -0.749 13.157 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.677 -2.952 11.164 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.780 -4.470 13.055 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.759 -3.576 13.018 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.511 -3.113 14.175 1.00 0.00 H new ATOM 1375 N LEU A 108 -3.164 -2.553 11.252 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.570 -2.180 11.156 1.00 0.00 C ATOM 1377 C LEU A 108 -5.344 -3.420 10.748 1.00 0.00 C ATOM 1378 O LEU A 108 -4.842 -4.204 9.944 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.751 -1.108 10.067 1.00 0.00 C ATOM 1380 CG LEU A 108 -3.823 0.117 10.181 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -3.933 0.926 8.892 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -4.141 0.987 11.398 1.00 0.00 C ATOM 0 H LEU A 108 -2.806 -2.980 10.397 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.923 -1.786 12.109 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.592 -1.573 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.785 -0.762 10.090 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.801 -0.235 10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.283 1.799 8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.631 0.307 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.964 1.251 8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.457 1.835 11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.166 1.351 11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.027 0.397 12.307 1.00 0.00 H new ATOM 1394 N THR A 109 -6.564 -3.607 11.239 1.00 0.00 N ATOM 1395 CA THR A 109 -7.393 -4.691 10.740 1.00 0.00 C ATOM 1396 C THR A 109 -7.807 -4.405 9.291 1.00 0.00 C ATOM 1397 O THR A 109 -7.979 -3.250 8.888 1.00 0.00 O ATOM 1398 CB THR A 109 -8.571 -5.017 11.679 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.273 -3.876 12.129 1.00 0.00 O ATOM 1400 CG2 THR A 109 -8.087 -5.774 12.917 1.00 0.00 C ATOM 0 H THR A 109 -6.992 -3.034 11.967 1.00 0.00 H new ATOM 0 HA THR A 109 -6.803 -5.608 10.730 1.00 0.00 H new ATOM 0 HB THR A 109 -9.248 -5.624 11.078 1.00 0.00 H new ATOM 0 HG1 THR A 109 -10.006 -4.154 12.717 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.936 -5.993 13.565 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.614 -6.707 12.611 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.366 -5.162 13.459 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.044 -5.460 8.505 1.00 0.00 N ATOM 1409 CA LEU A 110 -8.670 -5.357 7.193 1.00 0.00 C ATOM 1410 C LEU A 110 -10.023 -4.654 7.280 1.00 0.00 C ATOM 1411 O LEU A 110 -10.388 -3.899 6.381 1.00 0.00 O ATOM 1412 CB LEU A 110 -8.859 -6.764 6.602 1.00 0.00 C ATOM 1413 CG LEU A 110 -7.590 -7.349 5.965 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -7.841 -8.783 5.493 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.164 -6.534 4.744 1.00 0.00 C ATOM 0 H LEU A 110 -7.803 -6.415 8.768 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.019 -4.766 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.200 -7.435 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.647 -6.728 5.850 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.809 -7.324 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.932 -9.183 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.128 -9.401 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.643 -8.788 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.263 -6.970 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.963 -6.544 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.962 -5.506 5.045 1.00 0.00 H new ATOM 1427 N SER A 111 -10.764 -4.889 8.363 1.00 0.00 N ATOM 1428 CA SER A 111 -12.006 -4.191 8.632 1.00 0.00 C ATOM 1429 C SER A 111 -11.743 -2.692 8.778 1.00 0.00 C ATOM 1430 O SER A 111 -12.487 -1.907 8.195 1.00 0.00 O ATOM 1431 CB SER A 111 -12.612 -4.785 9.905 1.00 0.00 C ATOM 1432 OG SER A 111 -13.923 -4.316 10.152 1.00 0.00 O ATOM 0 H SER A 111 -10.512 -5.573 9.077 1.00 0.00 H new ATOM 0 HA SER A 111 -12.709 -4.314 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.628 -5.872 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.976 -4.539 10.755 1.00 0.00 H new ATOM 0 HG SER A 111 -14.267 -4.725 10.974 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.696 -2.297 9.513 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.308 -0.911 9.711 1.00 0.00 C ATOM 1440 C GLN A 112 -10.115 -0.231 8.366 1.00 0.00 C ATOM 1441 O GLN A 112 -10.861 0.688 8.056 1.00 0.00 O ATOM 1442 CB GLN A 112 -9.043 -0.823 10.581 1.00 0.00 C ATOM 1443 CG GLN A 112 -9.190 0.204 11.696 1.00 0.00 C ATOM 1444 CD GLN A 112 -8.959 1.620 11.204 