USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 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 112 GLN :FLIP amide:sc= 0.289 F(o=-2.6,f=0.82) USER MOD Set 1.2: A 114 THR OG1 : rot 171:sc= 0.526 USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 ASN :FLIP amide:sc= 0.579 F(o=-0.83,f=0.58) USER MOD Set 3.1: A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 52 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.203 F(o=-1.9,f=-0.2) USER MOD Single : A 5 GLN : amide:sc= -0.317 K(o=-0.32,f=-0.88) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 17 SER OG : rot 4:sc= 1 USER MOD Single : A 21 SER OG : rot -13:sc= 0.224 USER MOD Single : A 25 SER OG : rot -1:sc= 1.08 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -130:sc= -0.13 USER MOD Single : A 31 SER OG : rot 67:sc= 0.479 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -157:sc= -4.48 (180deg=-6.41!) USER MOD Single : A 39 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.12) USER MOD Single : A 49 SER OG : rot -99:sc= 1.5 USER MOD Single : A 50 THR OG1 : rot 103:sc= 0.326 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 110:sc= -0.462 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 74 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.043) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.3!) USER MOD Single : A 83 MET CE :methyl -172:sc= -7.27! (180deg=-7.74!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 147:sc= -0.346 (180deg=-1.72!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 94 TYR OH : rot 160:sc= 1.73 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 55:sc= 1.32 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 111 THR OG1 : rot -150:sc= 0.0421 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -7.561 -8.651 5.786 1.00 0.00 N ATOM 16 CA VAL A 2 -7.654 -9.764 4.847 1.00 0.00 C ATOM 17 C VAL A 2 -6.311 -10.466 4.683 1.00 0.00 C ATOM 18 O VAL A 2 -6.035 -11.067 3.644 1.00 0.00 O ATOM 19 CB VAL A 2 -8.159 -9.294 3.466 1.00 0.00 C ATOM 20 CG1 VAL A 2 -9.402 -8.430 3.615 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.070 -8.536 2.722 1.00 0.00 C ATOM 0 HA VAL A 2 -8.372 -10.470 5.264 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.421 -10.177 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.742 -8.109 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.189 -9.006 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.166 -7.555 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.448 -8.215 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.773 -7.663 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.208 -9.187 2.578 1.00 0.00 H new ATOM 31 N GLN A 3 -5.487 -10.387 5.721 1.00 0.00 N ATOM 32 CA GLN A 3 -4.162 -11.011 5.717 1.00 0.00 C ATOM 33 C GLN A 3 -3.275 -10.423 4.619 1.00 0.00 C ATOM 34 O GLN A 3 -3.769 -9.835 3.658 1.00 0.00 O ATOM 35 CB GLN A 3 -4.283 -12.530 5.537 1.00 0.00 C ATOM 36 CG GLN A 3 -3.956 -13.005 4.129 1.00 0.00 C ATOM 37 CD GLN A 3 -2.624 -13.725 4.050 1.00 0.00 C ATOM 38 OE1 GLN A 3 -1.680 -13.141 3.320 1.00 0.00 O flip ATOM 39 NE2 GLN A 3 -2.444 -14.791 4.637 1.00 0.00 N flip ATOM 0 H GLN A 3 -5.712 -9.893 6.585 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.695 -10.804 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.616 -13.025 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.298 -12.837 5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.746 -13.671 3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.942 -12.149 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.197 -15.204 5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.541 -15.262 4.574 1.00 0.00 H new ATOM 48 N LEU A 4 -1.963 -10.596 4.766 1.00 0.00 N ATOM 49 CA LEU A 4 -1.008 -10.089 3.784 1.00 0.00 C ATOM 50 C LEU A 4 0.261 -10.939 3.758 1.00 0.00 C ATOM 51 O LEU A 4 0.607 -11.587 4.747 1.00 0.00 O ATOM 52 CB LEU A 4 -0.645 -8.637 4.095 1.00 0.00 C ATOM 53 CG LEU A 4 -1.816 -7.660 4.094 1.00 0.00 C ATOM 54 CD1 LEU A 4 -1.436 -6.345 4.753 1.00 0.00 C ATOM 55 CD2 LEU A 4 -2.304 -7.412 2.679 1.00 0.00 C ATOM 0 H LEU A 4 -1.538 -11.083 5.555 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.481 -10.142 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.164 -8.601 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.090 -8.299 3.365 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.623 -8.110 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.291 -5.669 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.138 -6.528 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.606 -5.893 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.140 -6.712 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.494 -6.992 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.630 -8.353 2.236 1.00 0.00 H new ATOM 67 N GLN A 5 0.952 -10.924 2.621 1.00 0.00 N ATOM 68 CA GLN A 5 2.187 -11.685 2.462 1.00 0.00 C ATOM 69 C GLN A 5 3.100 -11.015 1.440 1.00 0.00 C ATOM 70 O GLN A 5 2.982 -11.252 0.237 1.00 0.00 O ATOM 71 CB GLN A 5 1.879 -13.122 2.031 1.00 0.00 C ATOM 72 CG GLN A 5 3.093 -14.039 2.056 1.00 0.00 C ATOM 73 CD GLN A 5 3.762 -14.086 3.417 1.00 0.00 C ATOM 74 OE1 GLN A 5 4.547 -13.204 3.766 1.00 0.00 O ATOM 75 NE2 GLN A 5 3.454 -15.119 4.192 1.00 0.00 N ATOM 0 H GLN A 5 0.677 -10.392 1.795 1.00 0.00 H new ATOM 0 HA GLN A 5 2.699 -11.711 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.111 -13.532 2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.464 -13.109 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.789 -15.046 1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.814 -13.701 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.798 -15.827 3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.873 -15.205 5.118 1.00 0.00 H new ATOM 84 N ALA A 6 4.005 -10.173 1.927 1.00 0.00 N ATOM 85 CA ALA A 6 4.933 -9.460 1.059 1.00 0.00 C ATOM 86 C ALA A 6 6.313 -10.103 1.071 1.00 0.00 C ATOM 87 O ALA A 6 6.793 -10.553 2.112 1.00 0.00 O ATOM 88 CB ALA A 6 5.026 -7.996 1.470 1.00 0.00 C ATOM 0 H ALA A 6 4.115 -9.968 2.920 1.00 0.00 H new ATOM 0 HA ALA A 6 4.548 -9.517 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.723 -7.477 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.042 -7.533 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.380 -7.929 2.499 1.00 0.00 H new ATOM 94 N SER A 7 6.943 -10.140 -0.097 1.00 0.00 N ATOM 95 CA SER A 7 8.270 -10.722 -0.236 1.00 0.00 C ATOM 96 C SER A 7 9.081 -9.958 -1.276 1.00 0.00 C ATOM 97 O SER A 7 8.532 -9.464 -2.261 1.00 0.00 O ATOM 98 CB SER A 7 8.165 -12.195 -0.635 1.00 0.00 C ATOM 99 OG SER A 7 9.317 -12.614 -1.345 1.00 0.00 O ATOM 0 H SER A 7 6.553 -9.772 -0.965 1.00 0.00 H new ATOM 0 HA SER A 7 8.778 -10.652 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.041 -12.809 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.279 -12.346 -1.252 1.00 0.00 H new ATOM 0 HG SER A 7 9.226 -13.559 -1.587 1.00 0.00 H new ATOM 105 N GLY A 8 10.386 -9.863 -1.051 1.00 0.00 N ATOM 106 CA GLY A 8 11.243 -9.156 -1.981 1.00 0.00 C ATOM 107 C GLY A 8 12.305 -8.332 -1.284 1.00 0.00 C ATOM 108 O GLY A 8 13.126 -7.690 -1.939 1.00 0.00 O ATOM 0 H GLY A 8 10.864 -10.262 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.724 -9.875 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.634 -8.503 -2.606 1.00 0.00 H new ATOM 112 N GLY A 9 12.292 -8.354 0.048 1.00 0.00 N ATOM 113 CA GLY A 9 13.272 -7.603 0.811 1.00 0.00 C ATOM 114 C GLY A 9 14.690 -8.007 0.463 1.00 0.00 C ATOM 115 O GLY A 9 15.219 -8.974 1.012 1.00 0.00 O ATOM 0 H GLY A 9 11.621 -8.878 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.141 -6.538 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.101 -7.760 1.876 1.00 0.00 H new ATOM 119 N GLY A 10 15.299 -7.279 -0.466 1.00 0.00 N ATOM 120 CA GLY A 10 16.651 -7.600 -0.887 1.00 0.00 C ATOM 121 C GLY A 10 17.695 -6.621 -0.381 1.00 0.00 C ATOM 122 O GLY A 10 17.393 -5.719 0.405 1.00 0.00 O ATOM 0 H GLY A 10 14.883 -6.474 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.904 -8.601 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.687 -7.625 -1.976 1.00 0.00 H new ATOM 126 N LEU A 11 18.929 -6.813 -0.841 1.00 0.00 N ATOM 127 CA LEU A 11 20.048 -5.962 -0.454 1.00 0.00 C ATOM 128 C LEU A 11 20.479 -5.083 -1.623 1.00 0.00 C ATOM 129 O LEU A 11 20.858 -5.589 -2.680 1.00 0.00 O ATOM 130 CB LEU A 11 21.229 -6.824 0.003 1.00 0.00 C ATOM 131 CG LEU A 11 21.517 -6.809 1.505 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.866 -5.405 1.973 1.00 0.00 C ATOM 133 CD2 LEU A 11 20.328 -7.355 2.282 1.00 0.00 C ATOM 0 H LEU A 11 19.179 -7.560 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 11 19.727 -5.323 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.044 -7.854 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 11 22.124 -6.491 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 11 22.376 -7.453 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.067 -5.418 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.751 -5.054 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.031 -4.735 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.551 -7.337 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.450 -6.740 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.130 -8.380 1.970 1.00 0.00 H new ATOM 145 N VAL A 12 20.425 -3.768 -1.434 1.00 0.00 N ATOM 146 CA VAL A 12 20.818 -2.837 -2.488 1.00 0.00 C ATOM 147 C VAL A 12 21.851 -1.837 -1.993 1.00 0.00 C ATOM 148 O VAL A 12 22.276 -1.876 -0.841 1.00 0.00 O ATOM 149 CB VAL A 12 19.613 -2.057 -3.048 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.539 -3.007 -3.549 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.054 -1.104 -2.000 1.00 0.00 C ATOM 0 H VAL A 12 20.116 -3.325 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 12 21.249 -3.447 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 12 19.956 -1.463 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.699 -2.433 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.949 -3.635 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.198 -3.636 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.204 -0.563 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 12 18.731 -1.672 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 12 19.826 -0.394 -1.705 1.00 0.00 H new ATOM 161 N GLN A 13 22.235 -0.930 -2.881 1.00 0.00 N ATOM 162 CA GLN A 13 23.204 0.105 -2.560 1.00 0.00 C ATOM 163 C GLN A 13 22.664 1.461 -3.002 1.00 0.00 C ATOM 164 O GLN A 13 21.913 1.540 -3.972 1.00 0.00 O ATOM 165 CB GLN A 13 24.549 -0.204 -3.234 1.00 0.00 C ATOM 166 CG GLN A 13 25.281 1.015 -3.779 1.00 0.00 C ATOM 167 CD GLN A 13 25.411 0.987 -5.289 1.00 0.00 C ATOM 168 OE1 GLN A 13 26.453 0.613 -5.828 1.00 0.00 O ATOM 169 NE2 GLN A 13 24.351 1.385 -5.982 1.00 0.00 N ATOM 0 H GLN A 13 21.885 -0.892 -3.838 1.00 0.00 H new ATOM 0 HA GLN A 13 23.368 0.132 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.194 -0.707 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 13 24.378 -0.904 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 24.749 1.918 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 13 26.274 1.068 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 13 23.507 1.687 -5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.380 1.389 -7.002 1.00 0.00 H new ATOM 178 N PRO A 14 23.026 2.545 -2.293 1.00 0.00 N ATOM 179 CA PRO A 14 22.558 3.895 -2.624 1.00 0.00 C ATOM 180 C PRO A 14 22.657 4.197 -4.116 1.00 0.00 C ATOM 181 O PRO A 14 23.704 4.613 -4.611 1.00 0.00 O ATOM 182 CB PRO A 14 23.500 4.788 -1.821 1.00 0.00 C ATOM 183 CG PRO A 14 23.845 3.968 -0.627 1.00 0.00 C ATOM 184 CD PRO A 14 23.912 2.546 -1.111 1.00 0.00 C ATOM 0 HA PRO A 14 21.504 4.040 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.389 5.049 -2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.018 5.723 -1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 14 24.798 4.281 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.093 4.080 0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 14 24.930 2.258 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 14 23.568 1.846 -0.350 1.00 0.00 H new ATOM 192 N GLY A 15 21.553 3.975 -4.827 1.00 0.00 N ATOM 193 CA GLY A 15 21.524 4.218 -6.258 1.00 0.00 C ATOM 194 C GLY A 15 21.168 2.975 -7.054 1.00 0.00 C ATOM 195 O GLY A 15 21.317 2.951 -8.277 1.00 0.00 O ATOM 0 H GLY A 15 20.677 3.630 -4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.800 5.004 -6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.499 4.585 -6.580 1.00 0.00 H new ATOM 199 N GLY A 16 20.698 1.941 -6.361 1.00 0.00 N ATOM 200 CA GLY A 16 20.327 0.705 -7.026 1.00 0.00 C ATOM 201 C GLY A 16 18.872 0.689 -7.448 1.00 0.00 C ATOM 202 O GLY A 16 18.326 1.713 -7.859 1.00 0.00 O ATOM 0 H GLY A 16 20.568 1.938 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 16 20.958 0.564 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.518 -0.135 -6.358 1.00 0.00 H new ATOM 206 N SER A 17 18.242 -0.477 -7.342 1.00 0.00 N ATOM 207 CA SER A 17 16.840 -0.626 -7.713 1.00 0.00 C ATOM 208 C SER A 17 16.262 -1.922 -7.153 1.00 0.00 C ATOM 209 O SER A 17 16.645 -3.016 -7.568 1.00 0.00 O ATOM 210 CB SER A 17 16.683 -0.598 -9.236 1.00 0.00 C ATOM 211 OG SER A 17 17.116 -1.816 -9.818 1.00 0.00 O ATOM 0 H SER A 17 18.681 -1.333 -7.002 1.00 0.00 H new ATOM 0 HA SER A 17 16.289 0.211 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.639 -0.420 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.259 0.230 -9.649 1.00 0.00 H new ATOM 0 HG SER A 17 17.374 -2.443 -9.110 1.00 0.00 H new ATOM 217 N LEU A 18 15.340 -1.790 -6.205 1.00 0.00 N ATOM 218 CA LEU A 18 14.711 -2.950 -5.585 1.00 0.00 C ATOM 219 C LEU A 18 13.232 -3.027 -5.950 1.00 0.00 C ATOM 220 O LEU A 18 12.577 -2.005 -6.147 1.00 0.00 O ATOM 221 CB LEU A 18 14.867 -2.892 -4.063 1.00 0.00 C ATOM 222 CG LEU A 18 14.426 -4.153 -3.317 1.00 0.00 C ATOM 223 CD1 LEU A 18 15.330 -5.324 -3.667 1.00 0.00 C ATOM 224 CD2 LEU A 18 14.425 -3.910 -1.816 1.00 0.00 C ATOM 0 H LEU A 18 15.012 -0.892 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 18 15.209 -3.844 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.913 -2.697 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.292 -2.046 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 18 13.410 -4.399 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.001 -6.212 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.282 -5.513 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.356 -5.088 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.109 -4.817 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.429 -3.639 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.736 -3.099 -1.579 1.00 0.00 H new ATOM 236 N ARG A 19 12.713 -4.248 -6.037 1.00 0.00 N ATOM 237 CA ARG A 19 11.311 -4.462 -6.373 1.00 0.00 C ATOM 238 C ARG A 19 10.647 -5.380 -5.356 1.00 0.00 C ATOM 239 O ARG A 19 10.892 -6.586 -5.339 1.00 0.00 O ATOM 240 CB ARG A 19 11.179 -5.061 -7.776 1.00 0.00 C ATOM 241 CG ARG A 19 9.739 -5.325 -8.193 1.00 0.00 C ATOM 242 CD ARG A 19 9.649 -5.776 -9.643 1.00 0.00 C ATOM 243 NE ARG A 19 10.658 -5.136 -10.481 1.00 0.00 N ATOM 244 CZ ARG A 19 11.416 -5.795 -11.353 1.00 0.00 C ATOM 245 NH1 ARG A 19 11.276 -7.107 -11.497 1.00 0.00 N ATOM 246 NH2 ARG A 19 12.312 -5.144 -12.082 1.00 0.00 N ATOM 0 H ARG A 19 13.244 -5.105 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 19 10.809 -3.495 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.639 -4.384 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.738 -5.996 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.307 -6.089 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.148 -4.419 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.770 -6.858 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.657 -5.547 -10.032 1.00 0.00 H new ATOM 0 HE ARG A 19 10.789 -4.128 -10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.587 -7.611 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.858 -7.612 -12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.421 -4.136 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.892 -5.652 -12.750 1.00 0.00 H new ATOM 260 N VAL A 20 9.804 -4.802 -4.508 1.00 0.00 N ATOM 261 CA VAL A 20 9.106 -5.574 -3.488 1.00 0.00 C ATOM 262 C VAL A 20 7.647 -5.800 -3.883 1.00 0.00 C ATOM 263 O VAL A 20 7.038 -4.965 -4.550 1.00 0.00 O ATOM 264 CB VAL A 20 9.173 -4.880 -2.113 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.613 -4.543 -1.762 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.305 -3.627 -2.093 1.00 0.00 C ATOM 0 H VAL A 20 9.588 -3.805 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 20 9.607 -6.539 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 20 8.785 -5.568 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.645 -4.053 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.203 -5.459 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.025 -3.875 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.369 -3.156 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.655 -2.930 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.269 -3.898 -2.298 1.00 0.00 H new ATOM 276 N SER A 21 7.100 -6.945 -3.485 1.00 0.00 N ATOM 277 CA SER A 21 5.720 -7.291 -3.818 1.00 0.00 C ATOM 278 C SER A 21 4.900 -7.610 -2.571 1.00 0.00 C ATOM 279 O SER A 21 5.447 -7.820 -1.489 1.00 0.00 O ATOM 280 CB SER A 21 5.694 -8.487 -4.773 1.00 0.00 C ATOM 281 OG SER A 21 6.423 -9.580 -4.245 1.00 0.00 O ATOM 0 H SER A 21 7.590 -7.649 -2.932 1.00 0.00 H new ATOM 0 HA SER A 21 5.271 -6.424 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.662 -8.788 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.115 -8.196 -5.735 1.00 0.00 H new ATOM 0 HG SER A 21 6.960 -9.278 -3.483 1.00 0.00 H new ATOM 287 N CYS A 22 3.580 -7.643 -2.742 1.00 0.00 N ATOM 288 CA CYS A 22 2.657 -7.934 -1.648 1.00 0.00 C ATOM 289 C CYS A 22 1.456 -8.718 -2.158 1.00 0.00 C ATOM 290 O CYS A 22 0.813 -8.312 -3.121 1.00 0.00 O ATOM 291 CB CYS A 22 2.175 -6.636 -0.999 1.00 0.00 C ATOM 292 SG CYS A 22 0.448 -6.699 -0.417 1.00 0.00 S ATOM 0 H CYS A 22 3.123 -7.470 -3.637 1.00 0.00 H new ATOM 0 HA CYS A 22 3.187 -8.533 -0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.824 -6.400 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.277 -5.822 -1.717 1.00 0.00 H new ATOM 297 N ALA A 23 1.147 -9.836 -1.510 1.00 0.00 N ATOM 298 CA ALA A 23 0.010 -10.653 -1.918 1.00 0.00 C ATOM 299 C ALA A 23 -0.991 -10.823 -0.783 1.00 0.00 C ATOM 300 O ALA A 23 -0.621 -11.139 0.348 1.00 0.00 O ATOM 301 CB ALA A 23 0.477 -12.011 -2.416 1.00 0.00 C ATOM 0 H ALA A 23 1.663 -10.195 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.492 -10.133 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.386 -12.605 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.140 -11.877 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.013 -12.526 -1.619 1.00 0.00 H new ATOM 307 N ALA A 24 -2.265 -10.614 -1.098 1.00 0.00 N ATOM 308 CA ALA A 24 -3.332 -10.745 -0.113 1.00 0.00 C ATOM 309 C ALA A 24 -4.521 -11.499 -0.696 1.00 0.00 C ATOM 310 O ALA A 24 -4.535 -11.833 -1.880 1.00 0.00 O ATOM 311 CB ALA A 24 -3.766 -9.373 0.376 1.00 0.00 C ATOM 0 H ALA A 24 -2.584 -10.352 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.949 -11.316 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.563 -9.484 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.918 -8.865 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.129 -8.784 -0.467 1.00 0.00 H new ATOM 317 N SER A 25 -5.518 -11.763 0.143 1.00 0.00 N ATOM 318 CA SER A 25 -6.714 -12.478 -0.290 1.00 0.00 C ATOM 319 C SER A 25 -7.854 -12.286 0.704 1.00 0.00 C ATOM 320 O SER A 25 -7.706 -12.567 1.894 1.00 0.00 O ATOM 321 CB SER A 25 -6.412 -13.970 -0.451 1.00 0.00 C ATOM 322 OG SER A 25 -5.589 -14.209 -1.579 1.00 0.00 O ATOM 0 H SER A 25 -5.521 -11.493 1.126 1.00 0.00 H new ATOM 0 HA SER A 25 -7.021 -12.069 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.919 -14.343 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.345 -14.523 -0.555 1.00 0.00 H new ATOM 0 HG SER A 25 -5.398 -13.360 -2.030 1.00 0.00 H new ATOM 328 N GLY A 26 -8.996 -11.813 0.210 1.00 0.00 N ATOM 329 CA GLY A 26 -10.142 -11.602 1.076 1.00 0.00 C ATOM 330 C GLY A 26 -10.950 -10.370 0.708 1.00 0.00 C ATOM 331 O GLY A 26 -11.975 -10.091 1.329 1.00 0.00 O ATOM 0 H GLY A 26 -9.147 -11.573 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.788 -12.479 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.799 -11.509 2.106 1.00 0.00 H new ATOM 335 N PHE A 27 -10.494 -9.631 -0.300 1.00 0.00 N ATOM 336 CA PHE A 27 -11.195 -8.425 -0.735 1.00 0.00 C ATOM 337 C PHE A 27 -10.832 -8.055 -2.170 1.00 0.00 C ATOM 338 O PHE A 27 -11.496 -7.221 -2.788 1.00 0.00 O ATOM 339 CB PHE A 27 -10.892 -7.253 0.209 1.00 0.00 C ATOM 340 CG PHE A 27 -9.505 -6.673 0.072 1.00 0.00 C ATOM 341 CD1 PHE A 27 -8.416 -7.474 -0.245 1.00 0.00 C ATOM 342 CD2 PHE A 27 -9.294 -5.317 0.266 1.00 0.00 C ATOM 343 CE1 PHE A 27 -7.151 -6.934 -0.364 1.00 0.00 C ATOM 344 CE2 PHE A 27 -8.030 -4.771 0.147 1.00 0.00 C ATOM 345 CZ PHE A 27 -6.957 -5.581 -0.168 1.00 0.00 C ATOM 0 H PHE A 27 -9.648 -9.844 -0.828 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.264 -8.636 -0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.621 -6.462 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.031 -7.587 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.560 -8.533 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -10.129 -4.678 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.313 -7.570 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.882 -3.712 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.968 -5.157 -0.261 1.00 0.00 H new ATOM 355 N THR A 28 -9.778 -8.678 -2.692 1.00 0.00 N ATOM 356 CA THR A 28 -9.322 -8.421 -4.055 1.00 0.00 C ATOM 357 C THR A 28 -8.806 -6.991 -4.215 1.00 0.00 C ATOM 358 O THR A 28 -9.328 -6.057 -3.606 1.00 0.00 O ATOM 359 CB THR A 28 -10.446 -8.671 -5.081 1.00 0.00 C ATOM 360 OG1 THR A 28 -10.921 -10.019 -4.971 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.956 -8.419 -6.499 1.00 0.00 C ATOM 0 H THR A 28 -9.221 -9.368 -2.188 1.00 0.00 H new ATOM 0 HA THR A 28 -8.504 -9.116 -4.245 1.00 0.00 H new ATOM 0 HB THR A 28 -11.260 -7.978 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.636 -10.168 -5.625 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.768 -8.603 -7.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.623 -7.385 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.125 -9.089 -6.721 1.00 0.00 H new ATOM 369 N PHE A 29 -7.777 -6.832 -5.042 1.00 0.00 N ATOM 370 CA PHE A 29 -7.184 -5.522 -5.294 1.00 0.00 C ATOM 371 C PHE A 29 -7.888 -4.825 -6.455 1.00 0.00 C ATOM 372 O PHE A 29 -8.861 -5.342 -7.004 1.00 0.00 O ATOM 373 CB PHE A 29 -5.694 -5.669 -5.615 1.00 0.00 C ATOM 374 CG PHE A 29 -4.799 -5.720 -4.407 1.00 0.00 C ATOM 375 CD1 PHE A 29 -5.152 -6.455 -3.284 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.592 -5.040 -4.403 1.00 0.00 C ATOM 377 CE1 PHE A 29 -4.317 -6.509 -2.185 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.755 -5.089 -3.306 1.00 0.00 C ATOM 379 CZ PHE A 29 -3.117 -5.826 -2.196 1.00 0.00 C ATOM 0 H PHE A 29 -7.335 -7.597 -5.551 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.303 -4.917 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.549 -6.578 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.387 -4.834 -6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.090 -6.991 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.302 -4.464 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.603 -7.085 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.818 -4.552 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.463 -5.868 -1.338 1.00 0.00 H new ATOM 389 N SER A 30 -7.381 -3.649 -6.827 1.00 0.00 N ATOM 390 CA SER A 30 -7.945 -2.872 -7.931 1.00 0.00 C ATOM 391 C SER A 30 -9.408 -2.511 -7.676 1.00 0.00 C ATOM 392 O SER A 30 -10.075 -1.944 -8.540 1.00 0.00 O ATOM 393 CB SER A 30 -7.822 -3.646 -9.242 1.00 0.00 C ATOM 394 OG SER A 30 -6.522 -3.516 -9.792 1.00 0.00 O ATOM 0 H SER A 30 -6.577 -3.212 -6.377 1.00 0.00 H new ATOM 0 HA SER A 30 -7.377 -1.945 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.043 -4.699 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.560 -3.279 -9.955 1.00 0.00 H new ATOM 0 HG SER A 30 -6.590 -3.258 -10.735 1.00 0.00 H new ATOM 400 N SER A 31 -9.896 -2.838 -6.485 1.00 0.00 N ATOM 401 CA SER A 31 -11.275 -2.545 -6.114 1.00 0.00 C ATOM 402 C SER A 31 -11.315 -1.776 -4.799 1.00 0.00 C ATOM 403 O SER A 31 -12.278 -1.069 -4.506 1.00 0.00 O ATOM 404 CB SER A 31 -12.079 -3.840 -5.990 1.00 0.00 C ATOM 405 OG SER A 31 -11.766 -4.737 -7.041 1.00 0.00 O ATOM 0 H SER A 31 -9.356 -3.307 -5.758 1.00 0.00 H new ATOM 0 HA SER A 31 -11.721 -1.930 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.869 -4.312 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.145 -3.613 -6.007 1.00 0.00 H new ATOM 0 HG SER A 31 -10.841 -5.046 -6.943 1.00 0.00 H new ATOM 411 N TYR A 32 -10.251 -1.919 -4.018 1.00 0.00 N ATOM 412 CA TYR A 32 -10.139 -1.243 -2.733 1.00 0.00 C ATOM 413 C TYR A 32 -8.962 -0.279 -2.741 1.00 0.00 C ATOM 414 O TYR A 32 -8.261 -0.146 -3.744 1.00 0.00 O ATOM 415 CB TYR A 32 -9.942 -2.266 -1.614 1.00 0.00 C ATOM 416 CG TYR A 32 -11.225 -2.747 -0.982 1.00 0.00 C ATOM 417 CD1 TYR A 32 -11.932 -3.811 -1.527 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.726 -2.144 0.165 1.00 0.00 C ATOM 419 CE1 TYR A 32 -13.103 -4.261 -0.949 1.00 0.00 C ATOM 420 CE2 TYR A 32 -12.895 -2.588 0.750 1.00 0.00 C ATOM 421 CZ TYR A 32 -13.580 -3.646 0.190 1.00 0.00 C ATOM 422 OH TYR A 32 -14.746 -4.091 0.770 1.00 0.00 O ATOM 0 H TYR A 32 -9.448 -2.502 -4.255 1.00 0.00 H new ATOM 0 HA TYR A 32 -11.060 -0.686 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.403 -3.125 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.312 -1.825 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.560 -4.295 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.193 -1.315 0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.642 -5.089 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.271 -2.109 1.642 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.943 -3.552 1.564 1.00 0.00 H new ATOM 432 N HIS A 33 -8.734 0.373 -1.609 1.00 0.00 N ATOM 433 CA HIS A 33 -7.624 1.303 -1.475 1.00 0.00 C ATOM 434 C HIS A 33 -6.415 0.570 -0.908 1.00 0.00 C ATOM 435 O HIS A 33 -6.557 -0.275 -0.028 1.00 0.00 O ATOM 436 CB HIS A 33 -8.010 2.473 -0.570 1.00 0.00 C ATOM 437 CG HIS A 33 -9.251 3.183 -1.013 1.00 0.00 C ATOM 438 ND1 HIS A 33 -10.461 3.064 -0.363 1.00 0.00 N ATOM 439 CD2 HIS A 33 -9.466 4.023 -2.054 1.00 0.00 C ATOM 440 CE1 HIS A 33 -11.366 3.800 -0.984 1.00 0.00 C ATOM 441 NE2 HIS A 33 -10.787 4.392 -2.011 1.00 0.00 N ATOM 0 H HIS A 33 -9.305 0.274 -0.769 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.374 1.703 -2.457 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.154 2.105 0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.185 3.185 -0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.735 4.342 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.403 3.900 -0.699 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.247 5.023 -2.667 1.00 0.00 H new ATOM 450 N MET A 34 -5.232 0.873 -1.424 1.00 0.00 N ATOM 451 CA MET A 34 -4.019 0.210 -0.960 1.00 0.00 C ATOM 452 C MET A 34 -2.870 1.195 -0.813 1.00 0.00 C ATOM 453 O MET A 34 -2.886 2.277 -1.398 1.00 0.00 O ATOM 454 CB MET A 34 -3.637 -0.910 -1.925 1.00 0.00 C ATOM 455 CG MET A 34 -4.574 -2.106 -1.855 1.00 0.00 C ATOM 456 SD MET A 34 -4.690 -2.822 -0.202 1.00 0.00 S ATOM 457 CE MET A 34 -3.007 -3.370 0.073 1.00 0.00 C ATOM 0 H MET A 34 -5.085 1.567 -2.157 1.00 0.00 H new ATOM 0 HA MET A 34 -4.219 -0.215 0.023 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.633 -0.519 -2.942 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.621 -1.239 -1.706 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.568 -1.801 -2.182 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.230 -2.870 -2.552 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.000 -4.162 0.822 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.591 -3.750 -0.860 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.404 -2.532 0.424 1.00 0.00 H new ATOM 467 N ALA A 35 -1.874 0.812 -0.020 1.00 0.00 N ATOM 468 CA ALA A 35 -0.716 1.662 0.213 1.00 0.00 C ATOM 469 C ALA A 35 0.429 0.877 0.842 1.00 0.00 C ATOM 470 O ALA A 35 0.216 -0.150 1.487 1.00 0.00 O ATOM 471 CB ALA A 35 -1.101 2.833 1.102 1.00 0.00 C ATOM 0 H ALA A 35 -1.847 -0.082 0.471 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.373 2.040 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.228 3.464 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.882 3.417 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.469 2.459 2.057 1.00 0.00 H new ATOM 477 N TRP A 36 1.646 1.375 0.651 1.00 0.00 N ATOM 478 CA TRP A 36 2.831 0.733 1.199 1.00 0.00 C ATOM 479 C TRP A 36 3.374 1.526 2.376 1.00 0.00 C ATOM 480 O TRP A 36 3.334 2.761 2.377 1.00 0.00 O ATOM 481 CB TRP A 36 3.902 0.576 0.117 1.00 0.00 C ATOM 482 CG TRP A 36 3.706 -0.659 -0.707 1.00 0.00 C ATOM 483 CD1 TRP A 36 2.857 -0.798 -1.763 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.351 -1.930 -0.539 1.00 0.00 C ATOM 485 NE1 TRP A 36 2.926 -2.073 -2.264 1.00 0.00 N ATOM 486 CE2 TRP A 36 3.841 -2.787 -1.534 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.309 -2.428 0.349 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.256 -4.110 -1.663 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.720 -3.744 0.220 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.194 -4.570 -0.780 1.00 0.00 C ATOM 0 H TRP A 36 1.836 2.224 0.119 1.00 0.00 H new ATOM 0 HA TRP A 36 2.551 -0.259 1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.887 1.450 -0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.886 0.544 0.585 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.221 -0.016 -2.150 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.385 -2.431 -3.051 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.722 -1.797 1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.852 -4.750 -2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.458 -4.139 0.902 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.536 -5.592 -0.856 1.00 0.00 H new ATOM 501 N VAL A 37 3.869 0.800 3.377 1.00 0.00 N ATOM 502 CA VAL A 37 4.422 1.406 4.579 1.00 0.00 C ATOM 503 C VAL A 37 5.831 0.886 4.853 1.00 0.00 C ATOM 504 O VAL A 37 6.259 -0.114 4.277 1.00 0.00 O ATOM 505 CB VAL A 37 3.542 1.127 5.815 1.00 0.00 C ATOM 506 CG1 VAL A 37 2.207 1.845 5.705 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.331 -0.367 6.000 1.00 0.00 C ATOM 0 H VAL A 37 3.896 -0.220 3.375 1.00 0.00 H new ATOM 0 HA VAL A 37 4.454 2.481 4.402 1.00 0.00 H new ATOM 0 HB VAL A 37 4.063 1.511 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.605 1.632 6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.377 2.919 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.680 1.499 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.708 -0.541 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.839 -0.777 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.295 -0.856 6.137 1.00 0.00 H new ATOM 517 N ARG A 38 6.541 1.573 5.740 1.00 0.00 N ATOM 518 CA ARG A 38 7.899 1.195 6.105 1.00 0.00 C ATOM 519 C ARG A 38 8.136 1.455 7.589 1.00 0.00 C ATOM 520 O ARG A 38 7.520 2.345 8.179 1.00 0.00 O ATOM 521 CB ARG A 38 8.909 1.973 5.257 1.00 0.00 C ATOM 522 CG ARG A 38 10.322 1.969 5.818 1.00 0.00 C ATOM 523 CD ARG A 38 11.112 3.176 5.343 1.00 0.00 C ATOM 524 NE ARG A 38 10.542 4.428 5.829 1.00 0.00 N ATOM 525 CZ ARG A 38 11.164 5.602 5.758 1.00 0.00 C ATOM 526 NH1 ARG A 38 12.364 5.687 5.200 1.00 0.00 N ATOM 527 NH2 ARG A 38 10.583 6.692 6.239 1.00 0.00 N ATOM 0 H ARG A 38 6.194 2.402 6.223 1.00 0.00 H new ATOM 0 HA ARG A 38 8.032 0.130 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.927 1.550 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.570 3.005 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.282 1.964 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.833 1.056 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.144 3.091 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.136 3.188 4.253 1.00 0.00 H new ATOM 0 HE ARG A 38 9.612 4.402 6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.812 4.851 4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.839 6.588 5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.658 6.631 6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.061 7.591 6.184 1.00 0.00 H new ATOM 541 N GLN A 39 9.026 0.673 8.189 1.00 0.00 N ATOM 542 CA GLN A 39 9.338 0.820 9.602 1.00 0.00 C ATOM 543 C GLN A 39 10.845 0.801 9.830 1.00 0.00 C ATOM 544 O GLN A 39 11.479 -0.255 9.783 1.00 0.00 O ATOM 545 CB GLN A 39 8.674 -0.298 10.404 1.00 0.00 C ATOM 546 CG GLN A 39 8.144 0.150 11.755 1.00 0.00 C ATOM 547 CD GLN A 39 9.022 -0.303 12.906 1.00 0.00 C ATOM 548 OE1 GLN A 39 8.687 -1.244 13.624 1.00 0.00 O ATOM 549 NE2 GLN A 39 10.154 0.367 13.086 1.00 0.00 N ATOM 0 H GLN A 39 9.543 -0.069 7.717 1.00 0.00 H new ATOM 0 HA GLN A 39 8.952 1.782 9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.852 -0.712 9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.395 -1.102 10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.066 1.237 11.768 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.137 -0.243 11.895 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.392 1.141 12.466 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.785 0.107 13.844 1.00 0.00 H new ATOM 558 N ALA A 40 11.408 1.979 10.079 1.00 0.00 N ATOM 559 CA ALA A 40 12.840 2.112 10.317 1.00 0.00 C ATOM 560 C ALA A 40 13.206 1.667 11.732 1.00 0.00 C ATOM 561 O ALA A 40 12.397 1.786 12.651 1.00 0.00 O ATOM 562 CB ALA A 40 13.283 3.549 10.083 1.00 0.00 C ATOM 0 H ALA A 40 10.892 2.858 10.121 1.00 0.00 H new ATOM 0 HA ALA A 40 13.362 1.463 9.613 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.354 3.634 10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.066 3.834 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.747 4.210 10.763 1.00 0.00 H new ATOM 618 N LEU A 45 5.917 2.543 12.370 1.00 0.00 N ATOM 619 CA LEU A 45 5.544 2.373 10.963 1.00 0.00 C ATOM 620 C LEU A 45 5.352 3.730 10.294 1.00 0.00 C ATOM 621 O LEU A 45 5.242 4.756 10.967 1.00 0.00 O ATOM 622 CB LEU A 45 4.255 1.553 10.812 1.00 0.00 C ATOM 623 CG LEU A 45 4.122 0.769 9.502 1.00 0.00 C ATOM 624 CD1 LEU A 45 5.444 0.122 9.116 1.00 0.00 C ATOM 625 CD2 LEU A 45 3.036 -0.286 9.630 1.00 0.00 C ATOM 0 HA LEU A 45 6.358 1.833 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.192 0.851 11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.403 2.228 10.899 1.00 0.00 H new ATOM 0 HG LEU A 45 3.845 1.469 8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.321 -0.428 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.202 0.894 8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.757 -0.564 9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.951 -0.836 8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.292 -0.976 10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.085 0.196 9.855 1.00 0.00 H new ATOM 637 N GLU A 46 5.303 3.724 8.968 1.00 0.00 N ATOM 638 CA GLU A 46 5.113 4.950 8.202 1.00 0.00 C ATOM 639 C GLU A 46 4.547 4.635 6.826 1.00 0.00 C ATOM 640 O GLU A 46 5.072 3.790 6.112 1.00 0.00 O ATOM 641 CB GLU A 46 6.439 5.706 8.048 1.00 0.00 C ATOM 642 CG GLU A 46 6.655 6.293 6.658 1.00 0.00 C ATOM 643 CD GLU A 46 7.330 7.652 6.692 1.00 0.00 C ATOM 644 OE1 GLU A 46 7.413 8.247 7.786 1.00 0.00 O ATOM 645 OE2 GLU A 46 7.774 8.120 5.622 1.00 0.00 O ATOM 0 H GLU A 46 5.392 2.882 8.399 1.00 0.00 H new ATOM 0 HA GLU A 46 4.408 5.579 8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.475 6.511 8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.261 5.029 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.262 5.606 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.693 6.383 6.153 1.00 0.00 H new ATOM 652 N TRP A 47 3.496 5.339 6.441 1.00 0.00 N ATOM 653 CA TRP A 47 2.906 5.132 5.131 1.00 0.00 C ATOM 654 C TRP A 47 3.720 5.893 4.090 1.00 0.00 C ATOM 655 O TRP A 47 3.720 7.124 4.070 1.00 0.00 O ATOM 656 CB TRP A 47 1.442 5.584 5.111 1.00 0.00 C ATOM 657 CG TRP A 47 0.996 6.066 3.765 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.692 5.299 2.677 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.827 7.428 3.360 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.345 6.103 1.622 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.417 7.414 2.015 1.00 0.00 C ATOM 662 CE3 TRP A 47 0.981 8.658 4.006 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.161 8.583 1.305 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.726 9.818 3.299 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.320 9.773 1.961 1.00 0.00 C ATOM 0 H TRP A 47 3.038 6.051 7.010 1.00 0.00 H new ATOM 0 HA TRP A 47 2.923 4.068 4.896 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.807 4.754 5.422 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.304 6.382 5.841 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.721 4.220 2.651 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.076 5.778 0.693 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.294 8.701 5.