USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 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 25 THR OG1 : rot -67:sc= -0.701 USER MOD Set 1.2: A 28 GLN : amide:sc= -0.62 K(o=-1.3,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -17:sc= 0.757 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 39:sc= 0.116 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.49) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0162 (180deg=-0.194) USER MOD Single : A 36 TYR OH : rot -120:sc= 0 USER MOD Single : A 40 SER OG : rot -9:sc= 0.959 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.137 F(o=-1.5,f=-0.14) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 155:sc= -2.29! (180deg=-4.17!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= -1.39 (180deg=-3.37!) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.246 (180deg=-0.452) USER MOD Single : A 62 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.7!) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 67 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.4!) USER MOD Single : A 68 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 79:sc= 0.204 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.254 -7.399 -35.367 1.00 0.00 N ATOM 2 CA GLY A 1 -17.607 -8.407 -34.384 1.00 0.00 C ATOM 3 C GLY A 1 -16.390 -9.100 -33.803 1.00 0.00 C ATOM 4 O GLY A 1 -15.610 -9.713 -34.531 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.119 -6.954 -35.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.655 -6.675 -34.922 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.735 -7.845 -36.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.176 -7.942 -33.579 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.258 -9.149 -34.846 1.00 0.00 H new ATOM 8 N SER A 2 -16.228 -9.003 -32.487 1.00 0.00 N ATOM 9 CA SER A 2 -15.095 -9.621 -31.809 1.00 0.00 C ATOM 10 C SER A 2 -15.380 -9.794 -30.321 1.00 0.00 C ATOM 11 O SER A 2 -16.085 -8.986 -29.715 1.00 0.00 O ATOM 12 CB SER A 2 -13.834 -8.777 -32.004 1.00 0.00 C ATOM 13 OG SER A 2 -13.541 -8.606 -33.380 1.00 0.00 O ATOM 0 H SER A 2 -16.867 -8.502 -31.870 1.00 0.00 H new ATOM 0 HA SER A 2 -14.935 -10.606 -32.247 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.969 -7.803 -31.534 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.991 -9.257 -31.507 1.00 0.00 H new ATOM 0 HG SER A 2 -14.028 -9.276 -33.904 1.00 0.00 H new ATOM 19 N SER A 3 -14.828 -10.853 -29.737 1.00 0.00 N ATOM 20 CA SER A 3 -15.026 -11.135 -28.320 1.00 0.00 C ATOM 21 C SER A 3 -13.691 -11.383 -27.624 1.00 0.00 C ATOM 22 O SER A 3 -12.721 -11.808 -28.251 1.00 0.00 O ATOM 23 CB SER A 3 -15.940 -12.348 -28.143 1.00 0.00 C ATOM 24 OG SER A 3 -17.305 -11.966 -28.166 1.00 0.00 O ATOM 0 H SER A 3 -14.240 -11.530 -30.223 1.00 0.00 H new ATOM 0 HA SER A 3 -15.497 -10.265 -27.864 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.748 -13.071 -28.936 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.714 -12.843 -27.199 1.00 0.00 H new ATOM 0 HG SER A 3 -17.869 -12.760 -28.053 1.00 0.00 H new ATOM 30 N GLY A 4 -13.650 -11.115 -26.323 1.00 0.00 N ATOM 31 CA GLY A 4 -12.431 -11.315 -25.562 1.00 0.00 C ATOM 32 C GLY A 4 -12.262 -12.750 -25.105 1.00 0.00 C ATOM 33 O GLY A 4 -11.882 -13.004 -23.962 1.00 0.00 O ATOM 0 H GLY A 4 -14.440 -10.763 -25.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.574 -11.028 -26.172 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.437 -10.658 -24.692 1.00 0.00 H new ATOM 37 N SER A 5 -12.546 -13.692 -25.999 1.00 0.00 N ATOM 38 CA SER A 5 -12.428 -15.110 -25.679 1.00 0.00 C ATOM 39 C SER A 5 -12.906 -15.388 -24.257 1.00 0.00 C ATOM 40 O SER A 5 -12.285 -16.154 -23.520 1.00 0.00 O ATOM 41 CB SER A 5 -10.979 -15.573 -25.842 1.00 0.00 C ATOM 42 OG SER A 5 -10.538 -15.406 -27.178 1.00 0.00 O ATOM 0 H SER A 5 -12.859 -13.499 -26.950 1.00 0.00 H new ATOM 0 HA SER A 5 -13.060 -15.667 -26.371 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.335 -15.006 -25.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.894 -16.621 -25.556 1.00 0.00 H new ATOM 0 HG SER A 5 -9.609 -15.707 -27.256 1.00 0.00 H new ATOM 48 N SER A 6 -14.014 -14.759 -23.879 1.00 0.00 N ATOM 49 CA SER A 6 -14.575 -14.935 -22.544 1.00 0.00 C ATOM 50 C SER A 6 -15.649 -16.018 -22.544 1.00 0.00 C ATOM 51 O SER A 6 -16.283 -16.280 -23.565 1.00 0.00 O ATOM 52 CB SER A 6 -15.164 -13.617 -22.038 1.00 0.00 C ATOM 53 OG SER A 6 -14.141 -12.686 -21.728 1.00 0.00 O ATOM 0 H SER A 6 -14.541 -14.123 -24.478 1.00 0.00 H new ATOM 0 HA SER A 6 -13.771 -15.246 -21.877 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.825 -13.196 -22.795 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.771 -13.803 -21.152 1.00 0.00 H new ATOM 0 HG SER A 6 -13.424 -12.754 -22.393 1.00 0.00 H new ATOM 59 N GLY A 7 -15.847 -16.647 -21.389 1.00 0.00 N ATOM 60 CA GLY A 7 -16.844 -17.695 -21.276 1.00 0.00 C ATOM 61 C GLY A 7 -16.853 -18.341 -19.905 1.00 0.00 C ATOM 62 O GLY A 7 -15.858 -18.296 -19.183 1.00 0.00 O ATOM 0 H GLY A 7 -15.334 -16.449 -20.530 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.830 -17.279 -21.485 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.653 -18.457 -22.032 1.00 0.00 H new ATOM 66 N GLY A 8 -17.982 -18.943 -19.544 1.00 0.00 N ATOM 67 CA GLY A 8 -18.097 -19.591 -18.250 1.00 0.00 C ATOM 68 C GLY A 8 -17.779 -21.072 -18.313 1.00 0.00 C ATOM 69 O GLY A 8 -18.649 -21.890 -18.613 1.00 0.00 O ATOM 0 H GLY A 8 -18.819 -18.994 -20.124 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -17.422 -19.107 -17.544 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.109 -19.456 -17.868 1.00 0.00 H new ATOM 73 N THR A 9 -16.527 -21.420 -18.031 1.00 0.00 N ATOM 74 CA THR A 9 -16.095 -22.811 -18.060 1.00 0.00 C ATOM 75 C THR A 9 -15.129 -23.111 -16.919 1.00 0.00 C ATOM 76 O THR A 9 -14.086 -22.472 -16.792 1.00 0.00 O ATOM 77 CB THR A 9 -15.417 -23.162 -19.398 1.00 0.00 C ATOM 78 OG1 THR A 9 -16.294 -22.855 -20.487 1.00 0.00 O ATOM 79 CG2 THR A 9 -15.039 -24.634 -19.444 1.00 0.00 C ATOM 0 H THR A 9 -15.794 -20.756 -17.780 1.00 0.00 H new ATOM 0 HA THR A 9 -16.990 -23.422 -17.944 1.00 0.00 H new ATOM 0 HB THR A 9 -14.508 -22.567 -19.486 1.00 0.00 H new ATOM 0 HG1 THR A 9 -15.855 -23.080 -21.