USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 18 ASN : amide:sc= -4.45! C(o=-4.4!,f=-6.2!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0.0595 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0443 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 0.579 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= 0.0404 K(o=0.04,f=-1.4) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 26:sc= -3.36! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -99:sc= -0.484 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -32:sc= 0.501 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.19) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.035) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00943 X(o=-0.0094,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.2) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 77 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.7) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 173:sc= -3.7 (180deg=-3.93) USER MOD Single : A 94 HIS : no HE2:sc= -4.03! C(o=-4!,f=-4.2!) USER MOD Single : A 100 THR OG1 : rot -69:sc= 1.28 USER MOD Single : A 105 ASN : amide:sc= -0.0439 K(o=-0.044,f=-0.85) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.528 K(o=-0.53,f=-2.2!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.544 -20.290 -25.625 1.00 0.00 N ATOM 2 CA GLY A 1 -31.504 -19.669 -24.824 1.00 0.00 C ATOM 3 C GLY A 1 -31.531 -20.192 -23.387 1.00 0.00 C ATOM 4 O GLY A 1 -32.594 -20.525 -22.864 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.993 -19.572 -26.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.126 -21.032 -26.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.259 -20.712 -24.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.529 -19.869 -25.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.638 -18.587 -24.823 1.00 0.00 H new ATOM 8 N SER A 2 -30.351 -20.249 -22.789 1.00 0.00 N ATOM 9 CA SER A 2 -30.226 -20.726 -21.422 1.00 0.00 C ATOM 10 C SER A 2 -28.837 -20.392 -20.876 1.00 0.00 C ATOM 11 O SER A 2 -27.954 -21.249 -20.850 1.00 0.00 O ATOM 12 CB SER A 2 -30.482 -22.232 -21.339 1.00 0.00 C ATOM 13 OG SER A 2 -31.485 -22.552 -20.379 1.00 0.00 O ATOM 0 H SER A 2 -29.472 -19.973 -23.226 1.00 0.00 H new ATOM 0 HA SER A 2 -30.978 -20.223 -20.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.786 -22.602 -22.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.555 -22.743 -21.079 1.00 0.00 H new ATOM 0 HG SER A 2 -31.620 -23.522 -20.358 1.00 0.00 H new ATOM 19 N SER A 3 -28.685 -19.146 -20.453 1.00 0.00 N ATOM 20 CA SER A 3 -27.418 -18.689 -19.909 1.00 0.00 C ATOM 21 C SER A 3 -27.572 -17.277 -19.339 1.00 0.00 C ATOM 22 O SER A 3 -28.521 -16.570 -19.673 1.00 0.00 O ATOM 23 CB SER A 3 -26.320 -18.715 -20.974 1.00 0.00 C ATOM 24 OG SER A 3 -26.488 -17.681 -21.939 1.00 0.00 O ATOM 0 H SER A 3 -29.419 -18.438 -20.476 1.00 0.00 H new ATOM 0 HA SER A 3 -27.125 -19.367 -19.108 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.347 -18.609 -20.494 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.324 -19.683 -21.475 1.00 0.00 H new ATOM 0 HG SER A 3 -25.766 -17.730 -22.600 1.00 0.00 H new ATOM 30 N GLY A 4 -26.623 -16.909 -18.491 1.00 0.00 N ATOM 31 CA GLY A 4 -26.641 -15.594 -17.872 1.00 0.00 C ATOM 32 C GLY A 4 -25.717 -15.549 -16.654 1.00 0.00 C ATOM 33 O GLY A 4 -25.518 -16.560 -15.983 1.00 0.00 O ATOM 0 H GLY A 4 -25.837 -17.498 -18.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.329 -14.842 -18.597 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.658 -15.344 -17.571 1.00 0.00 H new ATOM 37 N SER A 5 -25.177 -14.365 -16.405 1.00 0.00 N ATOM 38 CA SER A 5 -24.278 -14.174 -15.279 1.00 0.00 C ATOM 39 C SER A 5 -23.842 -12.710 -15.200 1.00 0.00 C ATOM 40 O SER A 5 -23.629 -12.065 -16.226 1.00 0.00 O ATOM 41 CB SER A 5 -23.055 -15.087 -15.390 1.00 0.00 C ATOM 42 OG SER A 5 -22.560 -15.473 -14.111 1.00 0.00 O ATOM 0 H SER A 5 -25.345 -13.528 -16.964 1.00 0.00 H new ATOM 0 HA SER A 5 -24.812 -14.437 -14.366 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.318 -15.977 -15.961 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.269 -14.574 -15.944 1.00 0.00 H new ATOM 0 HG SER A 5 -21.781 -16.056 -14.224 1.00 0.00 H new ATOM 48 N SER A 6 -23.722 -12.227 -13.972 1.00 0.00 N ATOM 49 CA SER A 6 -23.316 -10.850 -13.746 1.00 0.00 C ATOM 50 C SER A 6 -23.184 -10.584 -12.245 1.00 0.00 C ATOM 51 O SER A 6 -24.182 -10.363 -11.560 1.00 0.00 O ATOM 52 CB SER A 6 -24.310 -9.872 -14.373 1.00 0.00 C ATOM 53 OG SER A 6 -25.635 -10.073 -13.889 1.00 0.00 O ATOM 0 H SER A 6 -23.899 -12.764 -13.123 1.00 0.00 H new ATOM 0 HA SER A 6 -22.348 -10.696 -14.223 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.997 -8.850 -14.159 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.298 -9.988 -15.457 1.00 0.00 H new ATOM 0 HG SER A 6 -25.608 -10.245 -12.925 1.00 0.00 H new ATOM 59 N GLY A 7 -21.945 -10.614 -11.777 1.00 0.00 N ATOM 60 CA GLY A 7 -21.670 -10.378 -10.370 1.00 0.00 C ATOM 61 C GLY A 7 -22.218 -11.516 -9.506 1.00 0.00 C ATOM 62 O GLY A 7 -23.206 -12.154 -9.867 1.00 0.00 O ATOM 0 H GLY A 7 -21.120 -10.798 -12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.595 -10.285 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.119 -9.434 -10.061 1.00 0.00 H new ATOM 66 N MET A 8 -21.553 -11.735 -8.381 1.00 0.00 N ATOM 67 CA MET A 8 -21.961 -12.785 -7.463 1.00 0.00 C ATOM 68 C MET A 8 -21.114 -12.759 -6.190 1.00 0.00 C ATOM 69 O MET A 8 -19.981 -13.238 -6.184 1.00 0.00 O ATOM 70 CB MET A 8 -21.815 -14.146 -8.147 1.00 0.00 C ATOM 71 CG MET A 8 -23.110 -14.954 -8.041 1.00 0.00 C ATOM 72 SD MET A 8 -23.101 -16.281 -9.235 1.00 0.00 S ATOM 73 CE MET A 8 -22.463 -17.605 -8.223 1.00 0.00 C ATOM 0 H MET A 8 -20.735 -11.203 -8.084 1.00 0.00 H new ATOM 0 HA MET A 8 -23.002 -12.617 -7.187 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.556 -14.004 -9.196 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.997 -14.702 -7.689 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.214 -15.360 -7.035 1.00 0.00 H new ATOM 0 HG3 MET A 8 -23.969 -14.305 -8.213 1.00 0.00 H new ATOM 0 HE1 MET A 8 -22.393 -18.516 -8.818 1.00 0.00 H new ATOM 0 HE2 MET A 8 -21.474 -17.336 -7.853 1.00 0.00 H new ATOM 0 HE3 MET A 8 -23.132 -17.773 -7.379 1.00 0.00 H new ATOM 83 N SER A 9 -21.696 -12.195 -5.141 1.00 0.00 N ATOM 84 CA SER A 9 -21.008 -12.101 -3.865 1.00 0.00 C ATOM 85 C SER A 9 -19.749 -11.243 -4.010 1.00 0.00 C ATOM 86 O SER A 9 -18.653 -11.770 -4.192 1.00 0.00 O ATOM 87 CB SER A 9 -20.646 -13.488 -3.330 1.00 0.00 C ATOM 88 OG SER A 9 -21.803 -14.254 -3.006 1.00 0.00 O ATOM 0 H SER A 9 -22.636 -11.799 -5.149 1.00 0.00 H new ATOM 0 HA SER A 9 -21.681 -11.629 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 9 -20.055 -14.021 -4.075 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.021 -13.383 -2.443 1.00 0.00 H new ATOM 0 HG SER A 9 -21.530 -15.133 -2.670 1.00 0.00 H new ATOM 94 N SER A 10 -19.950 -9.936 -3.925 1.00 0.00 N ATOM 95 CA SER A 10 -18.845 -9.001 -4.046 1.00 0.00 C ATOM 96 C SER A 10 -18.076 -8.926 -2.725 1.00 0.00 C ATOM 97 O SER A 10 -18.585 -8.402 -1.735 1.00 0.00 O ATOM 98 CB SER A 10 -19.341 -7.611 -4.450 1.00 0.00 C ATOM 99 OG SER A 10 -18.407 -6.932 -5.284 1.00 0.00 O ATOM 0 H SER A 10 -20.861 -9.503 -3.774 1.00 0.00 H new ATOM 0 HA SER A 10 -18.177 -9.361 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.293 -7.704 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.525 -7.018 -3.554 1.00 0.00 H new ATOM 0 HG SER A 10 -18.761 -6.050 -5.521 1.00 0.00 H new ATOM 105 N HIS A 11 -16.863 -9.458 -2.752 1.00 0.00 N ATOM 106 CA HIS A 11 -16.020 -9.459 -1.569 1.00 0.00 C ATOM 107 C HIS A 11 -14.599 -9.880 -1.951 1.00 0.00 C ATOM 108 O HIS A 11 -14.376 -10.402 -3.043 1.00 0.00 O ATOM 109 CB HIS A 11 -16.623 -10.337 -0.471 1.00 0.00 C ATOM 110 CG HIS A 11 -16.168 -9.978 0.923 1.00 0.00 C ATOM 111 ND1 HIS A 11 -15.063 -10.557 1.523 1.00 0.00 N ATOM 112 CD2 HIS A 11 -16.678 -9.094 1.827 1.00 0.00 C ATOM 113 CE1 HIS A 11 -14.925 -10.038 2.734 1.00 0.00 C ATOM 114 NE2 HIS A 11 -15.927 -9.131 2.921 1.00 0.00 N ATOM 0 H HIS A 11 -16.444 -9.891 -3.575 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.965 -8.451 -1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.710 -10.264 -0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -16.365 -11.377 -0.669 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -14.458 -11.263 1.104 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -17.546 -8.469 1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.155 -10.289 3.448 1.00 0.00 H new ATOM 122 N VAL A 12 -13.677 -9.638 -1.032 1.00 0.00 N ATOM 123 CA VAL A 12 -12.284 -9.986 -1.259 1.00 0.00 C ATOM 124 C VAL A 12 -12.054 -11.443 -0.852 1.00 0.00 C ATOM 125 O VAL A 12 -12.534 -11.882 0.192 1.00 0.00 O ATOM 126 CB VAL A 12 -11.372 -9.006 -0.518 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.901 -9.389 -0.691 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.623 -7.569 -0.978 1.00 0.00 C ATOM 0 H VAL A 12 -13.867 -9.205 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.037 -9.902 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.610 -9.064 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.274 -8.677 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.736 -10.390 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.643 -9.374 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.962 -6.893 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.426 -7.490 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.660 -7.299 -0.779 1.00 0.00 H new ATOM 138 N PRO A 13 -11.300 -12.170 -1.719 1.00 0.00 N ATOM 139 CA PRO A 13 -11.000 -13.568 -1.459 1.00 0.00 C ATOM 140 C PRO A 13 -9.939 -13.707 -0.365 1.00 0.00 C ATOM 141 O PRO A 13 -9.553 -12.720 0.260 1.00 0.00 O ATOM 142 CB PRO A 13 -10.549 -14.129 -2.798 1.00 0.00 C ATOM 143 CG PRO A 13 -10.169 -12.926 -3.647 1.00 0.00 C ATOM 144 CD PRO A 13 -10.714 -11.683 -2.964 1.00 0.00 C ATOM 0 HA PRO A 13 -11.861 -14.119 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.701 -14.803 -2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.346 -14.704 -3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.086 -12.860 -3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.582 -13.022 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.923 -10.958 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.459 -11.185 -3.584 1.00 0.00 H new ATOM 152 N ALA A 14 -9.497 -14.941 -0.168 1.00 0.00 N ATOM 153 CA ALA A 14 -8.489 -15.222 0.840 1.00 0.00 C ATOM 154 C ALA A 14 -7.158 -15.532 0.151 1.00 0.00 C ATOM 155 O ALA A 14 -6.192 -15.921 0.805 1.00 0.00 O ATOM 156 CB ALA A 14 -8.965 -16.370 1.732 1.00 0.00 C ATOM 0 H ALA A 14 -9.818 -15.757 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.334 -14.354 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.209 -16.581 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.898 -16.089 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.128 -17.260 1.124 1.00 0.00 H new ATOM 162 N ASP A 15 -7.151 -15.348 -1.162 1.00 0.00 N ATOM 163 CA ASP A 15 -5.955 -15.604 -1.946 1.00 0.00 C ATOM 164 C ASP A 15 -5.366 -14.273 -2.418 1.00 0.00 C ATOM 165 O ASP A 15 -4.180 -14.193 -2.735 1.00 0.00 O ATOM 166 CB ASP A 15 -6.278 -16.443 -3.184 1.00 0.00 C ATOM 167 CG ASP A 15 -5.089 -17.200 -3.780 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.306 -17.750 -2.976 1.00 0.00 O ATOM 169 OD2 ASP A 15 -4.991 -17.212 -5.026 1.00 0.00 O ATOM 0 H ASP A 15 -7.954 -15.025 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.248 -16.146 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.054 -17.163 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.694 -15.788 -3.950 1.00 0.00 H new ATOM 174 N MET A 16 -6.222 -13.262 -2.450 1.00 0.00 N ATOM 175 CA MET A 16 -5.801 -11.939 -2.878 1.00 0.00 C ATOM 176 C MET A 16 -5.653 -10.997 -1.681 1.00 0.00 C ATOM 177 O MET A 16 -6.048 -11.336 -0.567 1.00 0.00 O ATOM 178 CB MET A 16 -6.830 -11.366 -3.855 1.00 0.00 C ATOM 179 CG MET A 16 -6.873 -12.184 -5.147 1.00 0.00 C ATOM 180 SD MET A 16 -7.392 -11.151 -6.507 1.00 0.00 S ATOM 181 CE MET A 16 -5.803 -10.582 -7.088 1.00 0.00 C ATOM 0 H MET A 16 -7.205 -13.333 -2.187 1.00 0.00 H new ATOM 0 HA MET A 16 -4.832 -12.028 -3.369 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.816 -11.362 -3.390 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.582 -10.330 -4.084 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.889 -12.604 -5.354 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.560 -13.022 -5.034 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.944 -9.920 -7.942 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.296 -10.041 -6.289 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.198 -11.437 -7.388 1.00 0.00 H new ATOM 191 N ILE A 17 -5.084 -9.831 -1.952 1.00 0.00 N ATOM 192 CA ILE A 17 -4.879 -8.838 -0.912 1.00 0.00 C ATOM 193 C ILE A 17 -5.502 -7.511 -1.350 1.00 0.00 C ATOM 194 O ILE A 17 -5.069 -6.913 -2.334 1.00 0.00 O ATOM 195 CB ILE A 17 -3.395 -8.733 -0.556 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.854 -10.074 -0.059 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.152 -7.607 0.452 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.417 -10.297 -0.536 1.00 0.00 C ATOM 0 H ILE A 17 -4.759 -9.552 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.382 -9.139 0.007 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.843 -8.480 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.888 -10.103 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.490 -10.883 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.089 -7.553 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.477 -6.659 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.717 -7.806 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.057 -11.258 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.390 -10.292 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.779 -9.500 -0.154 1.00 0.00 H new ATOM 210 N ASN A 18 -6.509 -7.090 -0.599 1.00 0.00 N ATOM 211 CA ASN A 18 -7.196 -5.845 -0.898 1.00 0.00 C ATOM 212 C ASN A 18 -6.328 -4.668 -0.448 1.00 0.00 C ATOM 213 O ASN A 18 -5.874 -4.628 0.694 1.00 0.00 O ATOM 214 CB ASN A 18 -8.530 -5.760 -0.154 1.00 0.00 C ATOM 215 CG ASN A 18 -9.608 -5.122 -1.032 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.665 -5.323 -2.234 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.458 -4.345 -0.367 1.00 0.00 N ATOM 0 H ASN A 18 -6.866 -7.589 0.216 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.379 -5.810 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.846 -6.758 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.405 -5.175 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.214 -3.875 -0.864 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.353 -4.220 0.640 1.00 0.00 H new ATOM 224 N LEU A 19 -6.124 -3.739 -1.370 1.00 0.00 N ATOM 225 CA LEU A 19 -5.318 -2.564 -1.083 1.00 0.00 C ATOM 226 C LEU A 19 -6.186 -1.311 -1.216 1.00 0.00 C ATOM 227 O LEU A 19 -6.970 -1.191 -2.156 1.00 0.00 O ATOM 228 CB LEU A 19 -4.068 -2.543 -1.965 1.00 0.00 C ATOM 229 CG LEU A 19 -2.867 -3.334 -1.444 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.023 -2.485 -0.491 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.313 -4.648 -0.799 1.00 0.00 C ATOM 0 H LEU A 19 -6.503 -3.776 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.954 -2.593 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.335 -2.931 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.763 -1.506 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.234 -3.591 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.176 -3.071 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.659 -1.602 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.633 -2.176 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.440 -5.191 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.980 -4.435 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.838 -5.256 -1.536 1.00 0.00 H new ATOM 243 N ARG A 20 -6.017 -0.409 -0.260 1.00 0.00 N ATOM 244 CA ARG A 20 -6.775 0.831 -0.259 1.00 0.00 C ATOM 245 C ARG A 20 -5.937 1.967 -0.849 1.00 0.00 C ATOM 246 O ARG A 20 -4.989 2.434 -0.220 1.00 0.00 O ATOM 247 CB ARG A 20 -7.209 1.210 1.158 1.00 0.00 C ATOM 248 CG ARG A 20 -8.582 1.885 1.150 1.00 0.00 C ATOM 249 CD ARG A 20 -9.025 2.245 2.569 1.00 0.00 C ATOM 250 NE ARG A 20 -10.428 1.825 2.783 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.076 1.937 3.951 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.451 2.456 5.017 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.349 1.530 4.052 1.00 0.00 N ATOM 0 H ARG A 20 -5.367 -0.512 0.519 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.664 0.676 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.243 0.317 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.473 1.881 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.545 2.786 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.315 1.220 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.376 1.757 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.930 3.319 2.727 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.933 1.425 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.482 2.766 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.944 2.541 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.824 1.135 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.843 1.615 4.941 1.00 0.00 H new ATOM 267 N LEU A 21 -6.316 2.377 -2.050 1.00 0.00 N ATOM 268 CA LEU A 21 -5.611 3.449 -2.732 1.00 0.00 C ATOM 269 C LEU A 21 -6.256 4.789 -2.371 1.00 0.00 C ATOM 270 O LEU A 21 -7.354 5.097 -2.833 1.00 0.00 O ATOM 271 CB LEU A 21 -5.553 3.180 -4.237 1.00 0.00 C ATOM 272 CG LEU A 21 -4.626 2.047 -4.681 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.157 2.448 -4.523 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.949 0.750 -3.937 1.00 0.00 C ATOM 0 H LEU A 21 -7.102 1.986 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.574 3.494 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.561 2.955 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.240 4.096 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.798 1.861 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.519 1.625 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.952 3.327 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.953 2.677 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.275 -0.039 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.823 0.904 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.979 0.459 -4.143 1.00 0.00 H new ATOM 286 N ILE A 22 -5.547 5.548 -1.549 1.00 0.00 N ATOM 287 CA ILE A 22 -6.037 6.847 -1.121 1.00 0.00 C ATOM 288 C ILE A 22 -5.573 7.915 -2.114 1.00 0.00 C ATOM 289 O ILE A 22 -4.385 8.011 -2.418 1.00 0.00 O ATOM 290 CB ILE A 22 -5.619 7.128 0.324 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.062 5.997 1.253 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.138 8.490 0.790 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.733 6.323 2.711 1.00 0.00 C ATOM 0 H ILE A 22 -4.637 5.288 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.127 6.862 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.530 7.168 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.134 5.833 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.568 5.070 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.827 8.665 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.731 9.273 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.226 8.504 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.059 5.502 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.657 6.462 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.248 7.238 3.005 1.00 0.00 H new ATOM 305 N LEU A 23 -6.535 8.691 -2.592 1.00 0.00 N ATOM 306 CA LEU A 23 -6.240 9.748 -3.544 1.00 0.00 C ATOM 307 C LEU A 23 -6.534 11.105 -2.901 1.00 0.00 C ATOM 308 O LEU A 23 -7.109 11.169 -1.816 1.00 0.00 O ATOM 309 CB LEU A 23 -6.994 9.513 -4.855 1.00 0.00 C ATOM 310 CG LEU A 23 -6.304 8.601 -5.871 1.00 0.00 C ATOM 311 CD1 LEU A 23 -7.331 7.834 -6.706 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.330 9.392 -6.746 1.00 0.00 C ATOM 0 H LEU A 23 -7.519 8.609 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.182 9.741 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.970 9.088 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.173 10.479 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.718 7.863 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.814 7.193 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.949 7.221 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.963 8.540 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.853 8.720 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.873 10.168 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.568 9.853 -6.117 1.00 0.00 H new ATOM 324 N VAL A 24 -6.124 12.155 -3.597 1.00 0.00 N ATOM 325 CA VAL A 24 -6.336 13.506 -3.107 1.00 0.00 C ATOM 326 C VAL A 24 -7.764 13.632 -2.572 1.00 0.00 C ATOM 327 O VAL A 24 -8.625 12.815 -2.894 1.00 0.00 O ATOM 328 CB VAL A 24 -6.019 14.518 -4.210 1.00 0.00 C ATOM 329 CG1 VAL A 24 -7.295 14.965 -4.928 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.256 15.720 -3.649 1.00 0.00 C ATOM 0 H VAL A 24 -5.646 12.097 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.659 13.723 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.378 14.026 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.041 15.684 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.782 14.100 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.972 15.430 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.043 16.424 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.861 16.212 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.319 15.382 -3.206 1.00 0.00 H new ATOM 340 N SER A 25 -7.970 14.663 -1.765 1.00 0.00 N ATOM 341 CA SER A 25 -9.279 14.906 -1.182 1.00 0.00 C ATOM 342 C SER A 25 -9.477 14.018 0.048 1.00 0.00 C ATOM 343 O SER A 25 -9.767 14.515 1.135 1.00 0.00 O ATOM 344 CB SER A 25 -10.391 14.656 -2.203 1.00 0.00 C ATOM 345 OG SER A 25 -11.552 15.436 -1.929 1.00 0.00 O ATOM 0 H SER A 25 -7.253 15.339 -1.501 1.00 0.00 H new ATOM 0 HA SER A 25 -9.330 15.952 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.025 14.890 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.655 13.599 -2.200 1.00 0.00 H new ATOM 0 HG SER A 25 -12.238 15.250 -2.603 1.00 0.00 H new ATOM 351 N GLY A 26 -9.314 12.721 -0.166 1.00 0.00 N ATOM 352 CA GLY A 26 -9.472 11.760 0.912 1.00 0.00 C ATOM 353 C GLY A 26 -10.069 10.449 0.395 1.00 0.00 C ATOM 354 O GLY A 26 -9.621 9.367 0.771 1.00 0.00 O ATOM 0 H GLY A 26 -9.074 12.313 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.505 11.566 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.117 12.178 1.685 1.00 0.00 H new ATOM 358 N LYS A 27 -11.072 10.590 -0.459 1.00 0.00 N ATOM 359 CA LYS A 27 -11.735 9.431 -1.031 1.00 0.00 C ATOM 360 C LYS A 27 -10.682 8.424 -1.497 1.00 0.00 C ATOM 361 O LYS A 27 -9.675 8.803 -2.093 1.00 0.00 O ATOM 362 CB LYS A 27 -12.706 9.859 -2.134 1.00 0.00 C ATOM 363 CG LYS A 27 -14.155 9.778 -1.651 1.00 0.00 C ATOM 364 CD LYS A 27 -15.091 9.367 -2.790 1.00 0.00 C ATOM 365 CE LYS A 27 -16.468 8.973 -2.253 1.00 0.00 C ATOM 366 NZ LYS A 27 -16.741 7.544 -2.527 1.00 0.00 N ATOM 0 H LYS A 27 -11.441 11.489 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.344 8.931 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.480 10.878 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.574 9.221 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.231 9.058 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.464 10.744 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -15.194 10.191 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.657 8.530 -3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.513 9.159 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -17.236 9.592 -2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.680 7.293 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.718 7.377 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.017 6.957 -2.064 1.00 0.00 H new ATOM 380 N THR A 28 -10.949 7.159 -1.207 1.00 0.00 N ATOM 381 CA THR A 28 -10.037 6.094 -1.588 1.00 0.00 C ATOM 382 C THR A 28 -10.798 4.962 -2.280 1.00 0.00 C ATOM 383 O THR A 28 -12.014 4.845 -2.133 1.00 0.00 O ATOM 384 CB THR A 28 -9.286 5.643 -0.333 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.484 4.554 -0.781 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.213 5.018 0.711 1.00 0.00 C ATOM 0 H THR A 28 -11.785 6.848 -0.712 1.00 0.00 H new ATOM 0 HA THR A 28 -9.304 6.443 -2.316 1.00 0.00 H new ATOM 0 HB THR A 28 -8.768 6.496 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.297 4.657 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.630 4.715 1.581 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.964 5.747 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.706 4.145 0.283 1.00 0.00 H new ATOM 394 N LYS A 29 -10.051 4.156 -3.020 1.00 0.00 N ATOM 395 CA LYS A 29 -10.640 3.037 -3.736 1.00 0.00 C ATOM 396 C LYS A 29 -10.053 1.729 -3.200 1.00 0.00 C ATOM 397 O LYS A 29 -9.127 1.745 -2.392 1.00 0.00 O ATOM 398 CB LYS A 29 -10.468 3.216 -5.245 1.00 0.00 C ATOM 399 CG LYS A 29 -11.785 2.964 -5.981 1.00 0.00 C ATOM 400 CD LYS A 29 -12.515 4.279 -6.264 1.00 0.00 C ATOM 401 CE LYS A 29 -14.012 4.042 -6.470 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.579 5.065 -7.378 1.00 0.00 N ATOM 0 H LYS A 29 -9.043 4.256 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.716 2.998 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.116 4.226 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.705 2.529 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.588 2.444 -6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.421 2.312 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.363 4.969 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.092 4.750 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.175 3.048 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.527 4.074 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.596 4.889 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.440 6.010 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.100 5.015 -8.300 1.00 0.00 H new ATOM 416 N GLU A 30 -10.617 0.627 -3.673 1.00 0.00 N ATOM 417 CA GLU A 30 -10.162 -0.687 -3.252 1.00 0.00 C ATOM 418 C GLU A 30 -9.771 -1.528 -4.469 1.00 0.00 C ATOM 419 O GLU A 30 -10.559 -1.683 -5.400 1.00 0.00 O ATOM 420 CB GLU A 30 -11.229 -1.395 -2.416 1.00 0.00 C ATOM 421 CG GLU A 30 -11.367 -0.745 -1.038 1.00 0.00 C ATOM 422 CD GLU A 30 -12.420 -1.466 -0.194 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.304 -2.100 -0.810 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.317 -1.368 1.048 1.00 0.00 O