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -9.958 2.477 11.270 1.00 0.00 O flip ATOM 1446 NE2 GLN A 112 -7.841 1.977 10.836 1.00 0.00 N flip ATOM 0 H GLN A 112 -10.085 -2.956 9.995 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.103 -0.388 10.242 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.832 -1.801 11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.190 -0.560 9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.188 0.129 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.481 -0.023 12.492 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -7.079 1.301 10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.676 2.949 10.576 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.181 -0.717 7.543 1.00 0.00 N ATOM 1456 CA LEU A 113 -8.862 -0.110 6.249 1.00 0.00 C ATOM 1457 C LEU A 113 -10.097 0.009 5.353 1.00 0.00 C ATOM 1458 O LEU A 113 -10.221 0.965 4.590 1.00 0.00 O ATOM 1459 CB LEU A 113 -7.786 -0.949 5.540 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.357 -0.762 6.079 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.429 -1.782 5.408 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -5.836 0.656 5.813 1.00 0.00 C ATOM 0 H LEU A 113 -8.624 -1.544 7.757 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.491 0.898 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.055 -2.002 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.793 -0.701 4.479 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.375 -0.917 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.415 -1.655 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.775 -2.791 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.437 -1.626 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.824 0.752 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.827 0.845 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.486 1.380 6.303 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.031 -0.941 5.444 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.281 -0.899 4.692 1.00 0.00 C ATOM 1476 C LYS A 114 -13.147 0.251 5.214 1.00 0.00 C ATOM 1477 O LYS A 114 -13.783 0.955 4.432 1.00 0.00 O ATOM 1478 CB LYS A 114 -12.945 -2.287 4.806 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.132 -2.550 3.866 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.460 -1.935 4.335 1.00 0.00 C ATOM 1481 CE LYS A 114 -16.604 -2.434 3.438 1.00 0.00 C ATOM 1482 NZ LYS A 114 -17.441 -1.355 2.867 1.00 0.00 N ATOM 0 H LYS A 114 -10.939 -1.761 6.043 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.122 -0.697 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.186 -3.046 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.285 -2.421 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.892 -2.157 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.262 -3.627 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.652 -2.208 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.402 -0.847 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.182 -3.021 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.240 -3.104 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.029 -1.740 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -18.054 -0.962 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.829 -0.604 2.489 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.241 0.412 6.532 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.031 1.454 7.164 1.00 0.00 C ATOM 1498 C LYS A 115 -13.387 2.830 6.997 1.00 0.00 C ATOM 1499 O LYS A 115 -14.119 3.813 7.023 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.195 1.099 8.651 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.660 0.807 9.009 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.241 -0.447 8.327 1.00 0.00 C ATOM 1503 CE LYS A 115 -15.467 -1.724 8.693 1.00 0.00 C ATOM 1504 NZ LYS A 115 -16.271 -2.693 9.465 1.00 0.00 N ATOM 0 H LYS A 115 -12.760 -0.192 7.199 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.008 1.509 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.583 0.229 8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.828 1.922 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.741 0.689 10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.268 1.670 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.286 -0.563 8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.222 -0.311 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.114 -2.202 7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.584 -1.452 9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.648 -3.430 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.753 -2.201 