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.152 8.552 0.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.842 10.774 3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.128 10.697 1.435 1.00 0.00 H new ATOM 676 N VAL A 48 4.431 5.160 3.241 1.00 0.00 N ATOM 677 CA VAL A 48 5.254 5.791 2.221 1.00 0.00 C ATOM 678 C VAL A 48 4.426 6.245 1.033 1.00 0.00 C ATOM 679 O VAL A 48 4.399 7.427 0.694 1.00 0.00 O ATOM 680 CB VAL A 48 6.378 4.867 1.706 1.00 0.00 C ATOM 681 CG1 VAL A 48 7.556 4.881 2.661 1.00 0.00 C ATOM 682 CG2 VAL A 48 5.893 3.446 1.492 1.00 0.00 C ATOM 0 H VAL A 48 4.454 4.140 3.239 1.00 0.00 H new ATOM 0 HA VAL A 48 5.705 6.654 2.710 1.00 0.00 H new ATOM 0 HB VAL A 48 6.697 5.254 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.339 4.224 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.943 5.896 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.233 4.533 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.717 2.831 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.526 3.041 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.088 3.443 0.758 1.00 0.00 H new ATOM 692 N SER A 49 3.773 5.300 0.382 1.00 0.00 N ATOM 693 CA SER A 49 2.976 5.625 -0.799 1.00 0.00 C ATOM 694 C SER A 49 1.562 5.053 -0.743 1.00 0.00 C ATOM 695 O SER A 49 1.317 4.026 -0.115 1.00 0.00 O ATOM 696 CB SER A 49 3.689 5.116 -2.047 1.00 0.00 C ATOM 697 OG SER A 49 5.092 5.079 -1.854 1.00 0.00 O ATOM 0 H SER A 49 3.774 4.314 0.641 1.00 0.00 H new ATOM 0 HA SER A 49 2.875 6.710 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.327 4.118 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.452 5.761 -2.893 1.00 0.00 H new ATOM 0 HG SER A 49 5.498 5.876 -2.254 1.00 0.00 H new ATOM 703 N THR A 50 0.643 5.733 -1.429 1.00 0.00 N ATOM 704 CA THR A 50 -0.755 5.315 -1.496 1.00 0.00 C ATOM 705 C THR A 50 -1.222 5.280 -2.949 1.00 0.00 C ATOM 706 O THR A 50 -0.716 6.026 -3.787 1.00 0.00 O ATOM 707 CB THR A 50 -1.671 6.260 -0.674 1.00 0.00 C ATOM 708 OG1 THR A 50 -2.005 5.651 0.578 1.00 0.00 O ATOM 709 CG2 THR A 50 -2.957 6.602 -1.418 1.00 0.00 C ATOM 0 H THR A 50 0.847 6.585 -1.951 1.00 0.00 H new ATOM 0 HA THR A 50 -0.825 4.316 -1.065 1.00 0.00 H new ATOM 0 HB THR A 50 -1.116 7.184 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.472 6.058 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.567 7.265 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.713 7.098 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.512 5.687 -1.625 1.00 0.00 H new ATOM 717 N ILE A 51 -2.186 4.416 -3.242 1.00 0.00 N ATOM 718 CA ILE A 51 -2.713 4.297 -4.594 1.00 0.00 C ATOM 719 C ILE A 51 -4.240 4.300 -4.591 1.00 0.00 C ATOM 720 O ILE A 51 -4.872 3.680 -3.734 1.00 0.00 O ATOM 721 CB ILE A 51 -2.192 3.021 -5.287 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.544 3.040 -6.774 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.749 1.775 -4.612 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.394 2.633 -7.667 1.00 0.00 C ATOM 0 H ILE A 51 -2.617 3.789 -2.563 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.363 5.164 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.106 2.996 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.386 2.370 -6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.872 4.042 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.369 0.887 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.440 1.759 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.837 1.786 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.712 2.668 -8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.559 3.318 -7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.081 1.619 -7.417 1.00 0.00 H new ATOM 736 N ASN A 52 -4.828 5.009 -5.550 1.00 0.00 N ATOM 737 CA ASN A 52 -6.280 5.099 -5.652 1.00 0.00 C ATOM 738 C ASN A 52 -6.760 4.687 -7.043 1.00 0.00 C ATOM 739 O ASN A 52 -6.516 5.389 -8.024 1.00 0.00 O ATOM 740 CB ASN A 52 -6.743 6.526 -5.342 1.00 0.00 C ATOM 741 CG ASN A 52 -8.235 6.707 -5.540 1.00 0.00 C ATOM 742 OD1 ASN A 52 -9.036 5.878 -5.106 1.00 0.00 O ATOM 743 ND2 ASN A 52 -8.616 7.796 -6.196 1.00 0.00 N ATOM 0 H ASN A 52 -4.322 5.529 -6.267 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.713 4.414 -4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.484 6.773 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.207 7.226 -5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.607 7.973 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.917 8.456 -6.538 1.00 0.00 H new ATOM 750 N PRO A 53 -7.454 3.537 -7.147 1.00 0.00 N ATOM 751 CA PRO A 53 -7.968 3.037 -8.429 1.00 0.00 C ATOM 752 C PRO A 53 -9.095 3.905 -8.977 1.00 0.00 C ATOM 753 O PRO A 53 -9.593 4.798 -8.292 1.00 0.00 O ATOM 754 CB PRO A 53 -8.490 1.640 -8.084 1.00 0.00 C ATOM 755 CG PRO A 53 -8.809 1.704 -6.632 1.00 0.00 C ATOM 756 CD PRO A 53 -7.792 2.634 -6.030 1.00 0.00 C ATOM 0 HA PRO A 53 -7.202 3.040 -9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.373 1.391 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.742 0.875 -8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.821 2.074 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.754 0.716 -6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.200 3.181 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.916 2.094 -5.670 1.00 0.00 H new ATOM 764 N GLY A 54 -9.494 3.635 -10.217 1.00 0.00 N ATOM 765 CA GLY A 54 -10.562 4.398 -10.836 1.00 0.00 C ATOM 766 C GLY A 54 -10.079 5.717 -11.406 1.00 0.00 C ATOM 767 O GLY A 54 -10.876 6.513 -11.906 1.00 0.00 O ATOM 0 H GLY A 54 -9.096 2.901 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.013 3.806 -11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.342 4.588 -10.099 1.00 0.00 H new ATOM 771 N ASP A 55 -8.773 5.950 -11.335 1.00 0.00 N ATOM 772 CA ASP A 55 -8.189 7.184 -11.850 1.00 0.00 C ATOM 773 C ASP A 55 -6.688 7.032 -12.071 1.00 0.00 C ATOM 774 O ASP A 55 -6.204 7.132 -13.199 1.00 0.00 O ATOM 775 CB ASP A 55 -8.462 8.344 -10.890 1.00 0.00 C ATOM 776 CG ASP A 55 -8.651 9.662 -11.615 1.00 0.00 C ATOM 777 OD1 ASP A 55 -9.304 9.667 -12.680 1.00 0.00 O ATOM 778 OD2 ASP A 55 -8.147 10.691 -11.117 1.00 0.00 O ATOM 0 H ASP A 55 -8.099 5.302 -10.927 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.656 7.400 -12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.354 8.124 -10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.633 8.434 -10.188 1.00 0.00 H new ATOM 783 N GLY A 56 -5.952 6.791 -10.989 1.00 0.00 N ATOM 784 CA GLY A 56 -4.515 6.633 -11.090 1.00 0.00 C ATOM 785 C GLY A 56 -3.766 7.616 -10.213 1.00 0.00 C ATOM 786 O GLY A 56 -2.539 7.568 -10.121 1.00 0.00 O ATOM 0 H GLY A 56 -6.327 6.703 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.243 5.616 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.209 6.768 -12.127 1.00 0.00 H new ATOM 790 N SER A 57 -4.509 8.509 -9.563 1.00 0.00 N ATOM 791 CA SER A 57 -3.912 9.507 -8.684 1.00 0.00 C ATOM 792 C SER A 57 -3.108 8.832 -7.580 1.00 0.00 C ATOM 793 O SER A 57 -3.571 7.877 -6.957 1.00 0.00 O ATOM 794 CB SER A 57 -4.997 10.397 -8.074 1.00 0.00 C ATOM 795 OG SER A 57 -5.399 11.407 -8.983 1.00 0.00 O ATOM 0 H SER A 57 -5.526 8.560 -9.630 1.00 0.00 H new ATOM 0 HA SER A 57 -3.240 10.128 -9.276 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.858 9.788 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.623 10.855 -7.158 1.00 0.00 H new ATOM 0 HG SER A 57 -6.094 11.961 -8.570 1.00 0.00 H new ATOM 801 N THR A 58 -1.896 9.327 -7.348 1.00 0.00 N ATOM 802 CA THR A 58 -1.028 8.761 -6.324 1.00 0.00 C ATOM 803 C THR A 58 -0.590 9.818 -5.316 1.00 0.00 C ATOM 804 O THR A 58 -0.222 10.932 -5.688 1.00 0.00 O ATOM 805 CB THR A 58 0.221 8.112 -6.947 1.00 0.00 C ATOM 806 OG1 THR A 58 0.216 8.299 -8.368 1.00 0.00 O ATOM 807 CG2 THR A 58 0.273 6.626 -6.627 1.00 0.00 C ATOM 0 H THR A 58 -1.495 10.116 -7.854 1.00 0.00 H new ATOM 0 HA THR A 58 -1.610 7.997 -5.807 1.00 0.00 H new ATOM 0 HB THR A 58 1.103 8.592 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.015 7.884 -8.755 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.164 6.188 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.307 6.487 -5.546 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.614 6.136 -7.028 1.00 0.00 H new ATOM 815 N TYR A 59 -0.631 9.454 -4.038 1.00 0.00 N ATOM 816 CA TYR A 59 -0.238 10.362 -2.967 1.00 0.00 C ATOM 817 C TYR A 59 0.832 9.721 -2.091 1.00 0.00 C ATOM 818 O TYR A 59 0.719 8.556 -1.713 1.00 0.00 O ATOM 819 CB TYR A 59 -1.452 10.742 -2.116 1.00 0.00 C ATOM 820 CG TYR A 59 -2.716 10.954 -2.920 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.534 9.882 -3.259 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.089 12.224 -3.343 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.688 10.071 -3.996 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.243 12.421 -4.080 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.038 11.342 -4.404 1.00 0.00 C ATOM 826 OH TYR A 59 -6.187 11.534 -5.138 1.00 0.00 O ATOM 0 H TYR A 59 -0.933 8.534 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 59 0.172 11.266 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.628 9.958 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.226 11.654 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.263 8.886 -2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.468 13.071 -3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.313 9.228 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.520 13.415 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.288 12.487 -5.344 1.00 0.00 H new ATOM 836 N TYR A 60 1.874 10.484 -1.778 1.00 0.00 N ATOM 837 CA TYR A 60 2.967 9.983 -0.953 1.00 0.00 C ATOM 838 C TYR A 60 3.065 10.760 0.356 1.00 0.00 C ATOM 839 O TYR A 60 2.358 11.746 0.559 1.00 0.00 O ATOM 840 CB TYR A 60 4.294 10.081 -1.711 1.00 0.00 C ATOM 841 CG TYR A 60 4.448 9.057 -2.816 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.500 8.944 -3.826 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.547 8.209 -2.852 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.640 8.014 -4.837 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.695 7.276 -3.860 1.00 0.00 C ATOM 846 CZ TYR A 60 4.740 7.183 -4.850 1.00 0.00 C ATOM 847 OH TYR A 60 4.884 6.255 -5.856 1.00 0.00 O ATOM 0 H TYR A 60 1.985 11.451 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 60 2.760 8.938 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.383 11.079 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.115 9.963 -1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.638 9.595 -3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.298 8.280 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.892 7.938 -5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.555 6.623 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 60 5.624 6.520 -6.442 1.00 0.00 H new ATOM 857 N ALA A 61 3.954 10.308 1.235 1.00 0.00 N ATOM 858 CA ALA A 61 4.158 10.959 2.523 1.00 0.00 C ATOM 859 C ALA A 61 4.990 12.228 2.367 1.00 0.00 C ATOM 860 O ALA A 61 5.452 12.799 3.355 1.00 0.00 O ATOM 861 CB ALA A 61 4.831 10.001 3.498 1.00 0.00 C ATOM 0 H ALA A 61 4.545 9.492 1.078 1.00 0.00 H new ATOM 0 HA ALA A 61 3.183 11.239 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.977 10.500 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.201 9.123 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.797 9.694 3.098 1.00 0.00 H new ATOM 867 N ASP A 62 5.172 12.656 1.113 1.00 0.00 N ATOM 868 CA ASP A 62 5.947 13.856 0.790 1.00 0.00 C ATOM 869 C ASP A 62 7.447 13.596 0.900 1.00 0.00 C ATOM 870 O ASP A 62 8.225 14.031 0.050 1.00 0.00 O ATOM 871 CB ASP A 62 5.549 15.028 1.692 1.00 0.00 C ATOM 872 CG ASP A 62 5.512 16.347 0.946 1.00 0.00 C ATOM 873 OD1 ASP A 62 6.583 16.970 0.787 1.00 0.00 O ATOM 874 OD2 ASP A 62 4.411 16.758 0.522 1.00 0.00 O ATOM 0 H ASP A 62 4.787 