ATOM 0 H GLU A 30 -11.385 0.617 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.280 -0.561 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.186 -1.360 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.967 -2.447 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.406 -0.767 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.643 0.303 -1.153 1.00 0.00 H new ATOM 431 N PHE A 31 -8.553 -2.049 -4.422 1.00 0.00 N ATOM 432 CA PHE A 31 -8.048 -2.870 -5.509 1.00 0.00 C ATOM 433 C PHE A 31 -7.741 -4.289 -5.026 1.00 0.00 C ATOM 434 O PHE A 31 -8.035 -4.638 -3.884 1.00 0.00 O ATOM 435 CB PHE A 31 -6.752 -2.219 -5.997 1.00 0.00 C ATOM 436 CG PHE A 31 -6.965 -1.106 -7.026 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.189 -1.420 -8.330 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.928 0.196 -6.636 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.386 -0.387 -9.285 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.125 1.229 -7.591 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.350 0.915 -8.895 1.00 0.00 C ATOM 0 H PHE A 31 -7.902 -1.918 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.793 -2.937 -6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.217 -1.810 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.114 -2.987 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.217 -2.454 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.749 0.445 -5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.564 -0.636 -10.321 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.096 2.263 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.500 1.700 -9.621 1.00 0.00 H new ATOM 451 N LEU A 32 -7.154 -5.070 -5.922 1.00 0.00 N ATOM 452 CA LEU A 32 -6.804 -6.443 -5.602 1.00 0.00 C ATOM 453 C LEU A 32 -5.400 -6.744 -6.131 1.00 0.00 C ATOM 454 O LEU A 32 -5.081 -6.417 -7.273 1.00 0.00 O ATOM 455 CB LEU A 32 -7.876 -7.404 -6.120 1.00 0.00 C ATOM 456 CG LEU A 32 -9.152 -7.500 -5.282 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.388 -7.618 -6.176 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.061 -8.649 -4.275 1.00 0.00 C ATOM 0 H LEU A 32 -6.912 -4.778 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.775 -6.587 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.150 -7.100 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.438 -8.399 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.255 -6.578 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.281 -7.685 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.457 -6.740 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.307 -8.513 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.981 -8.695 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.921 -9.590 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.216 -8.481 -3.607 1.00 0.00 H new ATOM 470 N PHE A 33 -4.600 -7.364 -5.277 1.00 0.00 N ATOM 471 CA PHE A 33 -3.238 -7.712 -5.644 1.00 0.00 C ATOM 472 C PHE A 33 -2.850 -9.079 -5.078 1.00 0.00 C ATOM 473 O PHE A 33 -3.488 -9.575 -4.151 1.00 0.00 O ATOM 474 CB PHE A 33 -2.324 -6.645 -5.039 1.00 0.00 C ATOM 475 CG PHE A 33 -2.559 -5.238 -5.593 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.275 -4.963 -6.895 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.052 -4.262 -4.784 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.493 -3.658 -7.409 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.270 -2.956 -5.298 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.986 -2.682 -6.600 1.00 0.00 C ATOM 0 H PHE A 33 -4.869 -7.635 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.146 -7.758 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.468 -6.628 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.286 -6.926 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.884 -5.738 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.278 -4.480 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.267 -3.440 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.661 -2.181 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.152 -1.689 -6.991 1.00 0.00 H new ATOM 490 N SER A 34 -1.805 -9.650 -5.659 1.00 0.00 N ATOM 491 CA SER A 34 -1.324 -10.951 -5.224 1.00 0.00 C ATOM 492 C SER A 34 -0.041 -10.787 -4.406 1.00 0.00 C ATOM 493 O SER A 34 0.590 -9.732 -4.440 1.00 0.00 O ATOM 494 CB SER A 34 -1.078 -11.875 -6.418 1.00 0.00 C ATOM 495 OG SER A 34 0.195 -12.512 -6.347 1.00 0.00 O ATOM 0 H SER A 34 -1.278 -9.236 -6.428 1.00 0.00 H new ATOM 0 HA SER A 34 -2.091 -11.408 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.861 -12.633 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.144 -11.300 -7.341 1.00 0.00 H new ATOM 0 HG SER A 34 0.833 -12.033 -6.917 1.00 0.00 H new ATOM 501 N PRO A 35 0.315 -11.875 -3.672 1.00 0.00 N ATOM 502 CA PRO A 35 1.511 -11.863 -2.847 1.00 0.00 C ATOM 503 C PRO A 35 2.771 -11.987 -3.706 1.00 0.00 C ATOM 504 O PRO A 35 3.883 -11.812 -3.212 1.00 0.00 O ATOM 505 CB PRO A 35 1.334 -13.022 -1.881 1.00 0.00 C ATOM 506 CG PRO A 35 0.275 -13.921 -2.497 1.00 0.00 C ATOM 507 CD PRO A 35 -0.409 -13.142 -3.608 1.00 0.00 C ATOM 0 HA PRO A 35 1.639 -10.926 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.271 -13.561 -1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.022 -12.667 -0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.729 -14.830 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.450 -14.228 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.357 -13.676 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.465 -12.984 -3.389 1.00 0.00 H new ATOM 515 N ASN A 36 2.554 -12.288 -4.978 1.00 0.00 N ATOM 516 CA ASN A 36 3.658 -12.438 -5.911 1.00 0.00 C ATOM 517 C ASN A 36 3.837 -11.137 -6.696 1.00 0.00 C ATOM 518 O ASN A 36 4.808 -10.981 -7.434 1.00 0.00 O ATOM 519 CB ASN A 36 3.384 -13.561 -6.913 1.00 0.00 C ATOM 520 CG ASN A 36 3.796 -14.919 -6.340 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.881 -15.421 -6.584 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.873 -15.483 -5.568 1.00 0.00 N ATOM 0 H ASN A 36 1.630 -12.432 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 36 4.554 -12.677 -5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.324 -13.576 -7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.931 -13.371 -7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.052 -16.391 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.985 -15.008 -5.405 1.00 0.00 H new ATOM 529 N ASP A 37 2.884 -10.235 -6.510 1.00 0.00 N ATOM 530 CA ASP A 37 2.924 -8.953 -7.192 1.00 0.00 C ATOM 531 C ASP A 37 3.864 -8.009 -6.439 1.00 0.00 C ATOM 532 O ASP A 37 3.875 -7.989 -5.209 1.00 0.00 O ATOM 533 CB ASP A 37 1.537 -8.306 -7.231 1.00 0.00 C ATOM 534 CG ASP A 37 0.590 -8.873 -8.290 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.080 -9.660 -9.128 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.604 -8.506 -8.238 1.00 0.00 O ATOM 0 H ASP A 37 2.080 -10.367 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 37 3.271 -9.124 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.072 -8.419 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.656 -7.237 -7.406 1.00 0.00 H new ATOM 541 N SER A 38 4.630 -7.250 -7.209 1.00 0.00 N ATOM 542 CA SER A 38 5.571 -6.306 -6.631 1.00 0.00 C ATOM 543 C SER A 38 4.956 -4.906 -6.599 1.00 0.00 C ATOM 544 O SER A 38 4.006 -4.625 -7.328 1.00 0.00 O ATOM 545 CB SER A 38 6.886 -6.291 -7.413 1.00 0.00 C ATOM 546 OG SER A 38 6.676 -6.081 -8.807 1.00 0.00 O ATOM 0 H SER A 38 4.618 -7.270 -8.229 1.00 0.00 H new ATOM 0 HA SER A 38 5.790 -6.622 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.532 -5.505 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.408 -7.236 -7.263 1.00 0.00 H new ATOM 0 HG SER A 38 5.820 -6.477 -9.072 1.00 0.00 H new ATOM 552 N ALA A 39 5.522 -4.065 -5.747 1.00 0.00 N ATOM 553 CA ALA A 39 5.041 -2.701 -5.610 1.00 0.00 C ATOM 554 C ALA A 39 4.758 -2.123 -6.998 1.00 0.00 C ATOM 555 O ALA A 39 3.710 -1.519 -7.222 1.00 0.00 O ATOM 556 CB ALA A 39 6.066 -1.873 -4.832 1.00 0.00 C ATOM 0 H ALA A 39 6.310 -4.302 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 39 4.108 -2.678 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.705 -0.850 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.210 -2.308 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.015 -1.871 -5.369 1.00 0.00 H new ATOM 562 N SER A 40 5.711 -2.329 -7.895 1.00 0.00 N ATOM 563 CA SER A 40 5.578 -1.836 -9.256 1.00 0.00 C ATOM 564 C SER A 40 4.216 -2.237 -9.826 1.00 0.00 C ATOM 565 O SER A 40 3.383 -1.379 -10.114 1.00 0.00 O ATOM 566 CB SER A 40 6.703 -2.365 -10.146 1.00 0.00 C ATOM 567 OG SER A 40 7.989 -1.979 -9.668 1.00 0.00 O ATOM 0 H SER A 40 6.579 -2.831 -7.706 1.00 0.00 H new ATOM 0 HA SER A 40 5.650 -0.749 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.646 -3.452 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.567 -1.993 -11.162 1.00 0.00 H new ATOM 0 HG SER A 40 8.680 -2.338 -10.263 1.00 0.00 H new ATOM 573 N ASP A 41 4.032 -3.541 -9.973 1.00 0.00 N ATOM 574 CA ASP A 41 2.786 -4.066 -10.504 1.00 0.00 C ATOM 575 C ASP A 41 1.612 -3.305 -9.885 1.00 0.00 C ATOM 576 O ASP A 41 0.676 -2.923 -10.586 1.00 0.00 O ATOM 577 CB ASP A 41 2.623 -5.548 -10.161 1.00 0.00 C ATOM 578 CG ASP A 41 3.553 -6.494 -10.922 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.177 -6.873 -12.053 1.00 0.00 O ATOM 580 OD2 ASP A 41 4.620 -6.817 -10.357 1.00 0.00 O ATOM 0 H ASP A 41 4.726 -4.250 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 41 2.804 -3.946 -11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.792 -5.679 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.592 -5.840 -10.359 1.00 0.00 H new ATOM 585 N ILE A 42 1.700 -3.108 -8.578 1.00 0.00 N ATOM 586 CA ILE A 42 0.656 -2.400 -7.856 1.00 0.00 C ATOM 587 C ILE A 42 0.552 -0.970 -8.392 1.00 0.00 C ATOM 588 O ILE A 42 -0.374 -0.649 -9.137 1.00 0.00 O ATOM 589 CB ILE A 42 0.902 -2.474 -6.348 1.00 0.00 C ATOM 590 CG1 ILE A 42 1.011 -3.927 -5.881 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.172 -1.704 -5.578 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.172 -4.004 -4.362 1.00 0.00 C ATOM 0 H ILE A 42 2.478 -3.426 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.311 -2.875 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 42 1.857 -1.994 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.121 -4.478 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.862 -4.405 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.027 -1.773 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.158 -0.658 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.151 -2.132 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.247 -5.048 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.076 -3.473 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.308 -3.546 -3.881 1.00 0.00 H new ATOM 604 N ALA A 43 1.513 -0.151 -7.993 1.00 0.00 N ATOM 605 CA ALA A 43 1.540 1.237 -8.424 1.00 0.00 C ATOM 606 C ALA A 43 1.146 1.315 -9.900 1.00 0.00 C ATOM 607 O ALA A 43 0.216 2.037 -10.260 1.00 0.00 O ATOM 608 CB ALA A 43 2.927 1.826 -8.159 1.00 0.00 C ATOM 0 H ALA A 43 2.279 -0.421 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 43 0.820 1.829 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.948 2.867 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.147 1.772 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.675 1.259 -8.713 1.00 0.00 H new ATOM 614 N LYS A 44 1.871 0.563 -10.715 1.00 0.00 N ATOM 615 CA LYS A 44 1.608 0.539 -12.144 1.00 0.00 C ATOM 616 C LYS A 44 0.134 0.202 -12.381 1.00 0.00 C ATOM 617 O LYS A 44 -0.584 0.965 -13.026 1.00 0.00 O ATOM 618 CB LYS A 44 2.577 -0.410 -12.851 1.00 0.00 C ATOM 619 CG LYS A 44 4.010 0.124 -12.791 1.00 0.00 C ATOM 620 CD LYS A 44 4.729 -0.083 -14.125 1.00 0.00 C ATOM 621 CE LYS A 44 5.226 -1.523 -14.262 1.00 0.00 C ATOM 622 NZ LYS A 44 6.127 -1.652 -15.429 1.00 0.00 N ATOM 0 H LYS A 44 2.641 -0.034 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 44 1.785 1.522 -12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.532 -1.394 -12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.275 -0.535 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.996 1.185 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.558 -0.383 -11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.053 0.152 -14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.571 0.605 -14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.752 -1.820 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.377 -2.198 -14.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.455 -2.636 -15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.614 -1.388 -16.