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.979 -3.131 8.842 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.072 2.912 6.810 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.403 4.144 6.428 1.00 0.00 C ATOM 1520 C GLU A 116 -11.748 4.452 4.972 1.00 0.00 C ATOM 1521 O GLU A 116 -12.468 5.404 4.704 1.00 0.00 O ATOM 1522 CB GLU A 116 -9.884 4.046 6.638 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.373 3.786 8.065 1.00 0.00 C ATOM 1524 CD GLU A 116 -9.845 4.732 9.181 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -11.042 5.084 9.271 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -9.085 4.937 10.159 1.00 0.00 O ATOM 0 H GLU A 116 -11.441 2.119 6.921 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.750 4.959 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.508 3.249 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.437 4.976 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.659 2.772 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.284 3.815 8.041 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.303 3.639 4.012 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.176 4.070 2.617 1.00 0.00 C ATOM 1535 C PHE A 117 -12.083 3.278 1.666 1.00 0.00 C ATOM 1536 O PHE A 117 -11.792 3.153 0.473 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.704 3.990 2.198 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.703 4.582 3.166 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.656 5.971 3.391 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.826 3.728 3.860 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.741 6.500 4.316 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.923 4.258 4.792 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.881 5.643 5.024 1.00 0.00 C ATOM 0 H PHE A 117 -11.023 2.672 4.176 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.515 5.104 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.449 2.942 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.593 4.494 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.323 6.629 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.849 2.664 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.698 7.566 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.258 3.600 5.333 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.188 6.049 5.746 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.166 2.676 2.173 1.00 0.00 N ATOM 1554 CA TYR A 118 -14.086 1.893 1.346 1.00 0.00 C ATOM 1555 C TYR A 118 -15.525 1.901 1.891 1.00 0.00 C ATOM 1556 O TYR A 118 -16.280 0.936 1.705 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.529 0.470 1.195 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.902 -0.234 -0.095 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.474 0.285 -1.335 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.607 -1.450 -0.047 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.698 -0.443 -2.522 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.880 -2.155 -1.228 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.421 -1.665 -2.468 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.757 -2.364 -3.587 1.00 0.00 O ATOM 0 H TYR A 118 -13.426 2.718 3.158 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.153 2.357 0.362 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.442 0.513 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.880 -0.132 2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.974 1.241 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.939 -1.842 0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -13.323 -0.074 -3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.443 -3.076 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 118 -15.249 -3.172 -3.332 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.913 2.949 2.629 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.179 3.016 3.332 1.00 0.00 C ATOM 1576 C GLN A 119 -18.306 3.076 2.285 1.00 0.00 C ATOM 1577 O GLN A 119 -19.198 2.221 2.268 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.261 4.275 4.224 1.00 0.00 C ATOM 1579 CG GLN A 119 -15.974 4.980 4.690 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.688 6.199 3.810 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -16.550 7.028 3.560 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.531 6.310 3.203 1.00 0.00 N ATOM 0 H GLN A 119 -15.339 3.783 2.750 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.275 2.138 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -17.857 5.013 3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -17.821 4.002 5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -16.077 5.290 