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.562 -24.858 -20.398 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.348 -24.858 -18.632 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.936 -25.244 -19.335 1.00 0.00 H new ATOM 87 N GLY A 10 -15.483 -24.089 -16.091 1.00 0.00 N ATOM 88 CA GLY A 10 -14.636 -24.457 -14.972 1.00 0.00 C ATOM 89 C GLY A 10 -15.239 -24.069 -13.636 1.00 0.00 C ATOM 90 O GLY A 10 -16.025 -24.820 -13.060 1.00 0.00 O ATOM 0 H GLY A 10 -16.342 -24.633 -16.175 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.463 -25.533 -14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.664 -23.976 -15.082 1.00 0.00 H new ATOM 94 N GLY A 11 -14.869 -22.891 -13.141 1.00 0.00 N ATOM 95 CA GLY A 11 -15.387 -22.426 -11.868 1.00 0.00 C ATOM 96 C GLY A 11 -14.388 -21.572 -11.113 1.00 0.00 C ATOM 97 O GLY A 11 -13.278 -21.337 -11.589 1.00 0.00 O ATOM 0 H GLY A 11 -14.220 -22.251 -13.599 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.297 -21.851 -12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.662 -23.285 -11.256 1.00 0.00 H new ATOM 101 N GLU A 12 -14.783 -21.104 -9.933 1.00 0.00 N ATOM 102 CA GLU A 12 -13.914 -20.269 -9.113 1.00 0.00 C ATOM 103 C GLU A 12 -12.803 -21.099 -8.477 1.00 0.00 C ATOM 104 O GLU A 12 -13.037 -21.841 -7.524 1.00 0.00 O ATOM 105 CB GLU A 12 -14.726 -19.565 -8.024 1.00 0.00 C ATOM 106 CG GLU A 12 -15.459 -18.327 -8.515 1.00 0.00 C ATOM 107 CD GLU A 12 -14.530 -17.150 -8.738 1.00 0.00 C ATOM 108 OE1 GLU A 12 -13.596 -17.277 -9.556 1.00 0.00 O ATOM 109 OE2 GLU A 12 -14.739 -16.100 -8.095 1.00 0.00 O ATOM 0 H GLU A 12 -15.699 -21.289 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.459 -19.519 -9.760 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.451 -20.267 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.058 -19.283 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.974 -18.560 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.223 -18.050 -7.789 1.00 0.00 H new ATOM 116 N GLU A 13 -11.593 -20.967 -9.013 1.00 0.00 N ATOM 117 CA GLU A 13 -10.446 -21.706 -8.499 1.00 0.00 C ATOM 118 C GLU A 13 -9.593 -20.824 -7.592 1.00 0.00 C ATOM 119 O GLU A 13 -9.513 -19.608 -7.764 1.00 0.00 O ATOM 120 CB GLU A 13 -9.597 -22.242 -9.654 1.00 0.00 C ATOM 121 CG GLU A 13 -10.343 -23.204 -10.563 1.00 0.00 C ATOM 122 CD GLU A 13 -9.449 -23.818 -11.622 1.00 0.00 C ATOM 123 OE1 GLU A 13 -8.322 -24.233 -11.279 1.00 0.00 O ATOM 124 OE2 GLU A 13 -9.875 -23.883 -12.794 1.00 0.00 O ATOM 0 H GLU A 13 -11.382 -20.356 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.820 -22.546 -7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.234 -21.402 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.721 -22.746 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.785 -23.998 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.165 -22.677 -11.048 1.00 0.00 H new ATOM 131 N PRO A 14 -8.939 -21.451 -6.603 1.00 0.00 N ATOM 132 CA PRO A 14 -8.080 -20.744 -5.649 1.00 0.00 C ATOM 133 C PRO A 14 -6.801 -20.223 -6.296 1.00 0.00 C ATOM 134 O PRO A 14 -6.081 -20.971 -6.956 1.00 0.00 O ATOM 135 CB PRO A 14 -7.753 -21.814 -4.605 1.00 0.00 C ATOM 136 CG PRO A 14 -7.893 -23.107 -5.331 1.00 0.00 C ATOM 137 CD PRO A 14 -8.988 -22.899 -6.340 1.00 0.00 C ATOM 0 HA PRO A 14 -8.570 -19.862 -5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.744 -21.688 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.435 -21.761 -3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.959 -23.383 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.144 -23.915 -4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.814 -23.478 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.959 -23.204 -5.948 1.00 0.00 H new ATOM 145 N GLN A 15 -6.526 -18.937 -6.102 1.00 0.00 N ATOM 146 CA GLN A 15 -5.334 -18.318 -6.668 1.00 0.00 C ATOM 147 C GLN A 15 -4.155 -18.427 -5.706 1.00 0.00 C ATOM 148 O GLN A 15 -4.222 -17.957 -4.570 1.00 0.00 O ATOM 149 CB GLN A 15 -5.604 -16.848 -6.997 1.00 0.00 C ATOM 150 CG GLN A 15 -5.766 -15.969 -5.768 1.00 0.00 C ATOM 151 CD GLN A 15 -6.181 -14.553 -6.114 1.00 0.00 C ATOM 152 OE1 GLN A 15 -5.430 -13.602 -5.893 1.00 0.00 O ATOM 153 NE2 GLN A 15 -7.382 -14.404 -6.659 1.00 0.00 N ATOM 0 H GLN A 15 -7.112 -18.304 -5.558 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.081 -18.848 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.784 -16.463 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.507 -16.780 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.511 -16.410 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.826 -15.944 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.972 -15.220 -6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.715 -13.474 -6.912 1.00 0.00 H new ATOM 162 N ARG A 16 -3.076 -19.051 -6.169 1.00 0.00 N ATOM 163 CA ARG A 16 -1.883 -19.223 -5.349 1.00 0.00 C ATOM 164 C ARG A 16 -0.622 -18.927 -6.155 1.00 0.00 C ATOM 165 O ARG A 16 -0.420 -19.480 -7.236 1.00 0.00 O ATOM 166 CB ARG A 16 -1.823 -20.647 -4.792 1.00 0.00 C ATOM 167 CG ARG A 16 -0.546 -20.947 -4.024 1.00 0.00 C ATOM 168 CD ARG A 16 -0.610 -22.306 -3.345 1.00 0.00 C ATOM 169 NE ARG A 16 -1.245 -22.232 -2.032 1.00 0.00 N ATOM 170 CZ ARG A 16 -1.214 -23.219 -1.143 1.00 0.00 C ATOM 171 NH1 ARG A 16 -0.581 -24.349 -1.426 1.00 0.00 N ATOM 172 NH2 ARG A 16 -1.816 -23.076 0.031 1.00 0.00 N ATOM 0 H ARG A 16 -3.004 -19.445 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.937 -18.517 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.678 -20.808 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.916 -21.355 -5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.304 -20.919 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.380 -20.172 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.163 -23.001 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.398 -22.706 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.740 -21.375 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.117 -24.462 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.558 -25.106 -0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.303 -22.208 0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.791 -23.835 0.712 1.00 0.00 H new ATOM 186 N ASP A 17 0.222 -18.050 -5.622 1.00 0.00 N ATOM 187 CA ASP A 17 1.464 -17.680 -6.290 1.00 0.00 C ATOM 