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.946 -1.023 -15.307 1.00 0.00 H new ATOM 636 N HIS A 45 -0.272 -0.940 -11.847 1.00 0.00 N ATOM 637 CA HIS A 45 -1.647 -1.387 -11.993 1.00 0.00 C ATOM 638 C HIS A 45 -2.597 -0.217 -11.732 1.00 0.00 C ATOM 639 O HIS A 45 -3.367 0.169 -12.610 1.00 0.00 O ATOM 640 CB HIS A 45 -1.925 -2.590 -11.089 1.00 0.00 C ATOM 641 CG HIS A 45 -3.372 -3.023 -11.072 1.00 0.00 C ATOM 642 ND1 HIS A 45 -3.792 -4.252 -11.550 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.490 -2.379 -10.630 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.106 -4.333 -11.398 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.536 -3.171 -10.828 1.00 0.00 N ATOM 0 H HIS A 45 0.327 -1.569 -11.313 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.817 -1.727 -13.015 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.309 -3.428 -11.416 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.617 -2.346 -10.072 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.519 -1.392 -10.193 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.727 -5.172 -11.676 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.503 -2.947 -10.593 1.00 0.00 H new ATOM 653 N VAL A 46 -2.512 0.315 -10.522 1.00 0.00 N ATOM 654 CA VAL A 46 -3.354 1.433 -10.135 1.00 0.00 C ATOM 655 C VAL A 46 -3.409 2.446 -11.281 1.00 0.00 C ATOM 656 O VAL A 46 -4.468 2.670 -11.866 1.00 0.00 O ATOM 657 CB VAL A 46 -2.849 2.041 -8.825 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.576 3.350 -8.511 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.988 1.046 -7.670 1.00 0.00 C ATOM 0 H VAL A 46 -1.872 -0.008 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.374 1.095 -9.949 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.790 2.268 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.198 3.761 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.404 4.064 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.645 3.159 -8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.622 1.503 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.037 0.774 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.404 0.152 -7.888 1.00 0.00 H new ATOM 669 N TYR A 47 -2.255 3.030 -11.567 1.00 0.00 N ATOM 670 CA TYR A 47 -2.159 4.013 -12.633 1.00 0.00 C ATOM 671 C TYR A 47 -2.744 3.468 -13.937 1.00 0.00 C ATOM 672 O TYR A 47 -3.674 4.048 -14.495 1.00 0.00 O ATOM 673 CB TYR A 47 -0.665 4.277 -12.829 1.00 0.00 C ATOM 674 CG TYR A 47 -0.343 5.678 -13.353 1.00 0.00 C ATOM 675 CD1 TYR A 47 -0.907 6.120 -14.532 1.00 0.00 C ATOM 676 CD2 TYR A 47 0.510 6.501 -12.645 1.00 0.00 C ATOM 677 CE1 TYR A 47 -0.605 7.439 -15.025 1.00 0.00 C ATOM 678 CE2 TYR A 47 0.812 7.819 -13.138 1.00 0.00 C ATOM 679 CZ TYR A 47 0.240 8.224 -14.304 1.00 0.00 C ATOM 680 OH TYR A 47 0.525 9.469 -14.769 1.00 0.00 O ATOM 0 H TYR A 47 -1.379 2.842 -11.080 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.713 4.915 -12.374 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.153 4.130 -11.878 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.265 3.539 -13.524 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.575 5.477 -15.085 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.951 6.156 -11.721 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.040 7.797 -15.947 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.478 8.472 -12.594 1.00 0.00 H new ATOM 0 HH TYR A 47 1.141 9.916 -14.151 1.00 0.00 H new ATOM 690 N ASP A 48 -2.174 2.358 -14.385 1.00 0.00 N ATOM 691 CA ASP A 48 -2.628 1.728 -15.613 1.00 0.00 C ATOM 692 C ASP A 48 -4.155 1.648 -15.607 1.00 0.00 C ATOM 693 O ASP A 48 -4.811 2.165 -16.511 1.00 0.00 O ATOM 694 CB ASP A 48 -2.081 0.304 -15.736 1.00 0.00 C ATOM 695 CG ASP A 48 -0.815 0.168 -16.584 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.920 0.420 -17.804 1.00 0.00 O ATOM 697 OD2 ASP A 48 0.229 -0.184 -15.994 1.00 0.00 O ATOM 0 H ASP A 48 -1.403 1.880 -13.920 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.270 2.326 -16.451 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.873 -0.077 -14.736 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.857 -0.331 -16.164 1.00 0.00 H new ATOM 702 N ASN A 49 -4.678 0.998 -14.578 1.00 0.00 N ATOM 703 CA ASN A 49 -6.117 0.844 -14.442 1.00 0.00 C ATOM 704 C ASN A 49 -6.712 2.136 -13.880 1.00 0.00 C ATOM 705 O ASN A 49 -6.896 2.264 -12.670 1.00 0.00 O ATOM 706 CB ASN A 49 -6.461 -0.293 -13.479 1.00 0.00 C ATOM 707 CG ASN A 49 -6.461 -1.642 -14.201 1.00 0.00 C ATOM 708 OD1 ASN A 49 -7.491 -2.167 -14.590 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.251 -2.172 -14.357 1.00 0.00 N ATOM 0 H ASN A 49 -4.131 0.572 -13.830 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.527 0.618 -15.427 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.739 -0.314 -12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.440 -0.114 -13.035 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.145 -3.071 -14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.429 -1.679 -14.007 1.00 0.00 H new ATOM 716 N TRP A 50 -6.997 3.062 -14.784 1.00 0.00 N ATOM 717 CA TRP A 50 -7.568 4.339 -14.393 1.00 0.00 C ATOM 718 C TRP A 50 -7.743 5.185 -15.656 1.00 0.00 C ATOM 719 O TRP A 50 -6.772 5.473 -16.354 1.00 0.00 O ATOM 720 CB TRP A 50 -6.706 5.023 -13.330 1.00 0.00 C ATOM 721 CG TRP A 50 -7.140 4.728 -11.893 1.00 0.00 C ATOM 722 CD1 TRP A 50 -8.226 4.061 -11.479 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.449 5.120 -10.688 1.00 0.00 C ATOM 724 NE1 TRP A 50 -8.285 3.994 -10.102 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.170 4.659 -9.606 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.254 5.841 -10.519 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -6.778 4.868 -8.278 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -4.875 6.041 -9.186 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.590 5.583 -8.085 1.00 0.00 C ATOM 0 H TRP A 50 -6.843 2.953 -15.786 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.545 4.199 -13.929 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -5.671 4.707 -13.458 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.733 6.100 -13.493 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.963 3.630 -12.140 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.013 3.540 -9.550 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.674 6.211 -11.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.361 4.498 -7.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.963 6.589 -9.000 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.231 5.778 -7.085 1.00 0.00 H new ATOM 740 N PRO A 51 -9.020 5.571 -15.918 1.00 0.00 N ATOM 741 CA PRO A 51 -9.334 6.378 -17.084 1.00 0.00 C ATOM 742 C PRO A 51 -8.902 7.831 -16.878 1.00 0.00 C ATOM 743 O PRO A 51 -8.622 8.246 -15.754 1.00 0.00 O ATOM 744 CB PRO A 51 -10.835 6.227 -17.275 1.00 0.00 C ATOM 745 CG PRO A 51 -11.375 5.722 -15.947 1.00 0.00 C ATOM 746 CD PRO A 51 -10.195 5.250 -15.113 1.00 0.00 C ATOM 0 HA PRO A 51 -8.797 6.054 -17.976 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.292 7.179 -17.546 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.058 5.526 -18.079 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.916 6.514 -15.429 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.080 4.906 -16.107 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.164 5.756 -14.148 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.256 4.181 -14.910 1.00 0.00 H new ATOM 754 N MET A 52 -8.860 8.565 -17.980 1.00 0.00 N ATOM 755 CA MET A 52 -8.466 9.963 -17.935 1.00 0.00 C ATOM 756 C MET A 52 -6.966 10.101 -17.665 1.00 0.00 C ATOM 757 O MET A 52 -6.240 10.691 -18.464 1.00 0.00 O ATOM 758 CB MET A 52 -9.251 10.679 -16.834 1.00 0.00 C ATOM 759 CG MET A 52 -9.241 12.193 -17.050 1.00 0.00 C ATOM 760 SD MET A 52 -10.421 12.973 -15.961 1.00 0.00 S ATOM 761 CE MET A 52 -9.499 14.430 -15.498 1.00 0.00 C ATOM 0 H MET A 52 -9.093 8.218 -18.910 1.00 0.00 H new ATOM 0 HA MET A 52 -8.685 10.415 -18.902 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.279 10.317 -16.821 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.818 10.444 -15.862 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.243 12.589 -16.862 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.484 12.422 -18.087 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.094 15.035 -14.814 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.572 14.133 -15.007 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.267 15.012 -16.390 1.00 0.00 H new ATOM 771 N ASP A 53 -6.547 9.547 -16.537 1.00 0.00 N ATOM 772 CA ASP A 53 -5.146 9.602 -16.152 1.00 0.00 C ATOM 773 C ASP A 53 -4.729 11.062 -15.966 1.00 0.00 C ATOM 774 O ASP A 53 -5.200 11.942 -16.685 1.00 0.00 O ATOM 775 CB ASP A 53 -4.254 8.989 -17.233 1.00 0.00 C ATOM 776 CG ASP A 53 -4.535 7.518 -17.548 1.00 0.00 C ATOM 777 OD1 ASP A 53 -4.336 6.694 -16.630 1.00 0.00 O ATOM 778 OD2 ASP A 53 -4.944 7.252 -18.699 1.00 0.00 O ATOM 0 H ASP A 53 -7.152 9.058 -15.877 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.028 9.040 -15.226 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.368 9.569 -18.149 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.214 9.086 -16.922 1.00 0.00 H new ATOM 783 N TRP A 54 -3.850 11.274 -14.998 1.00 0.00 N ATOM 784 CA TRP A 54 -3.364 12.612 -14.708 1.00 0.00 C ATOM 785 C TRP A 54 -3.028 13.291 -16.038 1.00 0.00 C ATOM 786 O TRP A 54 -2.574 12.637 -16.975 1.00 0.00 O ATOM 787 CB TRP A 54 -2.178 12.568 -13.743 1.00 0.00 C ATOM 788 CG TRP A 54 -2.558 12.802 -12.279 1.00 0.00 C ATOM 789 CD1 TRP A 54 -3.216 13.844 -11.754 1.00 0.00 C ATOM 790 CD2 TRP A 54 -2.273 11.927 -11.167 1.00 0.00 C ATOM 791 NE1 TRP A 54 -3.376 13.706 -10.390 1.00 0.00 N ATOM 792 CE2 TRP A 54 -2.784 12.503 -10.022 1.00 0.00 C ATOM 793 CE3 TRP A 54 -1.606 10.691 -11.130 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -2.682 11.914 -8.756 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -1.511 10.115 -9.857 1.00 0.00 C ATOM 796 CH2 TRP A 54 -2.021 10.682 -8.695 1.00 0.00 C ATOM 0 H TRP A 54 -3.462 10.541 -14.404 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.130 13.199 -14.201 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.688 11.598 -13.830 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.450 13.321 -14.044 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.576 14.686 -12.326 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.843 14.365 -9.767 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.199 10.222 -12.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.091 12.385 -7.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.006 9.164 -9.772 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.908 10.174 -7.749 1.00 0.00 H new ATOM 807 N GLU A 55 -3.265 14.594 -16.077 1.00 0.00 N ATOM 808 CA GLU A 55 -2.993 15.369 -17.276 1.00 0.00 C ATOM 809 C GLU A 55 -1.484 15.486 -17.501 1.00 0.00 C ATOM 810 O GLU A 55 -0.705 15.429 -16.551 1.00 0.00 O ATOM 811 CB GLU A 55 -3.645 16.751 -17.195 1.00 0.00 C ATOM 812 CG GLU A 55 -4.208 17.171 -18.554 1.00 0.00 C ATOM 813 CD GLU A 55 -5.722 16.952 -18.611 1.00 0.00 C ATOM 814 OE1 GLU A 55 -6.417 17.572 -17.777 1.00 0.00 O ATOM 815 OE2 GLU A 55 -6.150 16.170 -19.487 1.00 0.00 O ATOM 0 H GLU A 55 -3.642 15.133 -15.297 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.428 14.848 -18.129 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.445 16.737 -16.454 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.912 17.484 -16.859 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.982 18.221 -18.737 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.724 16.598 -19.345 1.00 0.00 H new ATOM 822 N GLU A 56 -1.117 15.648 -18.763 1.00 0.00 N ATOM 823 CA GLU A 56 0.284 15.775 -19.125 1.00 0.00 C ATOM 824 C GLU A 56 1.066 14.547 -18.655 1.00 0.00 C ATOM 825 O GLU A 56 0.532 13.703 -17.937 1.00 0.00 O ATOM 826 CB GLU A 56 0.885 17.060 -18.553 1.00 0.00 C ATOM 827 CG GLU A 56 1.314 18.011 -19.672 1.00 0.00 C ATOM 828 CD GLU A 56 0.096 18.612 -20.377 1.00 0.00 C ATOM 829 OE1 GLU A 56 -0.422 17.935 -21.291 1.00 0.00 O ATOM 830 OE2 GLU A 56 -0.289 19.735 -19.986 1.00 0.00 O ATOM 0 H GLU A 56 -1.766 15.694 -19.548 1.00 0.00 H new ATOM 0 HA GLU A 56 0.355 15.833 -20.211 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.154 17.553 -17.912 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.744 16.817 -17.928 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.931 18.809 -19.259 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.929 17.474 -20.394 1.00 0.00 H new ATOM 837 N GLU A 57 2.320 14.486 -19.078 1.00 0.00 N ATOM 838 CA GLU A 57 3.182 13.375 -18.709 1.00 0.00 C ATOM 839 C GLU A 57 2.630 12.065 -19.275 1.00 0.00 C ATOM 840 O GLU A 57 1.536 12.039 -19.836 1.00 0.00 O ATOM 841 CB GLU A 57 3.346 13.290 -17.191 1.00 0.00 C ATOM 842 CG GLU A 57 4.779 13.630 -16.774 1.00 0.00 C ATOM 843 CD GLU A 57 4.885 13.791 -15.256 1.00 0.00 C ATOM 844 OE1 GLU A 57 4.284 12.950 -14.553 1.00 0.00 O ATOM 845 OE2 GLU A 57 5.565 14.751 -14.834 1.00 0.00 O ATOM 0 H GLU A 57 2.760 15.188 -19.673 1.00 0.00 H new ATOM 0 HA GLU A 57 4.169 13.547 -19.139 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.650 13.976 -16.708 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.093 12.286 -16.