5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -15.135 4.286 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -13.790 5.634 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -14.372 7.072 2.544 1.00 0.00 H new ATOM 1591 N THR A 120 -18.265 4.115 1.441 1.00 0.00 N ATOM 1592 CA THR A 120 -19.327 4.472 0.492 1.00 0.00 C ATOM 1593 C THR A 120 -19.290 3.555 -0.738 1.00 0.00 C ATOM 1594 O THR A 120 -18.344 2.785 -0.907 1.00 0.00 O ATOM 1595 CB THR A 120 -19.234 5.964 0.095 1.00 0.00 C ATOM 1596 OG1 THR A 120 -18.161 6.182 -0.788 1.00 0.00 O ATOM 1597 CG2 THR A 120 -19.014 6.889 1.289 1.00 0.00 C ATOM 0 H THR A 120 -17.468 4.750 1.399 1.00 0.00 H new ATOM 0 HA THR A 120 -20.289 4.324 0.983 1.00 0.00 H new ATOM 0 HB THR A 120 -20.192 6.194 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.122 7.132 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.958 7.921 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 120 -19.844 6.785 1.988 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.083 6.622 1.789 1.00 0.00 H new ATOM 1605 N ARG A 121 -20.296 3.645 -1.623 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.266 2.944 -2.912 1.00 0.00 C ATOM 1607 C ARG A 121 -19.504 3.713 -3.977 1.00 0.00 C ATOM 1608 O ARG A 121 -18.674 3.120 -4.656 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.656 2.570 -3.462 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.840 3.507 -3.171 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.649 3.041 -1.948 1.00 0.00 C ATOM 1612 NE ARG A 121 -24.992 3.643 -1.916 1.00 0.00 N ATOM 1613 CZ ARG A 121 -26.025 3.289 -2.694 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -25.908 2.307 -3.576 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -27.178 3.937 -2.596 1.00 0.00 N ATOM 0 H ARG A 121 -21.139 4.197 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.740 2.016 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.569 2.474 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.911 1.584 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.470 4.518 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.492 3.551 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.738 1.955 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.112 3.303 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 121 -25.150 4.394 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.023 1.809 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.703 2.049 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.278 4.703 -1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.965 3.669 -3.187 1.00 0.00 H new ATOM 1629 N SER A 122 -19.805 4.989 -4.167 1.00 0.00 N ATOM 1630 CA SER A 122 -19.219 5.830 -5.202 1.00 0.00 C ATOM 1631 C SER A 122 -17.695 5.777 -5.149 1.00 0.00 C ATOM 1632 O SER A 122 -17.073 5.557 -6.182 1.00 0.00 O ATOM 1633 CB SER A 122 -19.806 7.236 -5.029 1.00 0.00 C ATOM 1634 OG SER A 122 -20.169 7.504 -3.672 1.00 0.00 O ATOM 0 H SER A 122 -20.484 5.483 -3.588 1.00 0.00 H new ATOM 0 HA SER A 122 -19.468 5.475 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.078 7.976 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.684 7.343 -5.667 1.00 0.00 H new ATOM 0 HG SER A 122 -20.537 8.410 -3.605 1.00 0.00 H new ATOM 1640 N GLN A 123 -17.124 5.798 -3.939 1.00 0.00 N ATOM 1641 CA GLN A 123 -15.685 5.723 -3.696 1.00 0.00 C ATOM 1642 C GLN A 123 -15.044 4.590 -4.486 1.00 0.00 C ATOM 1643 O GLN A 123 -14.005 4.776 -5.114 1.00 0.00 O ATOM 1644 CB GLN A 123 -15.513 5.533 -2.186 1.00 0.00 C ATOM 1645 CG GLN A 123 -14.144 5.100 -1.642 1.00 0.00 C ATOM 1646 CD GLN A 123 -14.067 5.394 -0.147 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -15.145 5.171 0.588 1.00 0.00 O flip ATOM 1648 NE2 GLN A 123 -13.062 5.849 0.381 1.00 0.00 N flip ATOM 0 H GLN A 123 -17.669 5.870 -3.080 1.00 0.00 H new ATOM 0 HA GLN A 123 -15.183 6.631 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.776 6.474 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.245 4.793 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.991 4.036 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -13.349 5.629 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -12.227 6.024 -0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -13.059 6.054 1.380 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.685 3.420 -4.457 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.163 2.152 -4.941 1.00 0.00 C ATOM 1659 C LYS A 124 -14.800 2.170 -6.417 1.00 0.00 C ATOM 1660 O LYS A 124 -14.039 1.298 -6.829 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.191 1.042 -4.695 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.668 0.992 -3.241 1.00 0.00 C ATOM 1663 CD LYS A 124 -17.576 -0.210 -3.025 1.00 0.00 C ATOM 1664 CE LYS A 124 -17.912 -0.294 -1.540 1.00 0.00 C ATOM 1665 NZ LYS A 124 -18.813 -1.419 -1.251 1.00 0.00 N ATOM 0 H LYS A 124 -16.627 3.333 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.244 1.966 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.049 1.195 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -15.753 0.081 -4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -15.810 0.933 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.203 1.909 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.487 -0.109 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -17.082 -1.124 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -16.993 -0.406 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.378 0.638 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -19.020 -1.445 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.700 -1.299 -1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -18.358 -2.310 -1.535 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.343 3.110 -7.198 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.928 3.344 -8.573 1.00 0.00 C ATOM 1681 C ARG A 125 -13.431 3.589 -8.576 1.00 0.00 C ATOM 1682 O ARG A 125 -12.686 2.708 -8.983 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.717 4.525 -9.164 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.862 4.106 -10.079 1.00 0.00 C ATOM 1685 CD ARG A 125 -17.914 3.165 -9.478 1.00 0.00 C ATOM 1686 NE ARG A 125 -18.868 2.765 -10.527 1.00 0.00 N ATOM 1687 CZ ARG A 125 -19.720 1.734 -10.490 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -19.891 1.011 -9.391 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -20.428 1.425 -11.569 1.00 0.00 N ATOM 0 H ARG A 125 -16.089 3.732 -6.885 1.00 0.00 H new ATOM 0 HA ARG A 125 -15.140 2.479 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.118 5.126 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -15.033 5.163 -9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.369 5.007 -10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.436 3.623 -10.958 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.431 2.284 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -18.440 3.662 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.880 3.335 -11.372 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -19.366 1.236 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -20.547 0.230 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -20.322 1.973 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -21.078 0.640 -11.545 1.00 0.00 H new ATOM 1703 N GLU A 126 -13.004 4.737 -8.056 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.615 5.159 -8.097 1.00 0.00 C ATOM 1705 C GLU A 126 -10.706 4.140 -7.439 1.00 0.00 C ATOM 1706 O GLU A 126 -9.623 3.877 -7.940 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.426 6.470 -7.342 1.00 0.00 C ATOM 1708 CG GLU A 126 -12.014 7.673 -8.052 1.00 0.00 C ATOM 1709 CD GLU A 126 -13.534 7.786 -7.924 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -14.033 8.186 -6.843 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -14.238 7.470 -8.910 1.00 0.00 O ATOM 0 H GLU A 126 -13.621 5.403 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.359 5.272 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.884 6.381 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.361 6.638 -7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.557 8.578 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.751 7.624 -9.109 1.00 0.00 H new ATOM 1718 N VAL A 127 -11.150 3.603 -6.302 1.00 0.00 N ATOM 1719 CA VAL A 127 -10.385 2.613 -5.550 1.00 0.00 C ATOM 1720 C VAL A 127 -10.013 1.443 -6.463 1.00 0.00 C ATOM 1721 O VAL A 127 -8.829 1.160 -6.636 1.00 0.00 O ATOM 1722 CB VAL A 127 -11.105 2.145 -4.277 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -10.147 1.298 -3.430 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -11.584 3.306 -3.401 1.00 0.00 C ATOM 0 H VAL A 127 -12.047 3.842 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 127 -9.469 3.091 -5.204 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.975 1.576 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.658 0.966 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.824 0.430 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -9.278 1.896 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -12.085 2.912 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -10.728 3.908 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -12.280 3.925 -3.967 1.00 0.00 H new ATOM 1734 N ASP A 128 -11.018 0.773 -7.040 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.768 -0.316 -7.992 1.00 