188 C ASP A 17 2.578 -18.666 -5.952 1.00 0.00 C ATOM 189 O ASP A 17 2.612 -19.230 -4.858 1.00 0.00 O ATOM 190 CB ASP A 17 1.880 -16.264 -5.892 1.00 0.00 C ATOM 191 CG ASP A 17 0.718 -15.291 -5.913 1.00 0.00 C ATOM 192 OD1 ASP A 17 0.276 -14.919 -7.020 1.00 0.00 O ATOM 193 OD2 ASP A 17 0.250 -14.900 -4.822 1.00 0.00 O ATOM 0 H ASP A 17 0.068 -17.582 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 17 1.292 -17.710 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.315 -16.284 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.657 -15.912 -6.571 1.00 0.00 H new ATOM 198 N LYS A 18 3.488 -18.870 -6.899 1.00 0.00 N ATOM 199 CA LYS A 18 4.604 -19.787 -6.702 1.00 0.00 C ATOM 200 C LYS A 18 5.936 -19.078 -6.925 1.00 0.00 C ATOM 201 O LYS A 18 6.863 -19.213 -6.126 1.00 0.00 O ATOM 202 CB LYS A 18 4.484 -20.980 -7.654 1.00 0.00 C ATOM 203 CG LYS A 18 3.639 -22.115 -7.102 1.00 0.00 C ATOM 204 CD LYS A 18 3.952 -23.431 -7.795 1.00 0.00 C ATOM 205 CE LYS A 18 3.081 -23.634 -9.025 1.00 0.00 C ATOM 206 NZ LYS A 18 3.533 -24.797 -9.838 1.00 0.00 N ATOM 0 H LYS A 18 3.474 -18.412 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 18 4.571 -20.145 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.052 -20.641 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.482 -21.357 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.817 -22.215 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.583 -21.878 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.003 -23.450 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.798 -24.256 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.047 -23.786 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.102 -22.733 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.914 -24.902 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.511 -24.641 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.489 -25.661 -9.262 1.00 0.00 H new ATOM 220 N ARG A 19 6.024 -18.321 -8.014 1.00 0.00 N ATOM 221 CA ARG A 19 7.243 -17.591 -8.340 1.00 0.00 C ATOM 222 C ARG A 19 7.207 -16.183 -7.753 1.00 0.00 C ATOM 223 O ARG A 19 6.135 -15.629 -7.506 1.00 0.00 O ATOM 224 CB ARG A 19 7.429 -17.518 -9.857 1.00 0.00 C ATOM 225 CG ARG A 19 6.411 -16.630 -10.553 1.00 0.00 C ATOM 226 CD ARG A 19 6.373 -16.893 -12.050 1.00 0.00 C ATOM 227 NE ARG A 19 5.514 -18.025 -12.386 1.00 0.00 N ATOM 228 CZ ARG A 19 4.200 -17.925 -12.555 1.00 0.00 C ATOM 229 NH1 ARG A 19 3.598 -16.751 -12.422 1.00 0.00 N ATOM 230 NH2 ARG A 19 3.486 -19.001 -12.860 1.00 0.00 N ATOM 0 H ARG A 19 5.266 -18.197 -8.685 1.00 0.00 H new ATOM 0 HA ARG A 19 8.085 -18.127 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.431 -17.147 -10.074 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.365 -18.524 -10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.423 -16.804 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.656 -15.583 -10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.016 -16.002 -12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.384 -17.086 -12.410 1.00 0.00 H new ATOM 0 HE ARG A 19 5.946 -18.942 -12.497 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.144 -15.921 -12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.589 -16.678 -12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.946 -19.905 -12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.477 -18.924 -12.990 1.00 0.00 H new ATOM 244 N LEU A 20 8.385 -15.609 -7.533 1.00 0.00 N ATOM 245 CA LEU A 20 8.488 -14.265 -6.974 1.00 0.00 C ATOM 246 C LEU A 20 9.543 -13.449 -7.713 1.00 0.00 C ATOM 247 O LEU A 20 10.687 -13.880 -7.859 1.00 0.00 O ATOM 248 CB LEU A 20 8.832 -14.336 -5.485 1.00 0.00 C ATOM 249 CG LEU A 20 7.699 -14.770 -4.555 1.00 0.00 C ATOM 250 CD1 LEU A 20 7.486 -16.273 -4.639 1.00 0.00 C ATOM 251 CD2 LEU A 20 7.995 -14.351 -3.122 1.00 0.00 C ATOM 0 H LEU A 20 9.281 -16.053 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 20 7.523 -13.772 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.665 -15.027 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.181 -13.354 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 20 6.782 -14.275 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.676 -16.564 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.228 -16.547 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.401 -16.787 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.178 -14.668 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.923 -14.818 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.097 -13.267 -3.074 1.00 0.00 H new ATOM 263 N ARG A 21 9.152 -12.266 -8.176 1.00 0.00 N ATOM 264 CA ARG A 21 10.064 -11.388 -8.899 1.00 0.00 C ATOM 265 C ARG A 21 10.262 -10.074 -8.150 1.00 0.00 C ATOM 266 O ARG A 21 9.418 -9.670 -7.348 1.00 0.00 O ATOM 267 CB ARG A 21 9.531 -11.111 -10.306 1.00 0.00 C ATOM 268 CG ARG A 21 9.824 -12.224 -11.299 1.00 0.00 C ATOM 269 CD ARG A 21 11.296 -12.257 -11.679 1.00 0.00 C ATOM 270 NE ARG A 21 11.616 -11.279 -12.715 1.00 0.00 N ATOM 271 CZ ARG A 21 11.465 -11.508 -14.015 1.00 0.00 C ATOM 272 NH1 ARG A 21 10.999 -12.676 -14.435 1.00 0.00 N ATOM 273 NH2 ARG A 21 11.778 -10.567 -14.897 1.00 0.00 N ATOM 0 H ARG A 21 8.209 -11.894 -8.063 1.00 0.00 H new ATOM 0 HA ARG A 21 11.028 -11.891 -8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.453 -10.957 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.968 -10.183 -10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.537 -13.183 -10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.219 -12.083 -12.195 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.903 -12.061 -10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.557 -13.255 -12.030 1.00 0.00 H new ATOM 0 HE ARG A 21 11.975 -10.370 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.756 -13.401 -13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.884 -12.850 -15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.135 -9.667 -14.577 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.662 -10.744 -15.895 1.00 0.00 H new ATOM 287 N THR A 22 11.382 -9.409 -8.416 1.00 0.00 N ATOM 288 CA THR A 22 11.692 -8.142 -7.767 1.00 0.00 C ATOM 289 C THR A 22 10.700 -7.058 -8.175 1.00 0.00 C ATOM 290 O THR A 22 10.039 -6.455 -7.328 1.00 0.00 O ATOM 291 CB THR A 22 13.118 -7.671 -8.106 1.00 0.00 C ATOM 292 OG1 THR A 22 14.058 -8.716 -7.832 1.00 0.00 O ATOM 293 CG2 THR A 22 13.484 -6.431 -7.304 1.00 0.00 C ATOM 0 H THR A 22 12.090 -9.728 -9.077 1.00 0.00 H new ATOM 0 HA THR A 22 11.620 -8.311 -6.693 1.00 0.00 H new ATOM 0 HB THR A 22 13.151 -7.422 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.962 -8.409 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 22 14.496 -6.117 -7.561 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.785 -5.628 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.434 -6.658 -6.239 1.00 0.00 H new ATOM 301 N THR A 23 10.600 -6.815 -9.478 1.00 0.00 N ATOM 302 CA THR A 23 9.689 -5.803 -9.998 1.00 0.00 C ATOM 303 C THR A 23 8.296 -5.957 -9.399 1.00 0.00 C ATOM 304 O THR A 23 8.050 -6.863 -8.602 1.00 0.00 O ATOM 305 CB THR A 23 9.586 -5.877 -11.534 1.00 0.00 C ATOM 306 OG1 THR A 23 9.054 -7.147 -11.928 1.00 0.00 O ATOM 307 CG2 THR A 23 10.948 -5.669 -12.178 1.00 0.00 C ATOM 0 H THR A 23 11.139 -7.305 -10.192 1.00 0.00 H new ATOM 0 HA THR A 23 10.098 -4.833 -9.714 1.00 0.00 H new ATOM 0 HB THR A 23 8.918 -5.084 -11.871 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.990 -7.186 -12.905 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.850 -5.726 -13.262 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.337 -4.689 -11.899 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.635 -6.443 -11.835 1.00 0.00 H new ATOM 315 N ILE A 24 7.389 -5.067 -9.786 1.00 0.00 N ATOM 316 CA ILE A 24 6.020 -5.105 -9.287 1.00 0.00 C ATOM 317 C ILE A 24 5.015 -5.010 -10.431 1.00 0.00 C ATOM 318 O ILE A 24 5.351 -4.574 -11.533 1.00 0.00 O ATOM 319 CB ILE A 24 5.752 -3.965 -8.287 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.800 -3.979 -7.173 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.352 -4.087 -7.707 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.776 -2.740 -6.305 1.00 0.00 C ATOM 0 H ILE A 24 7.577 -4.310 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 24 5.897 -6.060 -8.777 1.00 0.00 H new ATOM 0 HB ILE A 24 5.823 -3.014 -8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.640 -4.856 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.790 -4.082 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.178 -3.274 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.619 -4.033 -8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.254 -5.042 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.545 -2.819 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.967 -1.861 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.799 -2.646 -5.831 1.00 0.00 H new ATOM 334 N THR A 25 3.779 -5.418 -10.161 1.00 0.00 N ATOM 335 CA THR A 25 2.725 -5.378 -11.166 1.00 0.00 C ATOM 336 C THR A 25 1.658 -4.352 -10.803 1.00 0.00 C ATOM 337 O THR A 25 1.449 -4.024 -9.635 1.00 0.00 O ATOM 338 CB THR A 25 2.058 -6.757 -11.336 1.00 0.00 C ATOM 339 OG1 THR A 25 1.488 -7.182 -10.093 1.00 0.00 O ATOM 340 CG2 THR A 25 3.066 -7.790 -11.817 1.00 0.00 C ATOM 0 H THR A 25 3.484 -5.780 -9.254 1.00 0.00 H new ATOM 0 HA THR A 25 3.196 -5.092 -12.106 1.00 0.00 H new ATOM 0 HB THR A 25 1.270 -6.665 -12.084 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.204 -7.361 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.572 -8.755 -11.930 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.476 -7.478 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.873 -7.878 -11.089 1.00 0.00 H new ATOM 348 N PRO A 26 0.964 -3.831 -11.826 1.00 0.00 N ATOM 349 CA PRO A 26 -0.095 -2.835 -11.639 1.00 0.00 C ATOM 350 C PRO A 26 -1.333 -3.423 -10.971 1.00 0.00 C ATOM 351 O PRO A 26 -2.239 -2.693 -10.572 1.00 0.00 O ATOM 352 CB PRO A 26 -0.419 -2.389 -13.067 1.00 0.00 C ATOM 353 CG PRO A 26 -0.024 -3.542 -13.923 1.00 0.00 C ATOM 354 CD PRO A 26 1.159 -4.176 -13.245 1.00 0.00 C ATOM 0 HA PRO A 26 0.221 -2.022 -10.985 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.478 -2.158 -13.179 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.134 -1.489 -13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.844 -4.253 -14.022 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.234 -3.211 -14.929 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.179 -5.255 -13.397 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.100 -3.783 -13.629 1.00 0.00 H new ATOM 362 N GLU A 27 -1.363 -4.747 -10.853 1.00 0.00 N ATOM 363 CA GLU A 27 -2.492 -5.431 -10.233 1.00 0.00 C ATOM 364 C GLU A 27 -2.201 -5.743 -8.767 1.00 0.00 C ATOM 365 O GLU A 27 -3.106 -6.071 -8.001 1.00 0.00 O ATOM 366 CB GLU A 27 -2.809 -6.724 -10.987 1.00 0.00 C ATOM 367 CG GLU A 27 -3.106 -6.511 -12.462 1.00 0.00 C ATOM 368 CD GLU A 27 -3.514 -7.790 -13.166 1.00 0.00 C ATOM 369 OE1 GLU A 27 -4.687 -8.197 -13.025 1.00 0.00 O ATOM 370 OE2 GLU A 27 -2.661 -8.386 -13.857 1.00 0.00 O ATOM 0 H GLU A 27 -0.620 -5.366 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.356 -4.769 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.965 -7.407 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.666 -7.207 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.902 -5.774 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.224 -6.098 -12.950 1.00 0.00 H new ATOM 377 N GLN A 28 -0.931 -5.638 -8.387 1.00 0.00 N ATOM 378 CA GLN A 28 -0.521 -5.910 -7.015 1.00 0.00 C ATOM 379 C GLN A 28 -0.467 -4.623 -6.198 1.00 0.00 C ATOM 380 O GLN A 28 -0.970 -4.567 -5.075 1.00 0.00 O ATOM 381 CB GLN A 28 0.846 -6.598 -6.996 1.00 0.00 C ATOM 382 CG GLN A 28 0.802 -8.050 -7.445 1.00 0.00 C ATOM 383 CD GLN A 28 2.182 -8.667 -7.559 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.913 -8.409 -8.516 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.547 -9.487 -6.581 1.00 0.00 N ATOM 0 H GLN A 28 -0.170 -5.367 -9.009 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.260 -6.573 -6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.530 -6.047 -7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.253 -6.551 -5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.207 -8.627 -6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.299 -8.113 -8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.910 -9.673 -5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.465 -9.931 -6.604 1.00 0.00 H new ATOM 394 N LEU A 29 0.147 -3.592 -6.767 1.00 