12.181 0.297 1.00 0.00 H new ATOM 0 HA ASP A 62 5.720 14.119 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.569 14.832 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.255 15.102 2.519 1.00 0.00 H new ATOM 879 N SER A 63 7.851 12.885 1.949 1.00 0.00 N ATOM 880 CA SER A 63 9.257 12.568 2.163 1.00 0.00 C ATOM 881 C SER A 63 9.623 11.250 1.490 1.00 0.00 C ATOM 882 O SER A 63 10.652 10.648 1.798 1.00 0.00 O ATOM 883 CB SER A 63 9.564 12.491 3.659 1.00 0.00 C ATOM 884 OG SER A 63 10.662 13.321 4.000 1.00 0.00 O ATOM 0 H SER A 63 7.223 12.518 2.664 1.00 0.00 H new ATOM 0 HA SER A 63 9.855 13.363 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.686 12.793 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.784 11.460 3.935 1.00 0.00 H new ATOM 0 HG SER A 63 10.836 13.254 4.962 1.00 0.00 H new ATOM 890 N VAL A 64 8.771 10.806 0.570 1.00 0.00 N ATOM 891 CA VAL A 64 9.003 9.558 -0.146 1.00 0.00 C ATOM 892 C VAL A 64 8.641 9.689 -1.622 1.00 0.00 C ATOM 893 O VAL A 64 8.880 8.772 -2.410 1.00 0.00 O ATOM 894 CB VAL A 64 8.204 8.396 0.471 1.00 0.00 C ATOM 895 CG1 VAL A 64 8.959 7.789 1.642 1.00 0.00 C ATOM 896 CG2 VAL A 64 6.830 8.868 0.905 1.00 0.00 C ATOM 0 H VAL A 64 7.915 11.292 0.304 1.00 0.00 H new ATOM 0 HA VAL A 64 10.067 9.340 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 64 8.077 7.624 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.378 6.969 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.922 7.411 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.120 8.550 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.279 8.034 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.935 9.659 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.287 9.251 0.041 1.00 0.00 H new ATOM 906 N LYS A 65 8.076 10.835 -1.995 1.00 0.00 N ATOM 907 CA LYS A 65 7.704 11.076 -3.385 1.00 0.00 C ATOM 908 C LYS A 65 8.961 11.151 -4.242 1.00 0.00 C ATOM 909 O LYS A 65 9.964 11.735 -3.832 1.00 0.00 O ATOM 910 CB LYS A 65 6.893 12.367 -3.520 1.00 0.00 C ATOM 911 CG LYS A 65 6.139 12.473 -4.837 1.00 0.00 C ATOM 912 CD LYS A 65 4.692 12.030 -4.692 1.00 0.00 C ATOM 913 CE LYS A 65 3.730 13.165 -5.001 1.00 0.00 C ATOM 914 NZ LYS A 65 3.516 13.332 -6.465 1.00 0.00 N ATOM 0 H LYS A 65 7.867 11.605 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 65 7.080 10.251 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.181 12.428 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.564 13.220 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.171 13.503 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.634 11.860 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.497 11.193 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.520 11.671 -3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.774 12.972 -4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.119 14.094 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.854 14.116 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.424 13.541 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.121 12.455 -6.860 1.00 0.00 H new ATOM 928 N GLY A 66 8.918 10.535 -5.417 1.00 0.00 N ATOM 929 CA GLY A 66 10.081 10.530 -6.283 1.00 0.00 C ATOM 930 C GLY A 66 11.148 9.594 -5.756 1.00 0.00 C ATOM 931 O GLY A 66 12.208 9.432 -6.362 1.00 0.00 O ATOM 0 H GLY A 66 8.104 10.042 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.789 10.225 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.485 11.540 -6.361 1.00 0.00 H new ATOM 935 N ARG A 67 10.852 8.973 -4.618 1.00 0.00 N ATOM 936 CA ARG A 67 11.765 8.035 -3.980 1.00 0.00 C ATOM 937 C ARG A 67 11.368 6.609 -4.311 1.00 0.00 C ATOM 938 O ARG A 67 12.095 5.883 -4.990 1.00 0.00 O ATOM 939 CB ARG A 67 11.739 8.223 -2.463 1.00 0.00 C ATOM 940 CG ARG A 67 13.020 7.796 -1.775 1.00 0.00 C ATOM 941 CD ARG A 67 14.118 8.819 -1.987 1.00 0.00 C ATOM 942 NE ARG A 67 13.803 10.094 -1.345 1.00 0.00 N ATOM 943 CZ ARG A 67 13.996 11.279 -1.918 1.00 0.00 C ATOM 944 NH1 ARG A 67 14.514 11.355 -3.138 1.00 0.00 N ATOM 945 NH2 ARG A 67 13.671 12.391 -1.273 1.00 0.00 N ATOM 0 H ARG A 67 9.975 9.106 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 67 12.771 8.227 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.549 9.273 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.907 7.653 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.839 7.668 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.340 6.829 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.056 8.433 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.267 8.977 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 67 13.413 10.074 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.765 10.503 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.660 12.265 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.272 12.339 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.820 13.299 -1.714 1.00 0.00 H new ATOM 959 N PHE A 68 10.199 6.221 -3.819 1.00 0.00 N ATOM 960 CA PHE A 68 9.676 4.884 -4.045 1.00 0.00 C ATOM 961 C PHE A 68 8.559 4.920 -5.083 1.00 0.00 C ATOM 962 O PHE A 68 7.974 5.972 -5.339 1.00 0.00 O ATOM 963 CB PHE A 68 9.152 4.301 -2.729 1.00 0.00 C ATOM 964 CG PHE A 68 10.206 4.094 -1.669 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.560 4.149 -1.977 1.00 0.00 C ATOM 966 CD2 PHE A 68 9.835 3.843 -0.356 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.517 3.959 -0.999 1.00 0.00 C ATOM 968 CE2 PHE A 68 10.791 3.653 0.625 1.00 0.00 C ATOM 969 CZ PHE A 68 12.131 3.711 0.303 1.00 0.00 C ATOM 0 H PHE A 68 9.593 6.819 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 68 10.480 4.251 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.383 4.965 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.671 3.345 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.868 4.343 -2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.788 3.795 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.566 4.004 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.488 3.459 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.878 3.562 1.069 1.00 0.00 H new ATOM 979 N THR A 69 8.268 3.770 -5.678 1.00 0.00 N ATOM 980 CA THR A 69 7.217 3.679 -6.685 1.00 0.00 C ATOM 981 C THR A 69 6.155 2.673 -6.278 1.00 0.00 C ATOM 982 O THR A 69 6.416 1.479 -6.196 1.00 0.00 O ATOM 983 CB THR A 69 7.781 3.281 -8.065 1.00 0.00 C ATOM 984 OG1 THR A 69 8.568 4.352 -8.600 1.00 0.00 O ATOM 985 CG2 THR A 69 6.657 2.937 -9.037 1.00 0.00 C ATOM 0 H THR A 69 8.743 2.889 -5.482 1.00 0.00 H new ATOM 0 HA THR A 69 6.770 4.670 -6.759 1.00 0.00 H new ATOM 0 HB THR A 69 8.407 2.398 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.924 4.091 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.082 2.660 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.078 2.102 -8.643 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.007 3.803 -9.162 1.00 0.00 H new ATOM 993 N ILE A 70 4.957 3.170 -6.028 1.00 0.00 N ATOM 994 CA ILE A 70 3.849 2.323 -5.628 1.00 0.00 C ATOM 995 C ILE A 70 2.903 2.080 -6.804 1.00 0.00 C ATOM 996 O ILE A 70 2.363 3.016 -7.396 1.00 0.00 O ATOM 997 CB ILE A 70 3.077 2.957 -4.452 1.00 0.00 C ATOM 998 CG1 ILE A 70 2.096 1.943 -3.845 1.00 0.00 C ATOM 999 CG2 ILE A 70 2.371 4.235 -4.903 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.712 2.493 -3.575 1.00 0.00 C ATOM 0 H ILE A 70 4.726 4.161 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 70 4.256 1.365 -5.304 1.00 0.00 H new ATOM 0 HB ILE A 70 3.785 3.234 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.009 1.091 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.513 1.568 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.831 4.669 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.109 4.949 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.668 4.000 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.086 1.710 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.781 3.325 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.270 2.841 -4.509 1.00 0.00 H new ATOM 1012 N SER A 71 2.722 0.810 -7.148 1.00 0.00 N ATOM 1013 CA SER A 71 1.857 0.432 -8.257 1.00 0.00 C ATOM 1014 C SER A 71 1.408 -1.018 -8.119 1.00 0.00 C ATOM 1015 O SER A 71 2.049 -1.814 -7.437 1.00 0.00 O ATOM 1016 CB SER A 71 2.583 0.631 -9.590 1.00 0.00 C ATOM 1017 OG SER A 71 1.809 0.139 -10.672 1.00 0.00 O ATOM 0 H SER A 71 3.165 0.023 -6.673 1.00 0.00 H new ATOM 0 HA SER A 71 0.975 1.072 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.791 1.690 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.544 0.118 -9.564 1.00 0.00 H new ATOM 0 HG SER A 71 2.294 0.280 -11.512 1.00 0.00 H new ATOM 1023 N ARG A 72 0.301 -1.350 -8.770 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.241 -2.705 -8.718 1.00 0.00 C ATOM 1025 C ARG A 72 -0.825 -3.116 -10.066 1.00 0.00 C ATOM 1026 O ARG A 72 -0.895 -2.311 -10.996 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.317 -2.804 -7.635 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.227 -1.588 -7.565 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.114 -1.626 -6.332 1.00 0.00 C ATOM 1030 NE ARG A 72 -4.370 -0.911 -6.539 1.00 0.00 N ATOM 1031 CZ ARG A 72 -5.470 -1.128 -5.824 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -5.465 -2.028 -4.851 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -6.576 -0.444 -6.080 1.00 0.00 N ATOM 0 H ARG A 72 -0.241 -0.701 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 72 0.577 -3.384 -8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.924 -3.691 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.835 -2.942 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.623 -0.681 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.848 -1.545 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.326 -2.663 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.581 -1.186 -5.489 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.406 -0.205 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.616 -2.556 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.310 -2.192 -4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.585 0.251 -6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.418 -0.612 -5.530 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.242 -4.374 -10.162 1.00 0.00 N ATOM 1048 CA ASP A 73 -1.822 -4.898 -11.393 1.00 0.00 C ATOM 1049 C ASP A 73 -3.332 -5.059 -11.253 1.00 0.00 C ATOM 1050 O ASP A 73 -3.897 -4.816 -10.187 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.183 -6.241 -11.748 1.00 0.00 C ATOM 1052 CG ASP A 73 -0.570 -6.240 -13.135 1.00 0.00 C ATOM 1053 OD1 ASP A 73 0.363 -5.443 -13.371 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -1.024 -7.033 -13.985 1.00 0.00 O ATOM 0 H ASP A 73 -1.189 -5.051 -9.401 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.623 -4.187 -12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.414 -6.480 -11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.936 -7.026 -11.687 1.00 0.00 H new ATOM 1059 N ASN A 74 -3.981 -5.470 -12.339 1.00 0.00 N ATOM 1060 CA ASN A 74 -5.427 -5.662 -12.340 1.00 0.00 C ATOM 1061 C ASN A 74 -5.779 -7.145 -12.302 1.00 0.00 C ATOM 1062 O ASN A 74 -4.981 -7.993 -12.700 1.00 0.00 O ATOM 1063 CB ASN A 74 -6.050 -5.011 -13.575 1.00 0.00 C ATOM 1064 CG ASN A 74 -5.083 -4.094 -14.297 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -4.994 -2.904 -13.992 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -4.354 -4.645 -15.259 1.00 0.00 N ATOM 0 H ASN A 74 -3.528 -5.676 -13.229 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.831 -5.187 -11.446 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.389 -5.788 -14.260 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.931 -4.443 -13.277 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.686 -4.078 -15.781 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.462 -5.636 -15.477 1.00 0.00 H new ATOM 1073 N ALA A 75 -6.983 -7.448 -11.820 1.00 0.00 N ATOM 1074 CA ALA A 75 -7.454 -8.826 -11.726 1.00 0.00 C ATOM 1075 C ALA A 75 -6.519 -9.673 -10.868 1.00 0.00 C ATOM 1076 O ALA A 75 -6.405 -10.883 -11.067 1.00 0.00 O ATOM 1077 CB ALA A 75 -7.597 -9.434 -13.115 1.00 0.00 C ATOM 0 H ALA A 75 -7.652 -6.753 -11.487 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.432 -8.814 -11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.949 -10.462 -13.028 