0.00 C ATOM 1736 C ASP A 128 -9.924 0.165 -9.176 1.00 0.00 C ATOM 1737 O ASP A 128 -9.103 -0.586 -9.692 1.00 0.00 O ATOM 1738 CB ASP A 128 -12.086 -0.921 -8.512 1.00 0.00 C ATOM 1739 CG ASP A 128 -12.062 -2.453 -8.536 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -11.014 -3.071 -8.821 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -13.116 -3.068 -8.240 1.00 0.00 O ATOM 0 H ASP A 128 -12.005 0.964 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.216 -1.087 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.909 -0.584 -7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.281 -0.549 -9.518 1.00 0.00 H new ATOM 1746 N ASP A 129 -10.107 1.421 -9.593 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.414 2.038 -10.723 1.00 0.00 C ATOM 1748 C ASP A 129 -7.908 2.145 -10.451 1.00 0.00 C ATOM 1749 O ASP A 129 -7.109 1.808 -11.323 1.00 0.00 O ATOM 1750 CB ASP A 129 -10.047 3.410 -11.049 1.00 0.00 C ATOM 1751 CG ASP A 129 -10.124 3.715 -12.544 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -9.345 3.158 -13.352 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -11.062 4.449 -12.930 1.00 0.00 O ATOM 0 H ASP A 129 -10.763 2.055 -9.137 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.531 1.402 -11.601 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.052 3.445 -10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.469 4.192 -10.558 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.486 2.530 -9.239 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.081 2.493 -8.817 1.00 0.00 C ATOM 1760 C TYR A 130 -5.546 1.062 -8.917 1.00 0.00 C ATOM 1761 O TYR A 130 -4.465 0.839 -9.466 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.907 3.041 -7.390 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.354 4.478 -7.184 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -5.816 5.498 -7.985 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -7.303 4.816 -6.201 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -6.257 6.820 -7.860 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.781 6.133 -6.100 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.270 7.143 -6.938 1.00 0.00 C ATOM 1769 OH TYR A 130 -7.705 8.423 -6.799 1.00 0.00 O ATOM 0 H TYR A 130 -8.117 2.879 -8.518 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.506 3.135 -9.484 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.464 2.403 -6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.855 2.963 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -5.050 5.259 -8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -7.665 4.059 -5.521 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -5.819 7.594 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -8.545 6.373 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.408 8.457 -6.117 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.308 0.075 -8.431 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.903 -1.329 -8.492 1.00 0.00 C ATOM 1781 C VAL A 131 -5.814 -1.811 -9.949 1.00 0.00 C ATOM 1782 O VAL A 131 -5.021 -2.699 -10.260 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.858 -2.220 -7.665 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.280 -3.635 -7.564 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -7.066 -1.742 -6.221 1.00 0.00 C ATOM 0 H VAL A 131 -7.214 0.228 -7.989 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.910 -1.412 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.813 -2.180 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.954 -4.263 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -6.168 -4.054 -8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.306 -3.596 -7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.748 -2.420 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.108 -1.729 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.489 -0.738 -6.228 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.638 -1.262 -10.844 1.00 0.00 N ATOM 1796 CA ALA A 132 -6.674 -1.615 -12.254 1.00 0.00 C ATOM 1797 C ALA A 132 -5.640 -0.855 -13.093 1.00 0.00 C ATOM 1798 O ALA A 132 -5.393 -1.238 -14.239 1.00 0.00 O ATOM 1799 CB ALA A 132 -8.075 -1.346 -12.803 1.00 0.00 C ATOM 0 H ALA A 132 -7.315 -0.541 -10.595 1.00 0.00 H new ATOM 0 HA ALA A 132 -6.423 -2.673 -12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -8.108 -1.609 -13.860 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.802 -1.947 -12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -8.316 -0.290 -12.684 1.00 0.00 H new ATOM 1805 N GLY A 133 -5.058 0.220 -12.560 1.00 0.00 N ATOM 1806 CA GLY A 133 -4.079 1.045 -13.251 1.00 0.00 C ATOM 1807 C GLY A 133 -2.656 0.660 -12.883 1.00 