0.00 N ATOM 395 CA LEU A 29 0.267 -2.305 -6.091 1.00 0.00 C ATOM 396 C LEU A 29 -1.026 -1.949 -5.363 1.00 0.00 C ATOM 397 O LEU A 29 -1.028 -1.741 -4.151 1.00 0.00 O ATOM 398 CB LEU A 29 0.616 -1.208 -7.099 1.00 0.00 C ATOM 399 CG LEU A 29 2.103 -1.028 -7.406 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.293 -0.418 -8.786 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.767 -0.164 -6.344 1.00 0.00 C ATOM 0 H LEU A 29 0.570 -3.622 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 29 1.067 -2.382 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.096 -1.421 -8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.225 -0.261 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 29 2.577 -2.009 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.357 -0.297 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.854 -1.074 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.804 0.555 -8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.825 -0.047 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.290 0.816 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.663 -0.641 -5.369 1.00 0.00 H new ATOM 413 N GLU A 30 -2.122 -1.883 -6.113 1.00 0.00 N ATOM 414 CA GLU A 30 -3.421 -1.554 -5.537 1.00 0.00 C ATOM 415 C GLU A 30 -3.546 -2.113 -4.123 1.00 0.00 C ATOM 416 O GLU A 30 -3.807 -1.373 -3.173 1.00 0.00 O ATOM 417 CB GLU A 30 -4.547 -2.104 -6.416 1.00 0.00 C ATOM 418 CG GLU A 30 -4.259 -2.006 -7.905 1.00 0.00 C ATOM 419 CD GLU A 30 -5.524 -1.969 -8.741 1.00 0.00 C ATOM 420 OE1 GLU A 30 -6.492 -2.673 -8.386 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.544 -1.236 -9.752 1.00 0.00 O ATOM 0 H GLU A 30 -2.136 -2.053 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.504 -0.468 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.723 -3.148 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.467 -1.562 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.672 -1.108 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.650 -2.857 -8.211 1.00 0.00 H new ATOM 428 N ILE A 31 -3.359 -3.421 -3.991 1.00 0.00 N ATOM 429 CA ILE A 31 -3.451 -4.079 -2.693 1.00 0.00 C ATOM 430 C ILE A 31 -2.504 -3.438 -1.684 1.00 0.00 C ATOM 431 O ILE A 31 -2.870 -3.210 -0.530 1.00 0.00 O ATOM 432 CB ILE A 31 -3.130 -5.581 -2.799 1.00 0.00 C ATOM 433 CG1 ILE A 31 -4.011 -6.239 -3.863 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.322 -6.260 -1.451 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.368 -7.441 -4.521 1.00 0.00 C ATOM 0 H ILE A 31 -3.143 -4.047 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.479 -3.959 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.087 -5.695 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.952 -6.545 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.254 -5.502 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.091 -7.321 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.657 -5.806 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.356 -6.140 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.049 -7.857 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.441 -7.137 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.150 -8.196 -3.766 1.00 0.00 H new ATOM 447 N LEU A 32 -1.285 -3.148 -2.126 1.00 0.00 N ATOM 448 CA LEU A 32 -0.285 -2.531 -1.263 1.00 0.00 C ATOM 449 C LEU A 32 -0.722 -1.134 -0.834 1.00 0.00 C ATOM 450 O LEU A 32 -0.676 -0.793 0.348 1.00 0.00 O ATOM 451 CB LEU A 32 1.063 -2.457 -1.982 1.00 0.00 C ATOM 452 CG LEU A 32 1.562 -3.760 -2.608 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.800 -3.506 -3.454 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.855 -4.792 -1.528 1.00 0.00 C ATOM 0 H LEU A 32 -0.966 -3.331 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.181 -3.149 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.993 -1.704 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.812 -2.108 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 32 0.778 -4.153 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.141 -4.445 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.559 -2.801 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.589 -3.090 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.209 -5.713 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.621 -4.407 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.945 -4.996 -0.964 1.00 0.00 H new ATOM 466 N TYR A 33 -1.148 -0.330 -1.802 1.00 0.00 N ATOM 467 CA TYR A 33 -1.594 1.030 -1.525 1.00 0.00 C ATOM 468 C TYR A 33 -2.728 1.034 -0.504 1.00 0.00 C ATOM 469 O TYR A 33 -2.715 1.812 0.449 1.00 0.00 O ATOM 470 CB TYR A 33 -2.053 1.712 -2.816 1.00 0.00 C ATOM 471 CG TYR A 33 -0.919 2.298 -3.626 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.103 3.291 -3.098 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.664 1.861 -4.920 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.933 3.831 -3.835 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.371 2.394 -5.664 1.00 0.00 C ATOM 476 CZ TYR A 33 1.167 3.379 -5.117 1.00 0.00 C ATOM 477 OH TYR A 33 2.198 3.913 -5.855 1.00 0.00 O ATOM 0 H TYR A 33 -1.194 -0.597 -2.785 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.752 1.583 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.590 0.988 -3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.759 2.505 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.282 3.647 -2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.286 1.091 -5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.557 4.603 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.556 2.042 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 33 2.227 3.484 -6.736 1.00 0.00 H new ATOM 487 N GLN A 34 -3.706 0.159 -0.712 1.00 0.00 N ATOM 488 CA GLN A 34 -4.848 0.062 0.189 1.00 0.00 C ATOM 489 C GLN A 34 -4.398 -0.301 1.601 1.00 0.00 C ATOM 490 O GLN A 34 -4.912 0.232 2.584 1.00 0.00 O ATOM 491 CB GLN A 34 -5.843 -0.980 -0.325 1.00 0.00 C ATOM 492 CG GLN A 34 -6.893 -0.407 -1.264 1.00 0.00 C ATOM 493 CD GLN A 34 -7.612 0.790 -0.675 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.502 1.906 -1.183 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.354 0.564 0.403 1.00 0.00 N ATOM 0 H GLN A 34 -3.731 -0.493 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.337 