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.314 -8.853 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.630 -9.423 -13.618 1.00 0.00 H new ATOM 1083 N LYS A 76 -5.856 -9.032 -9.911 1.00 0.00 N ATOM 1084 CA LYS A 76 -4.935 -9.732 -9.023 1.00 0.00 C ATOM 1085 C LYS A 76 -4.710 -8.947 -7.735 1.00 0.00 C ATOM 1086 O LYS A 76 -4.543 -7.728 -7.760 1.00 0.00 O ATOM 1087 CB LYS A 76 -3.593 -9.968 -9.719 1.00 0.00 C ATOM 1088 CG LYS A 76 -3.077 -11.390 -9.576 1.00 0.00 C ATOM 1089 CD LYS A 76 -1.792 -11.598 -10.361 1.00 0.00 C ATOM 1090 CE LYS A 76 -1.403 -13.066 -10.414 1.00 0.00 C ATOM 1091 NZ LYS A 76 -2.173 -13.807 -11.451 1.00 0.00 N ATOM 0 H LYS A 76 -5.939 -8.031 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.384 -10.693 -8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.696 -9.732 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.854 -9.279 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.901 -11.610 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.836 -12.090 -9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.918 -11.217 -11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.987 -11.024 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.337 -13.152 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.574 -13.522 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.879 -14.804 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.189 -13.747 -11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.990 -13.388 -12.385 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.692 -9.660 -6.613 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.470 -9.039 -5.313 1.00 0.00 C ATOM 1107 C ASN A 77 -2.978 -8.939 -5.028 1.00 0.00 C ATOM 1108 O ASN A 77 -2.414 -9.790 -4.339 1.00 0.00 O ATOM 1109 CB ASN A 77 -5.155 -9.844 -4.206 1.00 0.00 C ATOM 1110 CG ASN A 77 -5.430 -11.280 -4.613 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -4.556 -11.968 -5.140 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -6.651 -11.739 -4.363 1.00 0.00 N ATOM 0 H ASN A 77 -4.829 -10.670 -6.579 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.900 -8.038 -5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.527 -9.837 -3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.094 -9.360 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.896 -12.698 -4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.344 -11.133 -3.924 1.00 0.00 H new ATOM 1119 N THR A 78 -2.334 -7.910 -5.571 1.00 0.00 N ATOM 1120 CA THR A 78 -0.902 -7.736 -5.372 1.00 0.00 C ATOM 1121 C THR A 78 -0.480 -6.271 -5.438 1.00 0.00 C ATOM 1122 O THR A 78 -0.984 -5.500 -6.254 1.00 0.00 O ATOM 1123 CB THR A 78 -0.102 -8.536 -6.417 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.992 -9.123 -7.374 1.00 0.00 O ATOM 1125 CG2 THR A 78 0.723 -9.627 -5.748 1.00 0.00 C ATOM 0 H THR A 78 -2.776 -7.193 -6.146 1.00 0.00 H new ATOM 0 HA THR A 78 -0.684 -8.110 -4.372 1.00 0.00 H new ATOM 0 HB THR A 78 0.575 -7.850 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.474 -9.628 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.279 -10.179 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.421 -9.175 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.060 -10.309 -5.216 1.00 0.00 H new ATOM 1133 N LEU A 79 0.470 -5.910 -4.578 1.00 0.00 N ATOM 1134 CA LEU A 79 1.003 -4.552 -4.523 1.00 0.00 C ATOM 1135 C LEU A 79 2.506 -4.587 -4.773 1.00 0.00 C ATOM 1136 O LEU A 79 3.207 -5.446 -4.242 1.00 0.00 O ATOM 1137 CB LEU A 79 0.712 -3.914 -3.160 1.00 0.00 C ATOM 1138 CG LEU A 79 -0.079 -2.600 -3.196 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.209 -2.004 -1.802 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.559 -1.593 -4.140 1.00 0.00 C ATOM 0 H LEU A 79 0.890 -6.548 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 79 0.520 -3.951 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.160 -4.632 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.660 -3.732 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.076 -2.832 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.774 -1.073 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.730 -2.708 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.783 -1.804 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.027 -0.674 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.574 -1.376 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.587 -2.007 -5.148 1.00 0.00 H new ATOM 1152 N TYR A 80 2.998 -3.667 -5.591 1.00 0.00 N ATOM 1153 CA TYR A 80 4.421 -3.624 -5.910 1.00 0.00 C ATOM 1154 C TYR A 80 5.018 -2.250 -5.643 1.00 0.00 C ATOM 1155 O TYR A 80 4.399 -1.226 -5.928 1.00 0.00 O ATOM 1156 CB TYR A 80 4.643 -4.000 -7.375 1.00 0.00 C ATOM 1157 CG TYR A 80 4.297 -5.434 -7.693 1.00 0.00 C ATOM 1158 CD1 TYR A 80 2.981 -5.818 -7.910 1.00 0.00 C ATOM 1159 CD2 TYR A 80 5.287 -6.404 -7.778 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.659 -7.127 -8.202 1.00 0.00 C ATOM 1161 CE2 TYR A 80 4.974 -7.717 -8.070 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.659 -8.074 -8.282 1.00 0.00 C ATOM 1163 OH TYR A 80 3.343 -9.381 -8.573 1.00 0.00 O ATOM 0 H TYR A 80 2.439 -2.944 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 80 4.923 -4.343 -5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.043 -3.343 -8.004 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.687 -3.822 -7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.196 -5.079 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.318 -6.127 -7.613 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.630 -7.409 -8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.755 -8.460 -8.132 1.00 0.00 H new ATOM 0 HH TYR A 80 4.162 -9.919 -8.593 1.00 0.00 H new ATOM 1173 N LEU A 81 6.238 -2.239 -5.117 1.00 0.00 N ATOM 1174 CA LEU A 81 6.937 -0.993 -4.838 1.00 0.00 C ATOM 1175 C LEU A 81 8.363 -1.058 -5.360 1.00 0.00 C ATOM 1176 O LEU A 81 9.096 -2.007 -5.082 1.00 0.00 O ATOM 1177 CB LEU A 81 6.954 -0.675 -3.340 1.00 0.00 C ATOM 1178 CG LEU A 81 7.410 0.750 -2.996 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.239 1.719 -2.984 1.00 0.00 C ATOM 1180 CD2 LEU A 81 8.120 0.780 -1.656 1.00 0.00 C ATOM 0 H LEU A 81 6.762 -3.080 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 81 6.396 -0.196 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.953 -0.830 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.612 -1.384 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 81 8.107 1.065 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.596 2.719 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.769 1.734 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.510 1.400 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.434 1.800 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.442 0.431 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.995 0.131 -1.693 1.00 0.00 H new ATOM 1192 N GLN A 82 8.756 -0.037 -6.106 1.00 0.00 N ATOM 1193 CA GLN A 82 10.099 0.030 -6.655 1.00 0.00 C ATOM 1194 C GLN A 82 10.927 1.018 -5.850 1.00 0.00 C ATOM 1195 O GLN A 82 10.745 2.231 -5.958 1.00 0.00 O ATOM 1196 CB GLN A 82 10.056 0.445 -8.127 1.00 0.00 C ATOM 1197 CG GLN A 82 11.279 0.013 -8.920 1.00 0.00 C ATOM 1198 CD GLN A 82 11.262 -1.464 -9.260 1.00 0.00 C ATOM 1199 OE1 GLN A 82 10.213 -2.030 -9.570 1.00 0.00 O ATOM 1200 NE2 GLN A 82 12.429 -2.097 -9.204 1.00 0.00 N ATOM 0 H GLN A 82 8.162 0.757 -6.345 1.00 0.00 H new ATOM 0 HA GLN A 82 10.559 -0.956 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.165 0.020 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.959 1.529 -8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.334 0.593 -9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.178 0.240 -8.347 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.273 -1.588 -8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.481 -3.092 -9.423 1.00 0.00 H new ATOM 1209 N MET A 83 11.819 0.489 -5.023 1.00 0.00 N ATOM 1210 CA MET A 83 12.655 1.328 -4.173 1.00 0.00 C ATOM 1211 C MET A 83 13.869 1.855 -4.928 1.00 0.00 C ATOM 1212 O MET A 83 14.862 1.151 -5.108 1.00 0.00 O ATOM 1213 CB MET A 83 13.110 0.545 -2.942 1.00 0.00 C ATOM 1214 CG MET A 83 12.056 0.466 -1.849 1.00 0.00 C ATOM 1215 SD MET A 83 12.611 -0.474 -0.415 1.00 0.00 S ATOM 1216 CE MET A 83 11.190 -1.527 -0.135 1.00 0.00 C ATOM 0 H MET A 83 11.982 -0.513 -4.922 1.00 0.00 H new ATOM 0 HA MET A 83 12.055 2.182 -3.859 1.00 0.00 H new ATOM 0 HB2 MET A 83 13.384 -0.466 -3.245 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.008 1.011 -2.537 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.787 1.475 -1.535 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.154 0.007 -2.252 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.317 -2.068 0.802 1.00 0.00 H new ATOM 0 HE2 MET A 83 10.289 -0.916 -0.081 1.00 0.00 H new ATOM 0 HE3 MET A 83 11.097 -2.239 -0.955 1.00 0.00 H new ATOM 1226 N ASN A 84 13.775 3.111 -5.358 1.00 0.00 N ATOM 1227 CA ASN A 84 14.862 3.758 -6.086 1.00 0.00 C ATOM 1228 C ASN A 84 15.425 4.923 -5.277 1.00 0.00 C ATOM 1229 O ASN A 84 14.872 5.287 -4.238 1.00 0.00 O ATOM 1230 CB ASN A 84 14.379 4.254 -7.452 1.00 0.00 C ATOM 1231 CG ASN A 84 12.980 3.773 -7.785 1.00 0.00 C ATOM 1232 OD1 ASN A 84 12.893 2.714 -8.581 1.00 0.00 O flip ATOM 1233 ND2 ASN A 84 11.990 4.347 -7.333 1.00 0.00 N flip ATOM 0 H ASN A 84 12.956 3.701 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 84 15.651 3.023 -6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.398 5.344 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.070 3.913 -8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.104 5.158 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.055 4.012 -7.567 1.00 0.00 H new ATOM 1240 N SER A 85 16.523 5.503 -5.756 1.00 0.00 N ATOM 1241 CA SER A 85 17.159 6.626 -5.072 1.00 0.00 C ATOM 1242 C SER A 85 17.461 6.273 -3.617 1.00 0.00 C ATOM 1243 O SER A 85 17.162 7.044 -2.704 1.00 0.00 O ATOM 1244 CB SER A 85 16.263 7.865 -5.141 1.00 0.00 C ATOM 1245 OG SER A 85 16.517 8.616 -6.315 1.00 0.00 O ATOM 0 H SER A 85 16.991 5.214 -6.615 1.00 0.00 H new ATOM 0 HA SER A 85 18.101 6.844 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.216 7.562 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.432 8.489 -4.263 1.00 0.00 H new ATOM 0 HG SER A 85 15.930 9.401 -6.335 1.00 0.00 H new ATOM 1251 N LEU A 86 18.051 5.099 -3.411 1.00 0.00 N ATOM 1252 CA LEU A 86 18.391 4.634 -2.071 1.00 0.00 C ATOM 1253 C LEU A 86 19.519 5.467 -1.470 1.00 0.00 C ATOM 1254 O LEU A 86 20.329 6.048 -2.193 1.00 0.00 O ATOM 1255 CB LEU A 86 18.800 3.156 -2.103 1.00 0.00 C ATOM 1256 CG LEU A 86 17.792 2.194 -2.751 1.00 0.00 C ATOM 1257 CD1 LEU A 86 16.363 2.558 -2.372 1.00 0.00 C ATOM 1258 CD2 LEU A 86 17.959 2.184 -4.263 1.00 0.00 C ATOM 0 H LEU A 86 18.304 4.451 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 86 17.505 4.747 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.747 3.073 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.981 2.827 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 86 17.994 1.192 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.672 1.860 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.249 2.504 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 86 16.144 3.571 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.237 1.497 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.791 3.187 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.969 1.860 -4.515 1.00 0.00 H new ATOM 1270 N LYS A 87 19.566 5.516 -0.141 1.00 0.00 N ATOM 1271 CA LYS A 87 20.596 6.273 0.562 1.00 0.00 C ATOM 1272 C LYS A 87 20.860 5.684 1.944 1.00 0.00 C ATOM 1273 O LYS A 87 22.011 5.465 2.325 1.00 0.00 O ATOM 1274 CB LYS A 87 20.186 7.742 0.689 1.00 0.00 C ATOM 1275 CG LYS A 87 18.818 7.944 1.324 1.00 0.00 C ATOM 1276 CD LYS A 87 17.824 8.521 0.331 1.00 0.00 C ATOM 1277 CE LYS A 87 17.177 9.790 0.861 1.00 0.00 C ATOM 1278 NZ LYS A 87 18.178 10.716 1.459 1.00 0.00 N ATOM 0 H LYS A 87 18.902 5.040 0.470 1.00 0.00 H new ATOM 0 HA LYS A 87 21.515 6.210 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.933 8.268 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.188 8.197 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.446 6.991 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 87 18.908 8.612 