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.455 12.843 -17.108 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.095 14.551 -17.264 1.00 0.00 H new ATOM 852 N GLN A 58 3.414 11.010 -19.109 1.00 0.00 N ATOM 853 CA GLN A 58 3.018 9.699 -19.597 1.00 0.00 C ATOM 854 C GLN A 58 4.118 8.674 -19.317 1.00 0.00 C ATOM 855 O GLN A 58 4.481 7.892 -20.194 1.00 0.00 O ATOM 856 CB GLN A 58 2.680 9.748 -21.088 1.00 0.00 C ATOM 857 CG GLN A 58 1.359 9.033 -21.375 1.00 0.00 C ATOM 858 CD GLN A 58 0.924 9.245 -22.827 1.00 0.00 C ATOM 859 OE1 GLN A 58 0.816 10.359 -23.313 1.00 0.00 O ATOM 860 NE2 GLN A 58 0.681 8.118 -23.489 1.00 0.00 N ATOM 0 H GLN A 58 4.321 11.036 -18.644 1.00 0.00 H new ATOM 0 HA GLN A 58 2.118 9.391 -19.065 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.615 10.786 -21.416 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.482 9.283 -21.662 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.468 7.967 -21.176 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.586 9.405 -20.702 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.791 7.218 -23.022 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.384 8.153 -24.464 1.00 0.00 H new ATOM 869 N VAL A 59 4.619 8.711 -18.091 1.00 0.00 N ATOM 870 CA VAL A 59 5.671 7.794 -17.684 1.00 0.00 C ATOM 871 C VAL A 59 5.253 7.083 -16.396 1.00 0.00 C ATOM 872 O VAL A 59 4.406 7.581 -15.655 1.00 0.00 O ATOM 873 CB VAL A 59 6.997 8.546 -17.549 1.00 0.00 C ATOM 874 CG1 VAL A 59 7.643 8.769 -18.918 1.00 0.00 C ATOM 875 CG2 VAL A 59 6.802 9.872 -16.812 1.00 0.00 C ATOM 0 H VAL A 59 4.316 9.361 -17.366 1.00 0.00 H new ATOM 0 HA VAL A 59 5.823 7.027 -18.443 1.00 0.00 H new ATOM 0 HB VAL A 59 7.673 7.930 -16.956 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.584 9.305 -18.793 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.834 7.806 -19.391 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.972 9.355 -19.546 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.759 10.387 -16.729 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.101 10.496 -17.366 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.407 9.679 -15.815 1.00 0.00 H new ATOM 885 N SER A 60 5.865 5.931 -16.168 1.00 0.00 N ATOM 886 CA SER A 60 5.566 5.147 -14.982 1.00 0.00 C ATOM 887 C SER A 60 6.847 4.505 -14.443 1.00 0.00 C ATOM 888 O SER A 60 6.806 3.417 -13.869 1.00 0.00 O ATOM 889 CB SER A 60 4.519 4.072 -15.281 1.00 0.00 C ATOM 890 OG SER A 60 3.330 4.258 -14.517 1.00 0.00 O ATOM 0 H SER A 60 6.567 5.521 -16.784 1.00 0.00 H new ATOM 0 HA SER A 60 5.155 5.815 -14.225 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.274 4.090 -16.343 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.938 3.089 -15.067 1.00 0.00 H new ATOM 0 HG SER A 60 2.686 3.553 -14.737 1.00 0.00 H new ATOM 896 N SER A 61 7.953 5.205 -14.646 1.00 0.00 N ATOM 897 CA SER A 61 9.242 4.717 -14.188 1.00 0.00 C ATOM 898 C SER A 61 9.197 4.455 -12.681 1.00 0.00 C ATOM 899 O SER A 61 8.479 5.135 -11.950 1.00 0.00 O ATOM 900 CB SER A 61 10.357 5.711 -14.521 1.00 0.00 C ATOM 901 OG SER A 61 10.942 5.451 -15.794 1.00 0.00 O ATOM 0 H SER A 61 7.983 6.107 -15.122 1.00 0.00 H new ATOM 0 HA SER A 61 9.458 3.783 -14.706 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.955 6.724 -14.507 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.127 5.663 -13.751 1.00 0.00 H new ATOM 0 HG SER A 61 11.648 6.108 -15.970 1.00 0.00 H new ATOM 907 N PRO A 62 9.995 3.441 -12.250 1.00 0.00 N ATOM 908 CA PRO A 62 10.053 3.081 -10.844 1.00 0.00 C ATOM 909 C PRO A 62 10.866 4.105 -10.049 1.00 0.00 C ATOM 910 O PRO A 62 10.826 4.114 -8.819 1.00 0.00 O ATOM 911 CB PRO A 62 10.663 1.689 -10.819 1.00 0.00 C ATOM 912 CG PRO A 62 11.350 1.511 -12.164 1.00 0.00 C ATOM 913 CD PRO A 62 10.859 2.614 -13.087 1.00 0.00 C ATOM 0 HA PRO A 62 9.072 3.080 -10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.376 1.589 -10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.896 0.929 -10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.433 1.563 -12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.120 0.532 -12.583 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.690 3.192 -13.490 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.313 2.205 -13.937 1.00 0.00 H new ATOM 921 N ASN A 63 11.584 4.941 -10.783 1.00 0.00 N ATOM 922 CA ASN A 63 12.405 5.967 -10.161 1.00 0.00 C ATOM 923 C ASN A 63 11.509 7.113 -9.687 1.00 0.00 C ATOM 924 O ASN A 63 11.726 7.670 -8.612 1.00 0.00 O ATOM 925 CB ASN A 63 13.418 6.539 -11.155 1.00 0.00 C ATOM 926 CG ASN A 63 14.305 5.433 -11.731 1.00 0.00 C ATOM 927 OD1 ASN A 63 15.202 4.920 -11.083 1.00 0.00 O ATOM 928 ND2 ASN A 63 14.006 5.096 -12.983 1.00 0.00 N ATOM 0 H ASN A 63 11.615 4.930 -11.802 1.00 0.00 H new ATOM 0 HA ASN A 63 12.937 5.513 -9.325 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.892 7.047 -11.964 1.00 0.00 H new ATOM 0 HB3 ASN A 63 14.038 7.286 -10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.541 4.368 -13.457 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.242 5.565 -13.469 1.00 0.00 H new ATOM 935 N ILE A 64 10.523 7.431 -10.512 1.00 0.00 N ATOM 936 CA ILE A 64 9.593 8.500 -10.190 1.00 0.00 C ATOM 937 C ILE A 64 8.264 7.895 -9.734 1.00 0.00 C ATOM 938 O ILE A 64 7.244 8.054 -10.402 1.00 0.00 O ATOM 939 CB ILE A 64 9.457 9.465 -11.369 1.00 0.00 C ATOM 940 CG1 ILE A 64 9.068 8.718 -12.647 1.00 0.00 C ATOM 941 CG2 ILE A 64 10.733 10.289 -11.553 1.00 0.00 C ATOM 942 CD1 ILE A 64 7.900 9.410 -13.352 1.00 0.00 C ATOM 0 H ILE A 64 10.348 6.967 -11.403 1.00 0.00 H new ATOM 0 HA ILE A 64 9.972 9.097 -9.361 1.00 0.00 H new ATOM 0 HB ILE A 64 8.651 10.164 -11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.925 8.668 -13.319 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.794 7.692 -12.403 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.610 10.967 -12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.926 10.867 -10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.573 9.621 -11.743 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.643 8.859 -14.257 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.037 9.436 -12.686 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.186 10.428 -13.616 1.00 0.00 H new ATOM 954 N LEU A 65 8.319 7.214 -8.599 1.00 0.00 N ATOM 955 CA LEU A 65 7.132 6.584 -8.046 1.00 0.00 C ATOM 956 C LEU A 65 7.515 5.800 -6.789 1.00 0.00 C ATOM 957 O LEU A 65 8.520 5.091 -6.778 1.00 0.00 O ATOM 958 CB LEU A 65 6.429 5.738 -9.109 1.00 0.00 C ATOM 959 CG LEU A 65 6.377 4.233 -8.841 1.00 0.00 C ATOM 960 CD1 LEU A 65 5.320 3.900 -7.786 1.00 0.00 C ATOM 961 CD2 LEU A 65 6.156 3.453 -10.139 1.00 0.00 C ATOM 0 H LEU A 65 9.167 7.085 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 65 6.406 7.339 -7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.408 6.103 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.930 5.900 -10.064 1.00 0.00 H new ATOM 0 HG LEU A 65 7.342 3.924 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.304 2.824 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.561 4.412 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.341 4.226 -8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.123 2.386 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.213 3.760 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.974 3.657 -10.830 1.00 0.00 H new ATOM 973 N ARG A 66 6.693 5.953 -5.761 1.00 0.00 N ATOM 974 CA ARG A 66 6.932 5.267 -4.503 1.00 0.00 C ATOM 975 C ARG A 66 5.612 5.030 -3.767 1.00 0.00 C ATOM 976 O ARG A 66 4.789 5.937 -3.655 1.00 0.00 O ATOM 977 CB ARG A 66 7.871 6.076 -3.605 1.00 0.00 C ATOM 978 CG ARG A 66 9.323 5.629 -3.786 1.00 0.00 C ATOM 979 CD ARG A 66 9.982 5.347 -2.434 1.00 0.00 C ATOM 980 NE ARG A 66 11.331 5.956 -2.393 1.00 0.00 N ATOM 981 CZ ARG A 66 12.232 5.719 -1.430 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.934 4.887 -0.423 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.431 6.316 -1.473 1.00 0.00 N ATOM 0 H ARG A 66 5.861 6.542 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 66 7.400 4.310 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.781 7.136 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.577 5.955 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.357 4.733 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.882 6.402 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.367 5.750 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.054 4.271 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 66 11.590 6.595 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.021 4.434 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.620 4.707 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.658 6.951 -2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.117 6.136 -0.740 1.00 0.00 H new ATOM 997 N LEU A 67 5.451 3.807 -3.285 1.00 0.00 N ATOM 998 CA LEU A 67 4.244 3.440 -2.563 1.00 0.00 C ATOM 999 C LEU A 67 4.482 3.609 -1.061 1.00 0.00 C ATOM 1000 O LEU A 67 5.429 3.047 -0.512 1.00 0.00 O ATOM 1001 CB LEU A 67 3.790 2.034 -2.959 1.00 0.00 C ATOM 1002 CG LEU A 67 3.328 1.130 -1.814 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.038 1.659 -1.185 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.185 -0.319 -2.282 1.00 0.00 C ATOM 0 H LEU A 67 6.136 3.057 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 67 3.422 4.103 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.973 2.126 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.613 1.540 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 67 4.094 1.143 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.731 0.998 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.209 2.661 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.253 1.695 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.856 -0.940 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.451 -0.371 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.147 -0.681 -2.646 1.00 0.00 H new ATOM 1016 N ILE A 68 3.607 4.385 -0.440 1.00 0.00 N ATOM 1017 CA ILE A 68 3.710 4.635 0.988 1.00 0.00 C ATOM 1018 C ILE A 68 2.780 3.679 1.737 1.00 0.00 C ATOM 1019 O ILE A 68 1.663 3.418 1.292 1.00 0.00 O ATOM 1020 CB ILE A 68 3.450 6.112 1.293 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.600 6.986 0.789 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.180 6.324 2.785 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.236 7.659 -0.536 1.00 0.00 C ATOM 0 H ILE A 68 2.823 4.849 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 68 4.723 4.434 1.338 1.00 0.00 H new ATOM 0 HB ILE A 68 2.553 6.419 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.838 7.746 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.494 6.377 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.998 7.382 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.305 5.746 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.045 5.995 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.070 8.275 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.022 6.896 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.356 8.286 -0.396 1.00 0.00 H new ATOM 1035 N TYR A 69 3.274 3.184 2.863 1.00 0.00 N ATOM 1036 CA TYR A 69 2.500 2.263 3.678 1.00 0.00 C ATOM 1037 C TYR A 69 2.647 2.591 5.165 1.00 0.00 C ATOM 1038 O TYR A 69 3.753 2.569 5.703 1.00 0.00 O ATOM 1039 CB TYR A 69 3.085 0.874 3.414 1.00 0.00 C ATOM 1040 CG TYR A 69 2.356 -0.257 4.143 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.056 -0.076 4.571 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.997 -1.457 4.372 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.370 -1.140 5.257 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.311 -2.521 5.058 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.031 -2.310 5.467 1.00 0.00 C ATOM 1046 OH TYR A 69 0.383 -3.315 6.114 1.00 0.00 O ATOM 0 H TYR A 69 4.200 3.403 3.230 1.00 0.00 H new ATOM 0 HA TYR A 69 1.441 2.325 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.059 0.678 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.133 0.869 3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.554 0.863 4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.014 -1.598 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.647 -1.012 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.802 -3.465 5.244 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.578 -3.255 5.933 1.00 0.00 H new ATOM 1056 N GLN A 70 1.516 2.887 5.787 1.00 0.00 N ATOM 1057 CA GLN A 70 1.504 3.220 7.202 1.00 0.00 C ATOM 1058 C GLN A 70 2.384 4.443 7.467 1.00 0.00 C ATOM 1059 O GLN A 70 2.810 4.673 8.598 1.00 0.00 O ATOM 1060 CB GLN A 70 1.953 2.027 8.049 1.00 0.00 C ATOM 1061 CG GLN A 70 0.749 1.244 8.575 1.00 0.00 C ATOM 1062 CD GLN A 70 0.824 1.078 10.094 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.870 0.814 10.665 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.339 1.248 10.715 1.00 0.00 N ATOM 0 H GLN A 70 0.601 2.903 5.337 1.00 0.00 H new ATOM 0 HA GLN A 70 0.481 3.464 7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.586 1.370 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.557 2.377 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.172 1.763 8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.712 0.264 8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.177 1.468 10.177 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.393 1.159 11.730 1.00 0.00 H new ATOM 1073 N GLY A 71 2.631 5.196 6.405 1.00 0.00 N ATOM 1074 CA GLY A 71 3.452 6.390 6.508 1.00 0.00 C ATOM 1075 C GLY A 71 4.827 6.166 5.876 1.00 0.00 C ATOM 1076 O GLY A 71 5.409 7.087 5.305 1.00 0.00 O ATOM 0 H GLY A 71 2.277 5.002 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.952 7.223 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.570 6.665 7.556 1.00 0.00 H new ATOM 1080 N ARG A 72 5.307 4.937 5.999 1.00 0.00 N ATOM 1081 CA ARG A 72 6.603 4.580 5.447 1.00 0.00 C ATOM 1082 C ARG A 72 6.485 4.319 3.944 1.00 0.00 C ATOM 1083 O ARG A 72 5.396 4.404 3.379 1.00 0.00 O ATOM 1084 CB ARG A 72 7.169 3.335 6.132 1.00 0.00 C ATOM 1085 CG ARG A 72 8.049 3.717 7.324 1.00 0.00 C ATOM 1086 CD ARG A 72 9.032 2.594 7.662 1.00 0.00 C ATOM 1087 NE ARG A 72 9.933 3.023 8.755 1.00 0.00 N ATOM 1088 CZ ARG A 72 10.906 2.258 9.269 1.00 0.00 C ATOM 1089 NH1 ARG A 72 11.110 1.023 8.793 1.00 0.00 N ATOM 1090 NH2 ARG A 72 11.675 2.730 10.260 1.00 0.00 N ATOM 0 H ARG A 72 4.821 4.176 6.473 1.00 0.00 H new ATOM 0 HA ARG A 72 7.280 5.416 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.351 