1.036 0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.296 -1.768 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.342 -1.444 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.417 -0.116 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.621 -1.181 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.417 -0.377 0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.861 1.332 0.843 1.00 0.00 H new ATOM 504 N LYS A 35 -3.434 -1.211 1.693 1.00 0.00 N ATOM 505 CA LYS A 35 -2.912 -1.645 2.984 1.00 0.00 C ATOM 506 C LYS A 35 -2.087 -0.541 3.636 1.00 0.00 C ATOM 507 O LYS A 35 -2.079 -0.399 4.859 1.00 0.00 O ATOM 508 CB LYS A 35 -2.058 -2.903 2.814 1.00 0.00 C ATOM 509 CG LYS A 35 -2.825 -4.088 2.254 1.00 0.00 C ATOM 510 CD LYS A 35 -3.571 -4.836 3.346 1.00 0.00 C ATOM 511 CE LYS A 35 -4.604 -5.789 2.763 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.761 -5.060 2.173 1.00 0.00 N ATOM 0 H LYS A 35 -2.998 -1.662 0.889 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.758 -1.873 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.221 -2.677 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.635 -3.178 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.532 -3.741 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.134 -4.766 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.861 -5.395 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.064 -4.122 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.136 -6.408 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.959 -6.462 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.547 -5.723 2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.065 -4.307 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.480 -4.640 1.264 1.00 0.00 H new ATOM 526 N TYR A 36 -1.394 0.239 2.813 1.00 0.00 N ATOM 527 CA TYR A 36 -0.565 1.330 3.311 1.00 0.00 C ATOM 528 C TYR A 36 -1.426 2.462 3.861 1.00 0.00 C ATOM 529 O TYR A 36 -1.206 2.941 4.975 1.00 0.00 O ATOM 530 CB TYR A 36 0.341 1.858 2.197 1.00 0.00 C ATOM 531 CG TYR A 36 1.099 3.111 2.576 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.173 3.057 3.456 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.741 4.347 2.054 1.00 0.00 C ATOM 534 CE1 TYR A 36 2.867 4.199 3.806 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.431 5.494 2.397 1.00 0.00 C ATOM 536 CZ TYR A 36 2.493 5.415 3.273 1.00 0.00 C ATOM 537 OH TYR A 36 3.183 6.554 3.618 1.00 0.00 O ATOM 0 H TYR A 36 -1.390 0.136 1.798 1.00 0.00 H new ATOM 0 HA TYR A 36 0.053 0.943 4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.054 1.081 1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.264 2.063 1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.470 2.106 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.091 4.413 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.698 4.140 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.140 6.447 1.981 1.00 0.00 H new ATOM 0 HH TYR A 36 2.571 7.191 4.042 1.00 0.00 H new ATOM 547 N LEU A 37 -2.409 2.885 3.074 1.00 0.00 N ATOM 548 CA LEU A 37 -3.306 3.961 3.481 1.00 0.00 C ATOM 549 C LEU A 37 -3.908 3.678 4.853 1.00 0.00 C ATOM 550 O LEU A 37 -4.061 4.583 5.675 1.00 0.00 O ATOM 551 CB LEU A 37 -4.421 4.140 2.449 1.00 0.00 C ATOM 552 CG LEU A 37 -3.975 4.532 1.040 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.027 4.134 0.017 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.695 6.026 0.966 1.00 0.00 C ATOM 0 H LEU A 37 -2.605 2.499 2.150 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.725 4.881 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.982 3.208 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.109 4.902 2.816 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.053 3.998 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.692 4.421 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.179 3.055 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.965 4.640 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.379 6.287 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.600 6.579 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.905 6.284 1.672 1.00 0.00 H new ATOM 566 N LEU A 38 -4.246 2.417 5.097 1.00 0.00 N ATOM 567 CA LEU A 38 -4.829 2.013 6.371 1.00 0.00 C ATOM 568 C LEU A 38 -3.741 1.725 7.401 1.00 0.00 C ATOM 569 O LEU A 38 -3.914 1.988 8.591 1.00 0.00 O ATOM 570 CB LEU A 38 -5.709 0.776 6.183 1.00 0.00 C ATOM 571 CG LEU A 38 -5.005 -0.575 6.311 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.994 -1.036 7.760 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.678 -1.613 5.425 1.00 0.00 C ATOM 0 H LEU A 38 -4.126 1.656 4.428 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.443 2.835 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.515 0.814 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.171 0.830 5.197 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.973 -0.458 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.489 -1.999 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.467 -0.303 8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.019 -1.136 8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.164 -2.568 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.720 -1.727 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.633 -1.288 4.386 1.00 0.00 H new ATOM 585 N ASP A 39 -2.621 1.184 6.935 1.00 0.00 N ATOM 586 CA ASP A 39 -1.503 0.863 7.815 1.00 0.00 C ATOM 587 C ASP A 39 -0.183 1.324 7.206 1.00 0.00 C ATOM 588 O ASP A 39 0.334 0.704 6.277 1.00 0.00 O ATOM 589 CB ASP A 39 -1.456 -0.641 8.086 1.00 0.00 C ATOM 590 CG ASP A 39 -0.847 -0.967 9.436 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.187 -0.359 9.782 1.00 0.00 O ATOM 592 OD2 ASP A 39 -1.405 -1.830 10.146 1.00 0.00 O ATOM 0 H ASP A 39 -2.463 0.958 5.953 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.651 1.390 8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.466 -1.048 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.878 -1.131 7.302 1.00 0.00 H new ATOM 597 N SER A 40 0.357 2.418 7.735 1.00 0.00 N ATOM 598 CA SER A 40 1.615 2.965 7.240 1.00 0.00 C ATOM 599 C SER A 40 2.763 2.631 8.188 1.00 0.00 C ATOM 600 O SER A 40 3.926 2.897 7.889 1.00 0.00 O ATOM 601 CB SER A 40 1.504 4.482 7.070 1.00 0.00 C ATOM 602 OG