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.331 8.736 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.053 7.781 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.653 10.296 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.429 9.530 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.880 11.700 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.249 10.537 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.105 10.559 1.015 1.00 0.00 H new ATOM 1292 N SER A 88 19.788 5.432 2.695 1.00 0.00 N ATOM 1293 CA SER A 88 19.906 4.873 4.038 1.00 0.00 C ATOM 1294 C SER A 88 18.532 4.580 4.631 1.00 0.00 C ATOM 1295 O SER A 88 18.286 3.493 5.154 1.00 0.00 O ATOM 1296 CB SER A 88 20.650 5.846 4.952 1.00 0.00 C ATOM 1297 OG SER A 88 21.431 5.153 5.910 1.00 0.00 O ATOM 0 H SER A 88 18.829 5.607 2.395 1.00 0.00 H new ATOM 0 HA SER A 88 20.464 3.940 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.292 6.492 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.934 6.491 5.461 1.00 0.00 H new ATOM 0 HG SER A 88 21.898 5.799 6.481 1.00 0.00 H new ATOM 1303 N GLU A 89 17.650 5.571 4.557 1.00 0.00 N ATOM 1304 CA GLU A 89 16.301 5.449 5.095 1.00 0.00 C ATOM 1305 C GLU A 89 15.547 4.278 4.465 1.00 0.00 C ATOM 1306 O GLU A 89 14.575 3.779 5.033 1.00 0.00 O ATOM 1307 CB GLU A 89 15.535 6.757 4.877 1.00 0.00 C ATOM 1308 CG GLU A 89 14.821 6.840 3.535 1.00 0.00 C ATOM 1309 CD GLU A 89 14.039 8.128 3.367 1.00 0.00 C ATOM 1310 OE1 GLU A 89 12.851 8.154 3.750 1.00 0.00 O ATOM 1311 OE2 GLU A 89 14.613 9.109 2.851 1.00 0.00 O ATOM 0 H GLU A 89 17.848 6.474 4.126 1.00 0.00 H new ATOM 0 HA GLU A 89 16.380 5.250 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.802 6.874 5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.231 7.592 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.554 6.757 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.143 5.992 3.436 1.00 0.00 H new ATOM 1318 N ASP A 90 15.999 3.844 3.293 1.00 0.00 N ATOM 1319 CA ASP A 90 15.364 2.731 2.593 1.00 0.00 C ATOM 1320 C ASP A 90 15.466 1.448 3.413 1.00 0.00 C ATOM 1321 O ASP A 90 14.577 0.598 3.372 1.00 0.00 O ATOM 1322 CB ASP A 90 16.006 2.519 1.220 1.00 0.00 C ATOM 1323 CG ASP A 90 17.047 3.571 0.893 1.00 0.00 C ATOM 1324 OD1 ASP A 90 16.656 4.696 0.520 1.00 0.00 O ATOM 1325 OD2 ASP A 90 18.253 3.268 1.012 1.00 0.00 O ATOM 0 H ASP A 90 16.802 4.245 2.808 1.00 0.00 H new ATOM 0 HA ASP A 90 14.311 2.979 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.469 1.533 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.230 2.531 0.455 1.00 0.00 H new ATOM 1330 N THR A 91 16.562 1.317 4.155 1.00 0.00 N ATOM 1331 CA THR A 91 16.793 0.140 4.986 1.00 0.00 C ATOM 1332 C THR A 91 15.775 0.054 6.120 1.00 0.00 C ATOM 1333 O THR A 91 15.899 0.749 7.130 1.00 0.00 O ATOM 1334 CB THR A 91 18.212 0.152 5.589 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.182 0.373 4.558 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.509 -1.159 6.298 1.00 0.00 C ATOM 0 H THR A 91 17.306 2.014 4.198 1.00 0.00 H new ATOM 0 HA THR A 91 16.684 -0.730 4.338 1.00 0.00 H new ATOM 0 HB THR A 91 18.266 0.961 6.317 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.080 0.381 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.515 -1.127 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.788 -1.310 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.437 -1.982 5.587 1.00 0.00 H new ATOM 1344 N ALA A 92 14.772 -0.805 5.947 1.00 0.00 N ATOM 1345 CA ALA A 92 13.731 -0.990 6.954 1.00 0.00 C ATOM 1346 C ALA A 92 12.728 -2.053 6.518 1.00 0.00 C ATOM 1347 O ALA A 92 12.842 -2.615 5.429 1.00 0.00 O ATOM 1348 CB ALA A 92 13.017 0.327 7.224 1.00 0.00 C ATOM 0 H ALA A 92 14.659 -1.385 5.116 1.00 0.00 H new ATOM 0 HA ALA A 92 14.208 -1.330 7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.244 0.174 7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.735 1.063 7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.560 0.689 6.303 1.00 0.00 H new ATOM 1354 N VAL A 93 11.744 -2.322 7.372 1.00 0.00 N ATOM 1355 CA VAL A 93 10.720 -3.317 7.065 1.00 0.00 C ATOM 1356 C VAL A 93 9.533 -2.673 6.357 1.00 0.00 C ATOM 1357 O VAL A 93 9.055 -1.619 6.768 1.00 0.00 O ATOM 1358 CB VAL A 93 10.227 -4.031 8.336 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.415 -5.262 7.970 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.401 -4.409 9.227 1.00 0.00 C ATOM 0 H VAL A 93 11.634 -1.867 8.278 1.00 0.00 H new ATOM 0 HA VAL A 93 11.178 -4.054 6.406 1.00 0.00 H new ATOM 0 HB VAL A 93 9.585 -3.346 8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.073 -5.756 8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.553 -4.965 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.035 -5.949 7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.032 -4.913 10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.070 -5.077 8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.943 -3.509 9.516 1.00 0.00 H new ATOM 1370 N TYR A 94 9.071 -3.302 5.281 1.00 0.00 N ATOM 1371 CA TYR A 94 7.953 -2.764 4.513 1.00 0.00 C ATOM 1372 C TYR A 94 6.732 -3.681 4.543 1.00 0.00 C ATOM 1373 O TYR A 94 6.847 -4.897 4.729 1.00 0.00 O ATOM 1374 CB TYR A 94 8.386 -2.520 3.068 1.00 0.00 C ATOM 1375 CG TYR A 94 9.411 -1.419 2.926 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.717 -1.597 3.368 1.00 0.00 C ATOM 1377 CD2 TYR A 94 9.074 -0.199 2.354 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.656 -0.591 3.246 1.00 0.00 C ATOM 1379 CE2 TYR A 94 10.008 0.811 2.227 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.297 0.610 2.674 1.00 0.00 C ATOM 1381 OH TYR A 94 12.229 1.614 2.549 1.00 0.00 O ATOM 0 H TYR A 94 9.450 -4.179 4.923 1.00 0.00 H new ATOM 0 HA TYR A 94 7.662 -1.822 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.796 -3.443 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.509 -2.269 2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.002 -2.538 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.066 -0.037 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.666 -0.745 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.730 1.754 1.780 1.00 0.00 H new ATOM 0 HH TYR A 94 11.935 2.249 1.863 1.00 0.00 H new ATOM 1391 N TYR A 95 5.563 -3.071 4.348 1.00 0.00 N ATOM 1392 CA TYR A 95 4.290 -3.788 4.332 1.00 0.00 C ATOM 1393 C TYR A 95 3.342 -3.157 3.312 1.00 0.00 C ATOM 1394 O TYR A 95 3.565 -2.038 2.853 1.00 0.00 O ATOM 1395 CB TYR A 95 3.620 -3.765 5.715 1.00 0.00 C ATOM 1396 CG TYR A 95 4.564 -3.962 6.884 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.319 -2.907 7.382 1.00 0.00 C ATOM 1398 CD2 TYR A 95 4.687 -5.202 7.498 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.172 -3.084 8.455 1.00 0.00 C ATOM 1400 CE2 TYR A 95 5.538 -5.386 8.572 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.277 -4.324 9.046 1.00 0.00 C ATOM 1402 OH TYR A 95 7.126 -4.505 10.113 1.00 0.00 O ATOM 0 H TYR A 95 5.473 -2.066 4.197 1.00 0.00 H new ATOM 0 HA TYR A 95 4.498 -4.822 4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.106 -2.811 5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.858 -4.544 5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.238 -1.933 6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.108 -6.036 7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.754 -2.254 8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.623 -6.357 9.037 1.00 0.00 H new ATOM 0 HH TYR A 95 7.081 -5.437 10.413 1.00 0.00 H new ATOM 1412 N CYS A 96 2.277 -3.875 2.974 1.00 0.00 N ATOM 1413 CA CYS A 96 1.281 -3.387 2.024 1.00 0.00 C ATOM 1414 C CYS A 96 -0.124 -3.659 2.562 1.00 0.00 C ATOM 1415 O CYS A 96 -0.567 -4.801 2.612 1.00 0.00 O ATOM 1416 CB CYS A 96 1.482 -4.051 0.655 1.00 0.00 C ATOM 1417 SG CYS A 96 -0.029 -4.756 -0.083 1.00 0.00 S ATOM 0 H CYS A 96 2.079 -4.804 3.346 1.00 0.00 H new ATOM 0 HA CYS A 96 1.402 -2.311 1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.896 -3.314 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.223 -4.843 0.757 1.00 0.00 H new ATOM 1422 N ALA A 97 -0.807 -2.603 2.991 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.148 -2.736 3.558 1.00 0.00 C ATOM 1424 C ALA A 97 -3.155 -1.846 2.850 1.00 0.00 C ATOM 1425 O ALA A 97 -2.787 -0.994 2.041 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.135 -2.431 5.044 1.00 0.00 C ATOM 0 H ALA A 97 -0.456 -1.646 2.958 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.458 -3.771 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.143 -2.536 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.467 -3.127 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.785 -1.411 5.203 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.433 -2.056 3.151 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.494 -1.267 2.526 1.00 0.00 C ATOM 1434 C LYS A 98 -5.682 0.065 3.237 1.00 0.00 C ATOM 1435 O LYS A 98 -5.630 0.144 4.464 1.00 0.00 O ATOM 1436 CB LYS A 98 -6.813 -2.048 2.509 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.056 -1.181 2.378 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.211 -1.752 3.182 1.00 0.00 C ATOM 1439 CE LYS A 98 -9.434 -0.973 4.467 1.00 0.00 C ATOM 1440 NZ LYS A 98 -10.689 -1.386 5.155 1.00 0.00 N ATOM 0 H LYS A 98 -4.759 -2.757 3.816 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.193 -1.065 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.791 -2.757 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.887 -2.632 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.835 -0.170 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.342 -1.106 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.120 -1.731 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.009 -2.797 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.586 -1.125 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.476 0.093 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.805 -0.832 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.501 -1.218 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.638 -2.397 5.392 1.00 0.00 H new ATOM 1454 N TYR A 99 -5.893 1.112 2.444 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.080 2.458 2.977 1.00 0.00 C ATOM 1456 C TYR A 99 -7.528 2.684 3.398 1.00 0.00 C ATOM 1457 O TYR A 99 -8.415 1.904 3.048 1.00 0.00 O ATOM 1458 CB TYR A 99 -5.675 3.497 1.928 1.00 0.00 C ATOM 1459 CG TYR A 99 -4.768 4.584 2.461 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -3.603 4.271 3.150 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -5.078 5.925 2.271 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -2.773 5.264 3.636 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -4.251 6.923 2.753 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.101 6.587 3.435 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.277 7.579 3.916 1.00 0.00 O ATOM 0 H TYR A 99 -5.939 1.053 1.427 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.447 2.566 3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.173 2.990 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -6.575 3.956 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.342 3.235 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -5.979 6.192 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.872 5.004 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.505 7.961 2.596 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.370 7.447 3.570 1.00 0.00 H new ATOM 1475 N SER A 100 -7.758 3.753 4.153 1.00 0.00 N ATOM 1476 CA SER A 100 -9.098 4.079 4.625 1.00 0.00 C ATOM 1477 C SER A 100 -9.470 5.516 4.273 1.00 0.00 C ATOM 1478 O SER A 100 -10.333 5.752 3.426 1.00 0.00 O ATOM 1479 CB SER A 100 -9.191 3.874 6.139 1.00 0.00 C ATOM 1480 OG SER A 100 -9.612 2.558 6.451 1.00 0.00 O ATOM 0 H SER A 100 -7.034 4.407 4.451 1.00 0.00 H new ATOM 0 HA SER A 100 -9.801 3.411 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.220 4.066 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.891 4.593 6.564 1.00 0.00 H new ATOM 0 HG SER A 100 -9.662 2.452 7.424 1.00 0.00 H new ATOM 1486 N GLY A 101 -8.818 6.471 4.928 1.00 0.00 N ATOM 1487 CA GLY A 101 -9.102 7.871 4.667 1.00 0.00 C ATOM 1488 C GLY A 101 -7.852 8.731 4.647 1.00 0.00 C ATOM 1489 O GLY A 101 -7.855 9.823 4.077 1.00 0.00 O ATOM 0 H GLY A 101 -8.100 6.302 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.614 7.961 