2.697 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.752 2.755 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.599 4.630 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.422 3.929 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.486 1.699 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.616 2.333 6.780 1.00 0.00 H new ATOM 0 HE ARG A 72 9.806 3.959 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.525 0.664 8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.851 0.441 9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.519 3.671 10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.416 2.149 10.652 1.00 0.00 H new ATOM 1104 N PHE A 73 7.622 4.006 3.340 1.00 0.00 N ATOM 1105 CA PHE A 73 7.661 3.732 1.913 1.00 0.00 C ATOM 1106 C PHE A 73 8.144 2.306 1.642 1.00 0.00 C ATOM 1107 O PHE A 73 9.119 1.853 2.240 1.00 0.00 O ATOM 1108 CB PHE A 73 8.651 4.721 1.294 1.00 0.00 C ATOM 1109 CG PHE A 73 8.235 6.186 1.431 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.289 6.798 2.644 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.811 6.878 0.339 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.902 8.159 2.771 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.424 8.238 0.466 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.478 8.850 1.679 1.00 0.00 C ATOM 0 H PHE A 73 8.523 3.936 3.813 1.00 0.00 H new ATOM 0 HA PHE A 73 6.663 3.836 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.625 4.585 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.771 4.485 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.626 6.249 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.769 6.393 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.944 8.645 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.087 8.787 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.184 9.885 1.775 1.00 0.00 H new ATOM 1124 N LEU A 74 7.441 1.638 0.740 1.00 0.00 N ATOM 1125 CA LEU A 74 7.786 0.273 0.382 1.00 0.00 C ATOM 1126 C LEU A 74 8.693 0.288 -0.850 1.00 0.00 C ATOM 1127 O LEU A 74 8.562 1.155 -1.712 1.00 0.00 O ATOM 1128 CB LEU A 74 6.522 -0.571 0.205 1.00 0.00 C ATOM 1129 CG LEU A 74 5.697 -0.815 1.470 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.455 -1.653 1.161 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.553 -1.443 2.571 1.00 0.00 C ATOM 0 H LEU A 74 6.633 2.017 0.246 1.00 0.00 H new ATOM 0 HA LEU A 74 8.348 -0.202 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.884 -0.084 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.809 -1.537 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 74 5.351 0.149 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.886 -1.812 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.834 -1.129 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.759 -2.616 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.942 -1.606 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.950 -2.397 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.378 -0.774 2.816 1.00 0.00 H new ATOM 1143 N HIS A 75 9.594 -0.683 -0.894 1.00 0.00 N ATOM 1144 CA HIS A 75 10.522 -0.793 -2.007 1.00 0.00 C ATOM 1145 C HIS A 75 9.763 -1.205 -3.270 1.00 0.00 C ATOM 1146 O HIS A 75 8.648 -1.719 -3.189 1.00 0.00 O ATOM 1147 CB HIS A 75 11.668 -1.748 -1.665 1.00 0.00 C ATOM 1148 CG HIS A 75 13.029 -1.252 -2.093 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.645 -1.667 -3.261 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.884 -0.372 -1.498 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.818 -1.058 -3.354 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.965 -0.257 -2.260 1.00 0.00 N ATOM 0 H HIS A 75 9.701 -1.400 -0.177 1.00 0.00 H new ATOM 0 HA HIS A 75 10.980 0.177 -2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.677 -1.918 -0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.478 -2.711 -2.138 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.711 0.144 -0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.532 -1.175 -4.155 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.773 0.333 -2.060 1.00 0.00 H new ATOM 1160 N GLY A 76 10.398 -0.965 -4.408 1.00 0.00 N ATOM 1161 CA GLY A 76 9.797 -1.304 -5.686 1.00 0.00 C ATOM 1162 C GLY A 76 9.961 -2.795 -5.990 1.00 0.00 C ATOM 1163 O GLY A 76 9.268 -3.336 -6.850 1.00 0.00 O ATOM 0 H GLY A 76 11.323 -0.540 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.738 -1.046 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.260 -0.715 -6.478 1.00 0.00 H new ATOM 1167 N ASN A 77 10.882 -3.416 -5.268 1.00 0.00 N ATOM 1168 CA ASN A 77 11.146 -4.833 -5.450 1.00 0.00 C ATOM 1169 C ASN A 77 10.330 -5.634 -4.434 1.00 0.00 C ATOM 1170 O ASN A 77 10.148 -6.840 -4.591 1.00 0.00 O ATOM 1171 CB ASN A 77 12.625 -5.151 -5.225 1.00 0.00 C ATOM 1172 CG ASN A 77 13.216 -5.891 -6.427 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.546 -6.640 -7.118 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.505 -5.641 -6.636 1.00 0.00 N ATOM 0 H ASN A 77 11.455 -2.964 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 77 10.872 -5.099 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.177 -4.227 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.737 -5.759 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.992 -6.087 -7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.007 -5.003 -6.019 1.00 0.00 H new ATOM 1181 N VAL A 78 9.860 -4.931 -3.414 1.00 0.00 N ATOM 1182 CA VAL A 78 9.068 -5.561 -2.372 1.00 0.00 C ATOM 1183 C VAL A 78 7.841 -6.225 -3.001 1.00 0.00 C ATOM 1184 O VAL A 78 7.371 -5.798 -4.054 1.00 0.00 O ATOM 1185 CB VAL A 78 8.706 -4.535 -1.296 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.487 -4.990 -0.492 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.898 -4.260 -0.377 1.00 0.00 C ATOM 0 H VAL A 78 10.013 -3.931 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 78 9.643 -6.343 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 78 8.447 -3.602 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.251 -4.243 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.634 -5.110 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.705 -5.942 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.614 -3.528 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.202 -5.186 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.729 -3.871 -0.965 1.00 0.00 H new ATOM 1197 N THR A 79 7.358 -7.259 -2.328 1.00 0.00 N ATOM 1198 CA THR A 79 6.195 -7.987 -2.808 1.00 0.00 C ATOM 1199 C THR A 79 5.270 -8.341 -1.643 1.00 0.00 C ATOM 1200 O THR A 79 5.732 -8.769 -0.586 1.00 0.00 O ATOM 1201 CB THR A 79 6.689 -9.208 -3.585 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.402 -9.972 -2.615 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.749 -8.850 -4.629 1.00 0.00 C ATOM 0 H THR A 79 7.750 -7.610 -1.454 1.00 0.00 H new ATOM 0 HA THR A 79 5.596 -7.376 -3.483 1.00 0.00 H new ATOM 0 HB THR A 79 5.844 -9.690 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.756 -10.784 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.065 -9.753 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.330 -8.144 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.609 -8.398 -4.134 1.00 0.00 H new ATOM 1211 N LEU A 80 3.979 -8.150 -1.875 1.00 0.00 N ATOM 1212 CA LEU A 80 2.984 -8.444 -0.857 1.00 0.00 C ATOM 1213 C LEU A 80 3.370 -9.734 -0.131 1.00 0.00 C ATOM 1214 O LEU A 80 3.152 -9.862 1.073 1.00 0.00 O ATOM 1215 CB LEU A 80 1.584 -8.480 -1.472 1.00 0.00 C ATOM 1216 CG LEU A 80 0.910 -7.123 -1.685 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.429 -7.284 -2.408 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.760 -6.371 -0.361 1.00 0.00 C ATOM 0 H LEU A 80 3.599 -7.795 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 80 2.958 -7.652 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.644 -8.988 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.943 -9.085 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 80 1.552 -6.519 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.887 -6.305 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.264 -7.749 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.091 -7.913 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.278 -5.410 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.151 -6.960 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.744 -6.207 0.078 1.00 0.00 H new ATOM 1230 N GLY A 81 3.938 -10.657 -0.893 1.00 0.00 N ATOM 1231 CA GLY A 81 4.356 -11.933 -0.336 1.00 0.00 C ATOM 1232 C GLY A 81 5.384 -11.734 0.780 1.00 0.00 C ATOM 1233 O GLY A 81 5.231 -12.277 1.873 1.00 0.00 O ATOM 0 H GLY A 81 4.119 -10.547 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.488 -12.465 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.784 -12.555 -1.123 1.00 0.00 H new ATOM 1237 N ALA A 82 6.407 -10.953 0.466 1.00 0.00 N ATOM 1238 CA ALA A 82 7.459 -10.675 1.429 1.00 0.00 C ATOM 1239 C ALA A 82 6.872 -9.900 2.611 1.00 0.00 C ATOM 1240 O ALA A 82 7.451 -9.882 3.696 1.00 0.00 O ATOM 1241 CB ALA A 82 8.594 -9.915 0.740 1.00 0.00 C ATOM 0 H ALA A 82 6.530 -10.504 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 82 7.877 -11.603 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.383 -9.706 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.996 -10.520 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.212 -8.976 0.339 1.00 0.00 H new ATOM 1247 N LEU A 83 5.729 -9.279 2.360 1.00 0.00 N ATOM 1248 CA LEU A 83 5.056 -8.504 3.389 1.00 0.00 C ATOM 1249 C LEU A 83 4.135 -9.424 4.193 1.00 0.00 C ATOM 1250 O LEU A 83 3.464 -8.978 5.122 1.00 0.00 O ATOM 1251 CB LEU A 83 4.340 -7.301 2.773 1.00 0.00 C ATOM 1252 CG LEU A 83 5.220 -6.325 1.990 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.384 -5.191 1.394 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.363 -5.798 2.861 1.00 0.00 C ATOM 0 H LEU A 83 5.252 -9.297 1.459 1.00 0.00 H new ATOM 0 HA LEU A 83 5.781 -8.088 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.560 -7.670 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.844 -6.751 3.572 1.00 0.00 H new ATOM 0 HG LEU A 83 5.672 -6.864 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.033 -4.511 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.636 -5.606 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.886 -4.646 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.974 -5.106 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.951 -5.280 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.979 -6.632 3.196 1.00 0.00 H new ATOM 1266 N LYS A 84 4.131 -10.691 3.805 1.00 0.00 N ATOM 1267 CA LYS A 84 3.303 -11.677 4.478 1.00 0.00 C ATOM 1268 C LYS A 84 2.025 -11.004 4.982 1.00 0.00 C ATOM 1269 O LYS A 84 1.620 -11.211 6.125 1.00 0.00 O ATOM 1270 CB LYS A 84 4.099 -12.386 5.575 1.00 0.00 C ATOM 1271 CG LYS A 84 4.790 -11.375 6.492 1.00 0.00 C ATOM 1272 CD LYS A 84 3.804 -10.789 7.505 1.00 0.00 C ATOM 1273 CE LYS A 84 4.540 -10.217 8.718 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.577 -9.829 9.773 1.00 0.00 N ATOM 0 H LYS A 84 4.688 -11.057 3.033 1.00 0.00 H new ATOM 0 HA LYS A 84 2.999 -12.459 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.433 -13.018 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.844 -13.041 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.613 -11.859 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.222 -10.573 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.213 -10.005 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.107 -11.562 7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.238 -10.957 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.129 -9.350 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.093 -9.443 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.927 -9.107 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.033 -10.664 10.071 1.00 0.00 H new ATOM 1288 N LEU A 85 1.425 -10.213 4.105 1.00 0.00 N ATOM 1289 CA LEU A 85 0.201 -9.509 4.447 1.00 0.00 C ATOM 1290 C LEU A 85 -0.952 -10.511 4.535 1.00 0.00 C ATOM 1291 O LEU A 85 -0.942 -11.535 3.853 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.053 -8.365 3.463 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.061 -6.956 4.059 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.033 -6.802 5.117 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.048 -5.896 2.962 1.00 0.00 C ATOM 0 H LEU A 85 1.764 -10.044 3.158 1.00 0.00 H new ATOM 0 HA LEU A 85 0.293 -9.041 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.710 -8.405 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.013 -8.537 2.976 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.017 -6.802 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.005 -5.791 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.867 -7.521 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.007 -6.983 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.040 -4.904 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.978 -6.037 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.796 -5.991 2.279 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.943 -10.173 5.403 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.100 -11.032 5.589 1.00 0.00 C ATOM 1309 C PRO A 86 -4.058 -10.926 4.401 1.00 0.00 C ATOM 1310 O PRO A 86 -4.306 -9.833 3.894 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.724 -10.573 6.897 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.171 -9.182 7.158 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.988 -8.969 6.227 1.00 0.00 C ATOM 0 HA PRO A 86 -2.836 -12.088 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.811 -10.554 6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.470 -11.253 7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.937 -8.427 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.861 -9.083 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.121 -8.076 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.062 -8.838 6.787 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.570 -12.077 3.990 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.495 -12.128 2.871 1.00 0.00 C ATOM 1323 C PHE A 87 -6.908 -11.737 3.309 1.00 0.00 C ATOM 1324 O PHE A 87 -7.183 -11.626 4.502 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.511 -13.573 2.369 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.162 -14.063 1.838 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.309 -13.189 1.239 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.816 -15.372 1.964 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.057 -13.643 0.746 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.564 -15.826 1.471 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.711 -14.952 0.873 1.00 0.00 C ATOM 0 H PHE A 87 -4.361 -12.982 4.412 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.178 -11.431 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.828 -14.226 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.256 -13.664 1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.584 -12.149 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.493 -16.066 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.380 -12.949 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.289 -16.866 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.759 -15.297 0.499 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.766 -11.538 2.319 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.143 -11.162 2.587 1.00 0.00 C ATOM 1343 C GLY A 88 -9.211 -9.999 3.578 1.00 0.00 C ATOM 1344 O GLY A 88 -10.111 -9.943 4.415 1.00 0.00 O ATOM 0 H GLY A 88 -7.534 -11.630 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.634 -10.880 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.686 -12.018 2.988 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.247 -9.098 3.452 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.186 -7.939 4.326 1.00 0.00 C ATOM 1350 C LYS A 89 -8.032 -6.674 3.479 1.00 0.00 C ATOM 1351 O LYS A 89 -7.963 -6.749 2.253 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.084 -8.116 5.373 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.578 -8.954 6.553 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.662 -8.112 7.828 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.541 -8.479 8.802 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.627 -7.652 10.026 1.00 0.00 N ATOM 0 H LYS A 89 -7.502 -9.148 2.757 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.115 -7.836 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.219 -8.598 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.755 -7.140 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.559 -9.370 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.904 -9.796 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.596 -7.054 7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.629 -8.266 8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.610 -9.535 9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.573 -8.332 8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.859 -7.914 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.539 -6.647 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.544 -7.813 10.490 1.00 0.00 H new ATOM 1370 N THR A 90 -7.984 -5.543 4.166 1.00 0.00 N ATOM 1371 CA THR A 90 -7.841 -4.263 3.493 1.00 0.00 C ATOM 1372 C THR A 90 -6.662 -3.483 4.077 1.00 0.00 C ATOM 1373 O THR A 90 -6.635 -3.195 5.273 1.00 0.00 O ATOM 1374 CB THR A 90 -9.174 -3.521 3.599 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.090 -4.349 2.887 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.176 -2.206 2.817 1.00 0.00 C ATOM 0 H THR A 90 -8.042 -5.486 5.183 1.00 0.00 H new ATOM 0 HA THR A 90 -7.611 -4.395 2.436 1.00 0.00 H new ATOM 0 HB THR A 90 -9.395 -3.320 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.982 -3.943 2.907 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.145 -1.720 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.396 -1.551 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.988 -2.409 1.763 1.00 0.00 H new ATOM 1384 N THR A 91 -5.716 -3.161 3.206 1.00 0.00 N ATOM 1385 CA THR A 91 -4.538 -2.419 3.621 1.00 0.00 C ATOM 1386 C THR A 91 -4.658 -0.952 3.205 1.00 0.00 C ATOM 1387 O THR A 91 -5.307 -0.636 2.209 1.00 0.00 O ATOM 1388 CB THR A 91 -3.309 -3.118 3.035 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.063 -4.197 3.932 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.047 -2.259 3.131 1.00 0.00 C ATOM 0 H THR A 91 -5.742 -3.401 2.215 1.00 0.00 H new ATOM 0 HA THR A 91 -4.438 -2.409 4.706 1.00 0.00 H new ATOM 0 HB THR A 91 -3.498 -3.371 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.283 -4.705 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.204 -2.801 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.197 -1.329 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.839 -2.034 4.177 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.023 -0.094 3.990 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.051 1.333 3.716 1.00 0.00 C ATOM 1400 C VAL A 92 -2.688 1.771 3.177 1.00 0.00 C ATOM 1401 O VAL A 92 -1.658 1.503 3.792 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.471 2.099 4.973 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.369 3.610 4.754 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.883 1.703 5.410 1.00 0.00 C ATOM 0 H VAL A 92 -3.486 -0.359 4.816 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.792 1.560 2.950 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.784 1.829 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.673 4.131 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.340 3.874 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.022 3.903 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.157 2.262 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.588 1.930 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.911 0.635 5.626 1.00 0.00 H new ATOM 1414 N MET A 93 -2.727 2.438 2.033 1.00 0.00 N ATOM 1415 CA MET A 93 -1.508 2.916 1.404 1.00 0.00 C ATOM 1416 C MET A 93 -1.766 4.198 0.610 1.00 0.00 C ATOM 1417 O MET A 93 -2.873 4.417 0.121 1.00 0.00 O ATOM 1418 CB MET A 93 -0.960 1.837 0.467 1.00 0.00 C ATOM 1419 CG MET A 93 -0.177 0.779 1.247 1.00 0.00 C ATOM 1420 SD MET A 93 0.286 -0.561 0.163 1.00 0.00 S ATOM 1421 CE MET A 93 1.169 -1.600 1.315 1.00 0.00 C ATOM 0 H MET A 93 -3.584 2.659 1.525 1.00 0.00 H new ATOM 0 HA MET A 93 -0.781 3.135 2.186 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.783 1.364 -0.069 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.313 2.295 -0.282 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.714 1.226 1.687 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.783 0.399 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.422 -2.544 0.833 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.083 -1.097 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.542 -1.794 2.185 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.726 5.012 0.507 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.827 6.267 -0.219 1.00 0.00 C ATOM 1433 C HIS A 94 -0.037 6.169 -1.526 1.00 0.00 C ATOM 1434 O HIS A 94 1.018 5.538 -1.572 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.380 7.439 0.657 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.448 7.946 1.596 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.370 9.176 2.227 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.619 7.378 2.004 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.450 9.330 2.978 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.223 8.214 2.839 1.00 0.00 N ATOM 0 H HIS A 94 0.191 4.827 0.914 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.868 6.459 -0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.487 7.132 1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.058 8.258 0.014 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.610 9.849 2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.992 6.411 1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.679 10.188 3.593 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.579 6.802 -2.556 1.00 0.00 N ATOM 1449 CA LEU A 95 0.062 6.794 -3.860 1.00 0.00 C ATOM 1450 C LEU A 95 0.503 8.215 -4.216 1.00 0.00 C ATOM 1451 O LEU A 95 -0.195 9.181 -3.908 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.856 6.155 -4.904 1.00 0.00 C ATOM 1453 CG LEU A 95 -0.477 6.395 -6.367 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.906 7.792 -6.822 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.016 6.152 -6.594 1.00 0.00 C ATOM 0 H LEU A 95 -1.455 7.324 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 95 0.961 6.177 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.881 5.080 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.868 6.528 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.017 5.675 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.625 7.937 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.987 7.892 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.412 8.543 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.258 6.330 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.595 6.831 -5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.261 5.122 -6.335 1.00 0.00 H new ATOM 1467 N VAL A 96 1.657 8.299 -4.860 1.00 0.00 N ATOM 1468 CA VAL A 96 2.199 9.586 -5.261 1.00 0.00 C ATOM 1469 C VAL A 96 3.156 9.388 -6.438 1.00 0.00 C ATOM 1470 O VAL A 96 3.530 8.259 -6.755 1.00 0.00 O ATOM 1471 CB VAL A 96 2.859 10.273 -4.063 1.00 0.00 C ATOM 1472 CG1 VAL A 96 1.845 10.513 -2.943 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.054 9.463 -3.557 1.00 0.00 C ATOM 0 H VAL A 96 2.232 7.496 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 96 1.401 10.247 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 96 3.229 11.243 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.339 11.002 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.040 11.149 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.432 9.559 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.505 9.973 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.718 8.472 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.791 9.366 -4.354 1.00 0.00 H new ATOM 1483 N ALA A 97 3.526 10.501 -7.054 1.00 0.00 N ATOM 1484 CA ALA A 97 4.432 10.464 -8.188 1.00 0.00 C ATOM 1485 C ALA A 97 5.574 11.455 -7.957 1.00 0.00 C ATOM 1486 O ALA A 97 5.383 12.665 -8.071 1.00 0.00 O ATOM 1487 CB ALA A 97 3.655 10.759 -9.473 1.00 0.00 C ATOM 0 H ALA A 97 3.214 11.435 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 97 4.873 9.473 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.335 10.731 -10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.875 10.009 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.200 11.747 -9.404 1.00 0.00 H new ATOM 1493 N ARG A 98 6.736 10.906 -7.635 1.00 0.00 N ATOM 1494 CA ARG A 98 7.909 11.727 -7.386 1.00 0.00 C ATOM 1495 C ARG A 98 9.167 10.857 -7.345 1.00 0.00 C ATOM 1496 O ARG A 98 9.094 9.668 -7.041 1.00 0.00 O ATOM 1497 CB ARG A 98 7.779 12.486 -6.064 1.00 0.00 C ATOM 1498 CG ARG A 98 8.675 13.726 -6.053 1.00 0.00 C ATOM 1499 CD ARG A 98 7.846 15.001 -5.889 1.00 0.00 C ATOM 1500 NE ARG A 98 8.736 16.182 -5.841 1.00 0.00 N ATOM 1501 CZ ARG A 98 8.315 17.432 -5.606 1.00 0.00 C ATOM 1502 NH1 ARG A 98 7.013 17.672 -5.396 1.00 0.00 N ATOM 1503 NH2 ARG A 98 9.195 18.442 -5.581 1.00 0.00 N ATOM 0 H ARG A 98 6.890 9.902 -7.541 1.00 0.00 H new ATOM 0 HA ARG A 98 7.988 12.448 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.741 12.782 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.049 11.830 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.397 13.650 -5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.245 13.775 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.145 15.098 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.254 14.944 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 98 9.733 16.035 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.343 16.903 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.692 18.624 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.186 18.259 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.874 19.394 -5.402 1.00 0.00 H new ATOM 1517 N GLU A 99 10.291 11.485 -7.656 1.00 0.00 N ATOM 1518 CA GLU A 99 11.564 10.783 -7.659 1.00 0.00 C ATOM 1519 C GLU A 99 12.174 10.785 -6.256 1.00 0.00 C ATOM 1520 O GLU A 99 13.134 10.063 -5.992 1.00 0.00 O ATOM 1521 CB GLU A 99 12.526 11.398 -8.677 1.00 0.00 C ATOM 1522 CG GLU A 99 13.642 10.415 -9.039 1.00 0.00 C ATOM 1523 CD GLU A 99 14.945 11.155 -9.349 1.00 0.00 C ATOM 1524 OE1 GLU A 99 15.446 11.833 -8.426 1.00 0.00 O ATOM 1525 OE2 GLU A 99 15.411 11.025 -10.502 1.00 0.00 O ATOM 0 H GLU A 99 10.347 12.472 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 99 11.387 9.749 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.978 11.680 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.959 