SER A 40 0.399 4.823 6.252 1.00 0.00 O ATOM 0 H SER A 40 -0.057 2.942 8.506 1.00 0.00 H new ATOM 0 HA SER A 40 1.823 2.512 6.271 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.397 4.954 8.047 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.422 4.870 6.628 1.00 0.00 H new ATOM 0 HG SER A 40 0.022 4.010 5.856 1.00 0.00 H new ATOM 608 N ASN A 41 2.426 2.046 9.333 1.00 0.00 N ATOM 609 CA ASN A 41 3.427 1.676 10.326 1.00 0.00 C ATOM 610 C ASN A 41 3.258 0.220 10.752 1.00 0.00 C ATOM 611 O ASN A 41 3.265 -0.110 11.938 1.00 0.00 O ATOM 612 CB ASN A 41 3.328 2.591 11.547 1.00 0.00 C ATOM 613 CG ASN A 41 4.210 3.818 11.424 1.00 0.00 C ATOM 614 OD1 ASN A 41 5.469 3.607 11.057 1.00 0.00 O flip ATOM 615 ND2 ASN A 41 3.765 4.943 11.655 1.00 0.00 N flip ATOM 0 H ASN A 41 1.467 1.818 9.596 1.00 0.00 H new ATOM 0 HA ASN A 41 4.412 1.792 9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.292 2.904 11.680 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.610 2.033 12.440 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.791 5.059 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.371 5.759 11.567 1.00 0.00 H new ATOM 622 N PRO A 42 3.104 -0.672 9.762 1.00 0.00 N ATOM 623 CA PRO A 42 2.931 -2.106 10.010 1.00 0.00 C ATOM 624 C PRO A 42 4.205 -2.761 10.534 1.00 0.00 C ATOM 625 O PRO A 42 5.304 -2.235 10.359 1.00 0.00 O ATOM 626 CB PRO A 42 2.573 -2.664 8.630 1.00 0.00 C ATOM 627 CG PRO A 42 3.167 -1.697 7.665 1.00 0.00 C ATOM 628 CD PRO A 42 3.086 -0.349 8.326 1.00 0.00 C ATOM 0 HA PRO A 42 2.177 -2.300 10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.981 -3.665 8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.493 -2.739 8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.200 -1.958 7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.621 -1.702 6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.926 0.287 8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.177 0.182 8.045 1.00 0.00 H new ATOM 636 N THR A 43 4.050 -3.914 11.179 1.00 0.00 N ATOM 637 CA THR A 43 5.187 -4.641 11.729 1.00 0.00 C ATOM 638 C THR A 43 5.636 -5.753 10.789 1.00 0.00 C ATOM 639 O THR A 43 4.871 -6.206 9.937 1.00 0.00 O ATOM 640 CB THR A 43 4.852 -5.250 13.104 1.00 0.00 C ATOM 641 OG1 THR A 43 5.998 -5.928 13.631 1.00 0.00 O ATOM 642 CG2 THR A 43 3.687 -6.221 12.996 1.00 0.00 C ATOM 0 H THR A 43 3.148 -4.364 11.333 1.00 0.00 H new ATOM 0 HA THR A 43 5.996 -3.920 11.846 1.00 0.00 H new ATOM 0 HB THR A 43 4.568 -4.441 13.776 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.778 -6.311 14.506 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.469 -6.638 13.979 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.809 -5.695 12.622 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.947 -7.027 12.310 1.00 0.00 H new ATOM 650 N ARG A 44 6.881 -6.190 10.948 1.00 0.00 N ATOM 651 CA ARG A 44 7.432 -7.250 10.112 1.00 0.00 C ATOM 652 C ARG A 44 6.374 -8.306 9.806 1.00 0.00 C ATOM 653 O ARG A 44 6.236 -8.750 8.666 1.00 0.00 O ATOM 654 CB ARG A 44 8.633 -7.900 10.802 1.00 0.00 C ATOM 655 CG ARG A 44 9.582 -8.599 9.842 1.00 0.00 C ATOM 656 CD ARG A 44 10.655 -7.650 9.331 1.00 0.00 C ATOM 657 NE ARG A 44 11.555 -7.217 10.397 1.00 0.00 N ATOM 658 CZ ARG A 44 12.779 -6.750 10.180 1.00 0.00 C ATOM 659 NH1 ARG A 44 13.247 -6.656 8.943 1.00 0.00 N ATOM 660 NH2 ARG A 44 13.538 -6.375 11.202 1.00 0.00 N ATOM 0 H ARG A 44 7.527 -5.826 11.648 1.00 0.00 H new ATOM 0 HA ARG A 44 7.759 -6.805 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.183 -7.136 11.351 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.273 -8.623 11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.052 -9.445 10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.019 -9.001 9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.231 -8.142 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.182 -6.778 8.879 1.00 0.00 H new ATOM 0 HE ARG A 44 11.225 -7.277 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.666 -6.943 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.188 -6.297 8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.181 -6.445 12.155 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.478 -6.016 11.035 1.00 0.00 H new ATOM 674 N LYS A 45 5.630 -8.705 10.832 1.00 0.00 N ATOM 675 CA LYS A 45 4.583 -9.708 10.674 1.00 0.00 C ATOM 676 C LYS A 45 3.653 -9.347 9.521 1.00 0.00 C ATOM 677 O LYS A 45 3.447 -10.142 8.604 1.00 0.00 O ATOM 678 CB LYS A 45 3.780 -9.845 11.969 1.00 0.00 C ATOM 679 CG LYS A 45 3.003 -11.147 12.069 1.00 0.00 C ATOM 680 CD LYS A 45 3.898 -12.297 12.500 1.00 0.00 C ATOM 681 CE LYS A 45 4.216 -12.230 13.985 1.00 0.00 C ATOM 682 NZ LYS A 45 5.174 -13.293 14.396 1.00 0.00 N ATOM 0 H LYS A 45 5.733 -8.349 11.782 1.00 0.00 H new ATOM 0 HA LYS A 45 5.059 -10.662 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.460 -9.772 12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.084 -9.010 12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.188 -11.032 12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.551 -11.378 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.409 -13.244 12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.825 -12.272 11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.635 -11.252 14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.295 -12.330 14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.365 -13.213 15.