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.784 8.247 5.430 1.00 0.00 H new ATOM 1493 N GLY A 102 -6.784 8.244 5.270 1.00 0.00 N ATOM 1494 CA GLY A 102 -5.542 8.996 5.305 1.00 0.00 C ATOM 1495 C GLY A 102 -4.493 8.359 6.197 1.00 0.00 C ATOM 1496 O GLY A 102 -3.646 9.052 6.759 1.00 0.00 O ATOM 0 H GLY A 102 -6.755 7.345 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.147 9.083 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.745 10.008 5.656 1.00 0.00 H new ATOM 1500 N ALA A 103 -4.550 7.037 6.326 1.00 0.00 N ATOM 1501 CA ALA A 103 -3.597 6.304 7.154 1.00 0.00 C ATOM 1502 C ALA A 103 -3.739 4.801 6.950 1.00 0.00 C ATOM 1503 O ALA A 103 -4.849 4.290 6.796 1.00 0.00 O ATOM 1504 CB ALA A 103 -3.792 6.658 8.622 1.00 0.00 C ATOM 0 H ALA A 103 -5.247 6.450 5.867 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.591 6.594 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.075 6.104 9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.636 7.728 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.805 6.396 8.928 1.00 0.00 H new ATOM 1510 N LEU A 104 -2.612 4.093 6.947 1.00 0.00 N ATOM 1511 CA LEU A 104 -2.629 2.647 6.758 1.00 0.00 C ATOM 1512 C LEU A 104 -2.747 1.917 8.092 1.00 0.00 C ATOM 1513 O LEU A 104 -2.380 2.449 9.139 1.00 0.00 O ATOM 1514 CB LEU A 104 -1.376 2.178 6.011 1.00 0.00 C ATOM 1515 CG LEU A 104 -1.555 0.883 5.212 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -2.786 0.967 4.333 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -0.335 0.593 4.357 1.00 0.00 C ATOM 0 H LEU A 104 -1.683 4.494 7.072 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.505 2.406 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.058 2.968 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.571 2.036 6.732 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.679 0.069 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.897 0.039 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.667 1.123 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.680 1.800 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.491 -0.332 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.177 1.414 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.541 0.488 4.997 1.00 0.00 H new ATOM 1529 N ASP A 105 -3.271 0.696 8.041 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.449 -0.114 9.240 1.00 0.00 C ATOM 1531 C ASP A 105 -2.356 -1.172 9.362 1.00 0.00 C ATOM 1532 O ASP A 105 -1.944 -1.521 10.468 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.826 -0.787 9.222 1.00 0.00 C ATOM 1534 CG ASP A 105 -5.351 -1.072 10.617 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -4.842 -0.461 11.581 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -6.271 -1.908 10.745 1.00 0.00 O ATOM 0 H ASP A 105 -3.580 0.246 7.180 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.380 0.547 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.533 -0.147 8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.763 -1.721 8.663 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.898 -1.683 8.218 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.858 -2.710 8.192 1.00 0.00 C ATOM 1543 C ALA A 106 -1.350 -3.991 8.855 1.00 0.00 C ATOM 1544 O ALA A 106 -1.708 -3.995 10.033 1.00 0.00 O ATOM 1545 CB ALA A 106 0.408 -2.206 8.865 1.00 0.00 C ATOM 0 H ALA A 106 -2.232 -1.401 7.296 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.624 -2.935 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.170 -2.985 8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.772 -1.322 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.191 -1.949 9.902 1.00 0.00 H new ATOM 1551 N TRP A 107 -1.386 -5.076 8.088 1.00 0.00 N ATOM 1552 CA TRP A 107 -1.863 -6.352 8.605 1.00 0.00 C ATOM 1553 C TRP A 107 -0.746 -7.382 8.721 1.00 0.00 C ATOM 1554 O TRP A 107 -0.149 -7.546 9.785 1.00 0.00 O ATOM 1555 CB TRP A 107 -3.016 -6.869 7.738 1.00 0.00 C ATOM 1556 CG TRP A 107 -4.017 -5.805 7.405 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -4.458 -4.801 8.219 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.691 -5.630 6.160 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -5.366 -4.018 7.555 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.525 -4.506 6.289 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -4.671 -6.315 4.947 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.324 -4.056 5.250 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -5.460 -5.864 3.919 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.274 -4.747 4.074 1.00 0.00 C ATOM 0 H TRP A 107 -1.092 -5.097 7.111 1.00 0.00 H new ATOM 0 HA TRP A 107 -2.232 -6.187 9.617 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -2.612 -7.283 6.814 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -3.519 -7.684 8.259 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -4.138 -4.646 9.239 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.844 -3.205 7.942 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -4.045 -7.186 4.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.962 -3.192 5.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.449 -6.385 2.973 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -6.881 -4.418 3.244 1.00 0.00 H new ATOM 1575 N GLY A 108 -0.486 -8.080 7.636 1.00 0.00 N ATOM 1576 CA GLY A 108 0.546 -9.106 7.640 1.00 0.00 C ATOM 1577 C GLY A 108 1.834 -8.680 6.961 1.00 0.00 C ATOM 1578 O GLY A 108 2.220 -7.512 7.017 1.00 0.00 O ATOM 0 H GLY A 108 -0.968 -7.961 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.764 -9.385 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.162 -9.997 7.143 1.00 0.00 H new ATOM 1582 N GLN A 109 2.495 -9.651 6.324 1.00 0.00 N ATOM 1583 CA GLN A 109 3.754 -9.431 5.614 1.00 0.00 C ATOM 1584 C GLN A 109 4.935 -9.312 6.574 1.00 0.00 C ATOM 1585 O GLN A 109 5.104 -10.136 7.474 1.00 0.00 O ATOM 1586 CB GLN A 109 3.672 -8.191 4.725 1.00 0.00 C ATOM 1587 CG GLN A 109 2.553 -8.247 3.711 1.00 0.00 C ATOM 1588 CD GLN A 109 1.852 -6.919 3.557 1.00 0.00 C ATOM 1589 OE1 GLN A 109 1.623 -6.207 4.534 1.00 0.00 O ATOM 1590 NE2 GLN A 109 1.504 -6.581 2.326 1.00 0.00 N ATOM 0 H GLN A 109 2.168 -10.616 6.287 1.00 0.00 H new ATOM 0 HA GLN A 109 3.921 -10.305 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.537 -7.311 5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.620 -8.066 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 109 2.955 -8.557 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 109 1.830 -9.004 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 109 1.715 -7.204 1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 109 1.024 -5.697 2.156 1.00 0.00 H new ATOM 1599 N GLY A 110 5.759 -8.290 6.360 1.00 0.00 N ATOM 1600 CA GLY A 110 6.928 -8.083 7.188 1.00 0.00 C ATOM 1601 C GLY A 110 8.208 -8.355 6.424 1.00 0.00 C ATOM 1602 O GLY A 110 9.023 -9.178 6.842 1.00 0.00 O ATOM 0 H GLY A 110 5.634 -7.598 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.935 -7.058 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.878 -8.736 8.059 1.00 0.00 H new ATOM 1606 N THR A 111 8.382 -7.670 5.294 1.00 0.00 N ATOM 1607 CA THR A 111 9.571 -7.860 4.470 1.00 0.00 C ATOM 1608 C THR A 111 10.734 -7.011 4.970 1.00 0.00 C ATOM 1609 O THR A 111 10.587 -5.813 5.210 1.00 0.00 O ATOM 1610 CB THR A 111 9.297 -7.536 2.986 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.467 -7.802 2.203 1.00 0.00 O ATOM 1612 CG2 THR A 111 8.884 -6.083 2.804 1.00 0.00 C ATOM 0 H THR A 111 7.719 -6.984 4.932 1.00 0.00 H new ATOM 0 HA THR A 111 9.840 -8.913 4.551 1.00 0.00 H new ATOM 0 HB THR A 111 8.477 -8.171 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.489 -7.198 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.698 -5.887 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.976 -5.889 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.682 -5.431 3.159 1.00 0.00 H new ATOM 1620 N GLN A 112 11.889 -7.644 5.131 1.00 0.00 N ATOM 1621 CA GLN A 112 13.079 -6.953 5.608 1.00 0.00 C ATOM 1622 C GLN A 112 13.925 -6.447 4.445 1.00 0.00 C ATOM 1623 O GLN A 112 14.570 -7.228 3.744 1.00 0.00 O ATOM 1624 CB GLN A 112 13.909 -7.885 6.497 1.00 0.00 C ATOM 1625 CG GLN A 112 15.332 -7.401 6.735 1.00 0.00 C ATOM 1626 CD GLN A 112 15.401 -6.138 7.579 1.00 0.00 C ATOM 1627 OE1 GLN A 112 14.305 -5.806 8.254 1.00 0.00 O flip ATOM 1628 NE2 GLN A 112 16.432 -5.469 7.623 1.00 0.00 N flip ATOM 0 H GLN A 112 12.027 -8.636 4.938 1.00 0.00 H new ATOM 0 HA GLN A 112 12.758 -6.091 6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.408 -7.996 7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 112 13.943 -8.873 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.900 -8.191 7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.811 -7.215 5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 112 17.251 -5.759 7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 112 16.468 -4.624 8.193 1.00 0.00 H new ATOM 1637 N VAL A 113 13.928 -5.133 4.258 1.00 0.00 N ATOM 1638 CA VAL A 113 14.707 -4.511 3.195 1.00 0.00 C ATOM 1639 C VAL A 113 15.946 -3.845 3.781 1.00 0.00 C ATOM 1640 O VAL A 113 15.852 -3.095 4.752 1.00 0.00 O ATOM 1641 CB VAL A 113 13.878 -3.462 2.425 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.755 -2.697 1.445 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.714 -4.124 1.701 1.00 0.00 C ATOM 0 H VAL A 113 13.398 -4.476 4.831 1.00 0.00 H new ATOM 0 HA VAL A 113 15.001 -5.295 2.497 1.00 0.00 H new ATOM 0 HB VAL A 113 13.473 -2.752 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.151 -1.963 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.550 -2.187 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.194 -3.393 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.142 -3.367 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.097 -4.860 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.069 -4.620 2.426 1.00 0.00 H new ATOM 1653 N THR A 114 17.110 -4.133 3.207 1.00 0.00 N ATOM 1654 CA THR A 114 18.353 -3.561 3.709 1.00 0.00 C ATOM 1655 C THR A 114 19.239 -3.032 2.586 1.00 0.00 C ATOM 1656 O THR A 114 19.290 -3.597 1.493 1.00 0.00 O ATOM 1657 CB THR A 114 19.144 -4.596 4.531 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.299 -5.177 5.531 1.00 0.00 O ATOM 1659 CG2 THR A 114 20.353 -3.956 5.197 1.00 0.00 C ATOM 0 H THR A 114 17.218 -4.752 2.403 1.00 0.00 H new ATOM 0 HA THR A 114 18.071 -2.724 4.347 1.00 0.00 H new ATOM 0 HB THR A 114 19.493 -5.372 3.850 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.761 -5.932 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.893 -4.709 5.771 1.00 0.00 H new ATOM 0 HG22 THR A 114 21.011 -3.540 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 114 20.022 -3.160 5.864 1.00 0.00 H new ATOM 1667 N VAL A 115 19.943 -1.942 2.876 1.00 0.00 N ATOM 1668 CA VAL A 115 20.841 -1.323 1.912 1.00 0.00 C ATOM 1669 C VAL A 115 22.286 -1.407 2.394 1.00 0.00 C ATOM 1670 O VAL A 115 22.660 -0.775 3.382 1.00 0.00 O ATOM 1671 CB VAL A 115 20.479 0.155 1.675 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.345 0.757 0.580 1.00 0.00 C ATOM 1673 CG2 VAL A 115 19.003 0.299 1.336 1.00 0.00 C ATOM 0 H VAL A 115 19.907 -1.468 3.778 1.00 0.00 H new ATOM 0 HA VAL A 115 20.733 -1.868 0.974 1.00 0.00 H new ATOM 0 HB VAL A 115 20.672 0.703 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 115 21.070 1.801 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.394 0.696 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 115 21.193 0.206 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.768 1.351 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.780 -0.267 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.401 -0.083 2.161 1.00 0.00 H new ATOM 1683 N SER A 116 23.089 -2.194 1.690 1.00 0.00 N ATOM 1684 CA SER A 116 24.494 -2.370 2.040 1.00 0.00 C ATOM 1685 C SER A 116 25.339 -1.231 1.478 1.00 0.00 C ATOM 1686 O SER A 116 25.979 -1.374 0.436 1.00 0.00 O ATOM 1687 CB SER A 116 25.007 -3.712 1.514 1.00 0.00 C ATOM 1688 OG SER A 116 25.360 -4.578 2.579 1.00 0.00 O ATOM 0 H SER A 116 22.791 -2.723 0.870 1.00 0.00 H new ATOM 0 HA SER A 116 24.579 -2.359 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 116 24.240 -4.182 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 116 25.873 -3.547 0.873 1.00 0.00 H new ATOM 0 HG SER A 116 25.683 -5.429 2.215 1.00 0.00 H new