0.00 C ATOM 1808 O GLY A 133 -1.754 0.811 -13.710 1.00 0.00 O ATOM 0 H GLY A 133 -5.262 0.545 -11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -4.215 0.946 -14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.247 2.093 -13.004 1.00 0.00 H new ATOM 1812 N LEU A 134 -2.426 0.209 -11.646 1.00 0.00 N ATOM 1813 CA LEU A 134 -1.082 -0.062 -11.150 1.00 0.00 C ATOM 1814 C LEU A 134 -0.351 -1.097 -12.002 1.00 0.00 C ATOM 1815 O LEU A 134 -0.972 -1.957 -12.626 1.00 0.00 O ATOM 1816 CB LEU A 134 -1.098 -0.424 -9.659 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.783 -1.733 -9.221 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.922 -2.981 -9.437 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -2.064 -1.650 -7.713 1.00 0.00 C ATOM 0 H LEU A 134 -3.165 0.024 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 134 -0.508 0.860 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -0.064 -0.462 -9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.580 0.395 -9.125 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.683 -1.830 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.470 -3.863 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.683 -3.079 -10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.000 -2.890 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.549 -2.568 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -1.125 -1.522 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.717 -0.801 -7.511 1.00 0.00 H new ATOM 1831 N ARG A 135 0.977 -0.993 -12.030 1.00 0.00 N ATOM 1832 CA ARG A 135 1.850 -1.959 -12.684 1.00 0.00 C ATOM 1833 C ARG A 135 2.268 -2.997 -11.654 1.00 0.00 C ATOM 1834 O ARG A 135 2.443 -2.646 -10.489 1.00 0.00 O ATOM 1835 CB ARG A 135 3.109 -1.244 -13.193 1.00 0.00 C ATOM 1836 CG ARG A 135 2.841 -0.198 -14.283 1.00 0.00 C ATOM 1837 CD ARG A 135 4.135 0.540 -14.676 1.00 0.00 C ATOM 1838 NE ARG A 135 5.227 -0.368 -15.073 1.00 0.00 N ATOM 1839 CZ ARG A 135 5.235 -1.134 -16.166 1.00 0.00 C ATOM 1840 NH1 ARG A 135 4.290 -0.995 -17.084 1.00 0.00 N ATOM 1841 NH2 ARG A 135 6.182 -2.050 -16.322 1.00 0.00 N ATOM 0 H ARG A 135 1.481 -0.223 -11.591 1.00 0.00 H new ATOM 0 HA ARG A 135 1.329 -2.428 -13.519 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.602 -0.757 -12.352 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.804 -1.988 -13.582 1.00 0.00 H new ATOM 0 HG2 ARG A 135 2.415 -0.684 -15.161 1.00 0.00 H new ATOM 0 HG3 ARG A 135 2.103 0.521 -13.928 1.00 0.00 H new ATOM 0 HD2 ARG A 135 3.921 1.221 -15.500 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.467 1.150 -13.836 1.00 0.00 H new ATOM 0 HE ARG A 135 6.043 -0.414 -14.463 1.00 0.00 H new ATOM 0 HH11 ARG A 135 3.553 -0.301 -16.957 1.00 0.00 H new ATOM 0 HH12 ARG A 135 4.299 -1.582 -17.918 1.00 0.00 H new ATOM 0 HH21 ARG A 135 6.901 -2.167 -15.608 1.00 0.00 H new ATOM 0 HH22 ARG A 135 6.191 -2.637 -17.156 1.00 0.00 H new ATOM 1855 N THR A 136 2.582 -4.205 -12.101 1.00 0.00 N ATOM 1856 CA THR A 136 3.143 -5.285 -11.278 1.00 0.00 C ATOM 1857 C THR A 136 4.372 -5.890 -11.985 1.00 0.00 C ATOM 1858 O THR A 136 4.698 -7.067 -11.835 1.00 0.00 O ATOM 1859 CB THR A 136 2.060 -6.328 -10.979 1.00 0.00 C ATOM 1860 OG1 THR A 136 0.789 -5.739 -10.775 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.375 -7.167 -9.734 1.00 0.00 C ATOM 0 H THR A 136 2.452 -4.476 -13.076 1.00 0.00 H new ATOM 0 HA THR A 136 3.482 -4.892 -10.319 1.00 0.00 H new ATOM 0 HB THR A 136 2.044 -6.966 -11.862 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.130 -6.440 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.575 -7.889 -9.570 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.317 -7.696 -9.880 1.00 0.00 H new ATOM 0 HG23 THR A 136 2.457 -6.513 -8.866 1.00 0.00 H new ATOM 1869 N GLU A 137 4.990 -5.062 -12.831 1.00 0.00 N ATOM 1870 CA GLU A 137 5.959 -5.375 -13.877 1.00 0.00 C ATOM 1871 C GLU A 137 5.472 -6.533 -14.743 1.00 0.00 C ATOM 1872 O GLU A 137 4.242 -6.622 -14.961 1.00 0.00 O ATOM 1873 CB GLU A 137 7.402 -5.498 -13.342 1.00 0.00 C ATOM 1874 CG GLU A 137 7.679 -6.677 -12.397 1.00 0.00 C ATOM 1875 CD GLU A 137 9.173 -7.002 -12.272 1.00 0.00 C ATOM 1876 OE1 GLU A 137 10.013 -6.088 -12.075 1.00 0.00 O ATOM 1877 OE2 GLU A 137 9.522 -8.205 -12.328 1.00 0.00 O ATOM 0 H GLU A 137 4.804 -4.060 -12.795 1.00 0.00 H new ATOM 0 HA GLU A 137 6.025 -4.523 -14.553 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.077 -5.576 -14.194 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.653 -4.575 -12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.278 -6.447 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.149 -7.558 -12.759 1.00 0.00 H new TER 1884 GLU A 137