12.311 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.801 9.720 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.343 9.821 -9.903 1.00 0.00 H new ATOM 1532 N THR A 100 11.593 11.606 -5.394 1.00 0.00 N ATOM 1533 CA THR A 100 12.067 11.711 -4.024 1.00 0.00 C ATOM 1534 C THR A 100 13.550 12.089 -4.002 1.00 0.00 C ATOM 1535 O THR A 100 14.249 11.936 -5.003 1.00 0.00 O ATOM 1536 CB THR A 100 11.767 10.389 -3.316 1.00 0.00 C ATOM 1537 OG1 THR A 100 12.985 9.656 -3.417 1.00 0.00 O ATOM 1538 CG2 THR A 100 10.753 9.533 -4.079 1.00 0.00 C ATOM 0 H THR A 100 10.798 12.205 -5.617 1.00 0.00 H new ATOM 0 HA THR A 100 11.551 12.507 -3.487 1.00 0.00 H new ATOM 0 HB THR A 100 11.390 10.592 -2.314 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.137 9.402 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.576 8.606 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.816 10.081 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.144 9.302 -5.070 1.00 0.00 H new ATOM 1546 N LEU A 101 13.986 12.575 -2.849 1.00 0.00 N ATOM 1547 CA LEU A 101 15.373 12.976 -2.683 1.00 0.00 C ATOM 1548 C LEU A 101 16.213 11.752 -2.314 1.00 0.00 C ATOM 1549 O LEU A 101 15.697 10.787 -1.751 1.00 0.00 O ATOM 1550 CB LEU A 101 15.482 14.123 -1.676 1.00 0.00 C ATOM 1551 CG LEU A 101 14.989 13.821 -0.259 1.00 0.00 C ATOM 1552 CD1 LEU A 101 15.827 12.717 0.389 1.00 0.00 C ATOM 1553 CD2 LEU A 101 14.956 15.091 0.593 1.00 0.00 C ATOM 0 H LEU A 101 13.404 12.700 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 101 15.772 13.366 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.526 14.431 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.919 14.973 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 101 13.966 13.452 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.456 12.522 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.754 11.808 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.868 13.034 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.602 14.848 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.959 15.514 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.284 15.818 0.137 1.00 0.00 H new ATOM 1565 N PRO A 102 17.527 11.832 -2.655 1.00 0.00 N ATOM 1566 CA PRO A 102 18.443 10.742 -2.366 1.00 0.00 C ATOM 1567 C PRO A 102 18.796 10.703 -0.878 1.00 0.00 C ATOM 1568 O PRO A 102 19.163 11.723 -0.296 1.00 0.00 O ATOM 1569 CB PRO A 102 19.649 10.995 -3.256 1.00 0.00 C ATOM 1570 CG PRO A 102 19.567 12.457 -3.663 1.00 0.00 C ATOM 1571 CD PRO A 102 18.173 12.958 -3.323 1.00 0.00 C ATOM 0 HA PRO A 102 18.011 9.763 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.577 10.789 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.632 10.345 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.322 13.042 -3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.763 12.568 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.214 13.833 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 102 17.628 13.252 -4.220 1.00 0.00 H new ATOM 1579 N GLU A 103 18.673 9.515 -0.304 1.00 0.00 N ATOM 1580 CA GLU A 103 18.974 9.329 1.105 1.00 0.00 C ATOM 1581 C GLU A 103 20.401 9.791 1.408 1.00 0.00 C ATOM 1582 O GLU A 103 21.241 9.854 0.511 1.00 0.00 O ATOM 1583 CB GLU A 103 18.770 7.872 1.522 1.00 0.00 C ATOM 1584 CG GLU A 103 17.287 7.496 1.492 1.00 0.00 C ATOM 1585 CD GLU A 103 16.595 7.889 2.799 1.00 0.00 C ATOM 1586 OE1 GLU A 103 16.394 9.108 2.990 1.00 0.00 O ATOM 1587 OE2 GLU A 103 16.283 6.962 3.577 1.00 0.00 O ATOM 0 H GLU A 103 18.369 8.671 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 103 18.283 9.939 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.329 7.217 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.168 7.718 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.799 7.994 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 103 17.183 6.423 1.330 1.00 0.00 H new ATOM 1594 N PRO A 104 20.638 10.112 2.708 1.00 0.00 N ATOM 1595 CA PRO A 104 21.949 10.566 3.141 1.00 0.00 C ATOM 1596 C PRO A 104 22.937 9.400 3.212 1.00 0.00 C ATOM 1597 O PRO A 104 23.475 9.102 4.277 1.00 0.00 O ATOM 1598 CB PRO A 104 21.711 11.226 4.489 1.00 0.00 C ATOM 1599 CG PRO A 104 20.366 10.710 4.975 1.00 0.00 C ATOM 1600 CD PRO A 104 19.667 10.050 3.798 1.00 0.00 C ATOM 0 HA PRO A 104 22.403 11.269 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 104 22.504 10.973 5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.702 12.312 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.502 9.996 5.787 1.00 0.00 H new ATOM 0 HG3 PRO A 104 19.762 11.528 5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.394 9.020 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.747 10.574 3.539 1.00 0.00 H new ATOM 1608 N ASN A 105 23.146 8.772 2.064 1.00 0.00 N ATOM 1609 CA ASN A 105 24.060 7.646 1.983 1.00 0.00 C ATOM 1610 C ASN A 105 23.665 6.597 3.024 1.00 0.00 C ATOM 1611 O ASN A 105 22.762 6.826 3.829 1.00 0.00 O ATOM 1612 CB ASN A 105 25.498 8.081 2.272 1.00 0.00 C ATOM 1613 CG ASN A 105 26.431 7.690 1.125 1.00 0.00 C ATOM 1614 OD1 ASN A 105 26.321 6.627 0.536 1.00 0.00 O ATOM 1615 ND2 ASN A 105 27.353 8.605 0.842 1.00 0.00 N ATOM 0 H ASN A 105 22.698 9.022 1.182 1.00 0.00 H new ATOM 0 HA ASN A 105 24.003 7.238 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 105 25.532 9.160 2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 105 25.842 7.620 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 105 28.024 8.438 0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 105 27.389 9.474 1.375 1.00 0.00 H new ATOM 1622 N SER A 106 24.359 5.470 2.976 1.00 0.00 N ATOM 1623 CA SER A 106 24.092 4.386 3.906 1.00 0.00 C ATOM 1624 C SER A 106 25.383 3.977 4.618 1.00 0.00 C ATOM 1625 O SER A 106 26.130 3.135 4.121 1.00 0.00 O ATOM 1626 CB SER A 106 23.478 3.183 3.187 1.00 0.00 C ATOM 1627 OG SER A 106 22.294 2.722 3.832 1.00 0.00 O ATOM 0 H SER A 106 25.106 5.284 2.307 1.00 0.00 H new ATOM 0 HA SER A 106 23.373 4.739 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 106 23.247 3.455 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 106 24.207 2.374 3.147 1.00 0.00 H new ATOM 0 HG SER A 106 21.932 1.955 3.342 1.00 0.00 H new ATOM 1633 N GLN A 107 25.606 4.591 5.770 1.00 0.00 N ATOM 1634 CA GLN A 107 26.793 4.302 6.555 1.00 0.00 C ATOM 1635 C GLN A 107 26.404 3.672 7.894 1.00 0.00 C ATOM 1636 O GLN A 107 25.239 3.712 8.288 1.00 0.00 O ATOM 1637 CB GLN A 107 27.632 5.564 6.766 1.00 0.00 C ATOM 1638 CG GLN A 107 29.109 5.297 6.467 1.00 0.00 C ATOM 1639 CD GLN A 107 29.833 6.589 6.085 1.00 0.00 C ATOM 1640 OE1 GLN A 107 29.229 7.617 5.828 1.00 0.00 O ATOM 1641 NE2 GLN A 107 31.159 6.480 6.063 1.00 0.00 N ATOM 0 H GLN A 107 24.984 5.288 6.179 1.00 0.00 H new ATOM 0 HA GLN A 107 27.404 3.587 6.003 1.00 0.00 H new ATOM 0 HB2 GLN A 107 27.265 6.361 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 107 27.522 5.910 7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.586 4.853 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.195 4.574 5.656 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.601 5.589 6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 107 31.733 7.287 5.820 1.00 0.00 H new ATOM 1650 N GLY A 108 27.401 3.105 8.557 1.00 0.00 N ATOM 1651 CA GLY A 108 27.177 2.468 9.844 1.00 0.00 C ATOM 1652 C GLY A 108 28.199 2.945 10.878 1.00 0.00 C ATOM 1653 O GLY A 108 28.345 4.146 11.103 1.00 0.00 O ATOM 0 H GLY A 108 28.366 3.073 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 108 26.169 2.692 10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.244 1.386 9.734 1.00 0.00 H new ATOM 1657 N GLN A 109 28.881 1.981 11.478 1.00 0.00 N ATOM 1658 CA GLN A 109 29.885 2.288 12.482 1.00 0.00 C ATOM 1659 C GLN A 109 31.049 3.054 11.852 1.00 0.00 C ATOM 1660 O GLN A 109 31.309 2.923 10.657 1.00 0.00 O ATOM 1661 CB GLN A 109 30.377 1.014 13.172 1.00 0.00 C ATOM 1662 CG GLN A 109 30.827 1.306 14.606 1.00 0.00 C ATOM 1663 CD GLN A 109 32.293 0.918 14.810 1.00 0.00 C ATOM 1664 OE1 GLN A 109 33.209 1.643 14.456 1.00 0.00 O ATOM 1665 NE2 GLN A 109 32.464 -0.262 15.398 1.00 0.00 N ATOM 0 H GLN A 109 28.758 0.986 11.288 1.00 0.00 H new ATOM 0 HA GLN A 109 29.428 2.921 13.243 1.00 0.00 H new ATOM 0 HB2 GLN A 109 29.580 0.270 13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 109 31.205 0.587 12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 109 30.694 2.366 14.824 1.00 0.00 H new ATOM 0 HG3 GLN A 109 30.200 0.755 15.307 1.00 0.00 H new ATOM 0 HE21 GLN A 109 31.654 -0.819 15.669 1.00 0.00 H new ATOM 0 HE22 GLN A 109 33.406 -0.610 15.578 1.00 0.00 H new ATOM 1674 N ARG A 110 31.719 3.838 12.683 1.00 0.00 N ATOM 1675 CA ARG A 110 32.850 4.626 12.222 1.00 0.00 C ATOM 1676 C ARG A 110 33.930 4.689 13.304 1.00 0.00 C ATOM 1677 O ARG A 110 33.621 4.822 14.488 1.00 0.00 O ATOM 1678 CB ARG A 110 32.418 6.048 11.859 1.00 0.00 C ATOM 1679 CG ARG A 110 33.490 6.749 11.021 1.00 0.00 C ATOM 1680 CD ARG A 110 33.514 6.201 9.592 1.00 0.00 C ATOM 1681 NE ARG A 110 32.929 7.191 8.661 1.00 0.00 N ATOM 1682 CZ ARG A 110 33.445 8.407 8.435 1.00 0.00 C ATOM 1683 NH1 ARG A 110 34.560 8.790 9.071 1.00 0.00 N ATOM 1684 NH2 ARG A 110 32.847 9.239 7.572 1.00 0.00 N ATOM 0 H ARG A 110 31.501 3.945 13.674 1.00 0.00 H new ATOM 0 HA ARG A 110 33.251 4.141 11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 110 31.480 6.017 11.304 1.00 0.00 H new ATOM 0 HB3 ARG A 110 32.231 6.619 12.769 1.00 0.00 H new ATOM 0 HG2 ARG A 110 33.297 7.821 11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 110 34.467 6.610 11.484 1.00 0.00 H new ATOM 0 HD2 ARG A 110 34.539 5.974 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 110 32.954 5.267 9.542 1.00 0.00 H new ATOM 0 HE ARG A 110 32.079 6.932 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 110 35.016 8.156 9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 110 34.953 9.715 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 110 31.999 8.947 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 110 33.240 10.164 7.400 1.00 0.00 H new ATOM 1698 N SER A 111 35.174 4.591 12.860 1.00 0.00 N ATOM 1699 CA SER A 111 36.301 4.635 13.776 1.00 0.00 C ATOM 1700 C SER A 111 36.265 5.931 14.588 1.00 0.00 C ATOM 1701 O SER A 111 36.250 5.897 15.818 1.00 0.00 O ATOM 1702 CB SER A 111 37.628 4.518 13.023 1.00 0.00 C ATOM 1703 OG SER A 111 38.735 4.386 13.909 1.00 0.00 O ATOM 0 H SER A 111 35.427 4.481 11.878 1.00 0.00 H new ATOM 0 HA SER A 111 36.223 3.786 14.455 1.00 0.00 H new ATOM 0 HB2 SER A 111 37.592 3.656 12.357 1.00 0.00 H new ATOM 0 HB3 SER A 111 37.768 5.399 12.397 1.00 0.00 H new ATOM 0 HG SER A 111 39.563 4.312 13.390 1.00 0.00 H new ATOM 1709 N GLY A 112 36.253 7.043 13.868 1.00 0.00 N ATOM 1710 CA GLY A 112 36.219 8.348 14.507 1.00 0.00 C ATOM 1711 C GLY A 112 37.581 9.038 14.416 1.00 0.00 C ATOM 1712 O GLY A 112 38.619 8.390 14.542 1.00 0.00 O ATOM 0 H GLY A 112 36.266 7.068 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 112 35.460 8.970 14.032 1.00 0.00 H new ATOM 0 HA3 GLY A 112 35.932 8.238 15.553 1.00 0.00 H new ATOM 1716 N PRO A 113 37.532 10.379 14.194 1.00 0.00 N ATOM 1717 CA PRO A 113 38.750 11.165 14.085 1.00 0.00 C ATOM 1718 C PRO A 113 39.387 11.381 15.459 1.00 0.00 C ATOM 1719 O PRO A 113 40.604 11.275 15.607 1.00 0.00 O ATOM 1720 CB PRO A 113 38.323 12.462 13.418 1.00 0.00 C ATOM 1721 CG PRO A 113 36.816 12.547 13.599 1.00 0.00 C ATOM 1722 CD PRO A 113 36.321 11.180 14.040 1.00 0.00 C ATOM 0 HA PRO A 113 39.522 10.666 13.498 1.00 0.00 H new ATOM 0 HB2 PRO A 113 38.820 13.318 13.874 1.00 0.00 H new ATOM 0 HB3 PRO A 113 38.590 12.464 12.361 1.00 0.00 H new ATOM 0 HG2 PRO A 113 36.563 13.303 14.343 1.00 0.00 H new ATOM 0 HG3 PRO A 113 36.336 12.844 12.667 1.00 0.00 H new ATOM 0 HD2 PRO A 113 35.766 11.243 14.976 1.00 0.00 H new ATOM 0 HD3 PRO A 113 35.650 10.744 13.300 1.00 0.00 H new ATOM 1730 N SER A 114 38.536 11.680 16.430 1.00 0.00 N ATOM 1731 CA SER A 114 39.001 11.912 17.787 1.00 0.00 C ATOM 1732 C SER A 114 39.847 13.186 17.840 1.00 0.00 C ATOM 1733 O SER A 114 40.947 13.227 17.291 1.00 0.00 O ATOM 1734 CB SER A 114 39.806 10.718 18.305 1.00 0.00 C ATOM 1735 OG SER A 114 39.046 9.513 18.285 1.00 0.00 O ATOM 0 H SER A 114 37.528 11.767 16.304 1.00 0.00 H new ATOM 0 HA SER A 114 38.130 12.035 18.431 1.00 0.00 H new ATOM 0 HB2 SER A 114 40.701 10.592 17.696 1.00 0.00 H new ATOM 0 HB3 SER A 114 40.139 10.920 19.323 1.00 0.00 H new ATOM 0 HG SER A 114 39.595 8.774 18.621 1.00 0.00 H new ATOM 1741 N SER A 115 39.301 14.193 18.505 1.00 0.00 N ATOM 1742 CA SER A 115 39.992 15.465 18.637 1.00 0.00 C ATOM 1743 C SER A 115 39.139 16.442 19.448 1.00 0.00 C ATOM 1744 O SER A 115 37.972 16.663 19.131 1.00 0.00 O ATOM 1745 CB SER A 115 40.320 16.058 17.265 1.00 0.00 C ATOM 1746 OG SER A 115 40.582 17.457 17.337 1.00 0.00 O ATOM 0 H SER A 115 38.388 14.154 18.958 1.00 0.00 H new ATOM 0 HA SER A 115 40.932 15.292 19.162 1.00 0.00 H new ATOM 0 HB2 SER A 115 41.188 15.548 16.848 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.487 15.880 16.584 1.00 0.00 H new ATOM 0 HG SER A 115 40.789 17.798 16.442 1.00 0.00 H new ATOM 1752 N GLY A 116 39.756 17.001 20.479 1.00 0.00 N ATOM 1753 CA GLY A 116 39.068 17.950 21.338 1.00 0.00 C ATOM 1754 C GLY A 116 39.938 18.335 22.536 1.00 0.00 C ATOM 1755 O GLY A 116 40.334 17.476 23.322 1.00 0.00 O ATOM 0 H GLY A 116 40.725 16.815 20.739 1.00 0.00 H new ATOM 0 HA2 GLY A 116 38.812 18.843 20.768 1.00 0.00 H new ATOM 0 HA3 GLY A 116 38.131 17.516 21.688 1.00 0.00 H new TER 1759 GLY A 116