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.764 -14.227 14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.063 -13.182 13.868 1.00 0.00 H new ATOM 696 N MET A 46 3.093 -8.142 9.573 1.00 0.00 N ATOM 697 CA MET A 46 2.186 -7.675 8.531 1.00 0.00 C ATOM 698 C MET A 46 2.866 -7.704 7.166 1.00 0.00 C ATOM 699 O MET A 46 2.380 -8.344 6.232 1.00 0.00 O ATOM 700 CB MET A 46 1.703 -6.258 8.843 1.00 0.00 C ATOM 701 CG MET A 46 1.075 -6.119 10.221 1.00 0.00 C ATOM 702 SD MET A 46 -0.698 -6.445 10.211 1.00 0.00 S ATOM 703 CE MET A 46 -0.724 -8.170 9.732 1.00 0.00 C ATOM 0 H MET A 46 3.252 -7.472 10.325 1.00 0.00 H new ATOM 0 HA MET A 46 1.327 -8.346 8.504 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.545 -5.571 8.766 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.976 -5.957 8.089 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.563 -6.808 10.910 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.253 -5.112 10.598 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.640 -8.635 10.096 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.685 -8.247 8.645 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.137 -8.680 10.163 1.00 0.00 H new ATOM 713 N LEU A 47 3.992 -7.008 7.056 1.00 0.00 N ATOM 714 CA LEU A 47 4.739 -6.954 5.804 1.00 0.00 C ATOM 715 C LEU A 47 4.895 -8.347 5.202 1.00 0.00 C ATOM 716 O LEU A 47 4.830 -8.519 3.985 1.00 0.00 O ATOM 717 CB LEU A 47 6.116 -6.329 6.035 1.00 0.00 C ATOM 718 CG LEU A 47 6.124 -4.852 6.432 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.530 -4.408 6.806 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.575 -3.994 5.302 1.00 0.00 C ATOM 0 H LEU A 47 4.408 -6.473 7.818 1.00 0.00 H new ATOM 0 HA LEU A 47 4.179 -6.336 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.625 -6.897 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.702 -6.443 5.123 1.00 0.00 H new ATOM 0 HG LEU A 47 5.481 -4.726 7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.517 -3.355 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.888 -5.002 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.195 -4.549 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.588 -2.946 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.192 -4.125 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.551 -4.295 5.081 1.00 0.00 H new ATOM 732 N ASP A 48 5.099 -9.338 6.063 1.00 0.00 N ATOM 733 CA ASP A 48 5.261 -10.717 5.617 1.00 0.00 C ATOM 734 C ASP A 48 3.952 -11.263 5.055 1.00 0.00 C ATOM 735 O ASP A 48 3.925 -11.845 3.970 1.00 0.00 O ATOM 736 CB ASP A 48 5.741 -11.597 6.773 1.00 0.00 C ATOM 737 CG ASP A 48 6.266 -12.938 6.300 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.349 -12.965 5.679 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.595 -13.960 6.553 1.00 0.00 O ATOM 0 H ASP A 48 5.156 -9.212 7.074 1.00 0.00 H new ATOM 0 HA ASP A 48 6.010 -10.731 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.526 -11.076 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.918 -11.757 7.470 1.00 0.00 H new ATOM 744 N HIS A 49 2.868 -11.073 5.801 1.00 0.00 N ATOM 745 CA HIS A 49 1.556 -11.548 5.377 1.00 0.00 C ATOM 746 C HIS A 49 1.123 -10.864 4.084 1.00 0.00 C ATOM 747 O HIS A 49 0.849 -11.526 3.082 1.00 0.00 O ATOM 748 CB HIS A 49 0.520 -11.294 6.473 1.00 0.00 C ATOM 749 CG HIS A 49 -0.829 -11.868 6.167 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.111 -13.215 6.253 1.00 0.00 N ATOM 751 CD2 HIS A 49 -1.977 -11.269 5.774 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.374 -13.420 5.925 1.00 0.00 C ATOM 753 NE2 HIS A 49 -2.923 -12.255 5.631 1.00 0.00 N ATOM 0 H HIS A 49 2.873 -10.594 6.701 1.00 0.00 H new ATOM 0 HA HIS A 49 1.626 -12.620 5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.882 -11.718 7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.422 -10.219 6.627 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.123 -10.212 5.604 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.873 -14.377 5.901 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.891 -12.111 5.345 1.00 0.00 H new ATOM 762 N ILE A 50 1.062 -9.537 4.113 1.00 0.00 N ATOM 763 CA ILE A 50 0.662 -8.765 2.943 1.00 0.00 C ATOM 764 C ILE A 50 1.401 -9.236 1.695 1.00 0.00 C ATOM 765 O ILE A 50 0.797 -9.434 0.642 1.00 0.00 O ATOM 766 CB ILE A 50 0.924 -7.261 3.145 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.168 -6.749 4.372 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.519 -6.481 1.903 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.858 -5.599 5.071 1.00 0.00 C ATOM 0 H ILE A 50 1.284 -8.974 4.934 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.408 -8.924 2.810 1.00 0.00 H new ATOM 0 HB ILE A 50 1.991 -7.113 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.830 -6.433 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.041 -7.569 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.710 -5.420 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.099 -6.831 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.543 -6.633 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.265 -5.288 5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.845 -5.917 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.961 -4.762 4.380 1.00 0.00 H new ATOM 781 N ALA A 51 2.712 -9.414 1.823 1.00 0.00 N ATOM 782 CA ALA A 51 3.534 -9.865 0.706 1.00 0.00 C ATOM 783 C ALA A 51 3.161 -11.284 0.289 1.00 0.00 C ATOM 784 O ALA A 51 3.440 -11.705 -0.835 1.00 0.00 O ATOM 785 CB ALA A 51 5.009 -9.792 1.073 1.00 0.00 C ATOM 0 H ALA A 51 3.227 -9.253 2.688 1.00 0.00 H new ATOM 0 HA ALA A 51 3.348 -9.204 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.611 -10.132 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.273 -8.763 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.201 -10.429 1.936 1.00 0.00 H new ATOM 791 N HIS A 52 2.529 -12.018 1.200 1.00 0.00 N ATOM 792 CA HIS A 52 2.118 -13.390 0.925 1.00 0.00 C ATOM 793 C HIS A 52 0.800 -13.419 0.157 1.00 0.00 C ATOM 794 O HIS A 52 0.587 -14.279 -0.696 1.00 0.00 O ATOM 795 CB HIS A 52 1.979 -14.174 2.230 1.00 0.00 C ATOM 796 CG HIS A 52 1.510 -15.583 2.036 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.359 -16.622 1.719 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.271 -16.122 2.116 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.663 -17.740 1.612 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.393 -17.464 1.848 1.00 0.00 N ATOM 0 H HIS A 52 2.291 -11.685 2.134 1.00 0.00 H new ATOM 0 HA HIS A 52 2.887 -13.857 0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.942 -14.188 2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.279 -13.654 2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.643 -15.595 2.347 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.064 -18.714 1.372 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.373 -18.138 1.834 1.00 0.00 H new ATOM 809 N GLU A 53 -0.081 -12.473 0.468 1.00 0.00 N ATOM 810 CA GLU A 53 -1.379 -12.392 -0.192 1.00 0.00 C ATOM 811 C GLU A 53 -1.251 -11.739 -1.565 1.00 0.00 C ATOM 812 O GLU A 53 -1.943 -12.116 -2.511 1.00 0.00 O ATOM 813 CB GLU A 53 -2.367 -11.604 0.671 1.00 0.00 C ATOM 814 CG GLU A 53 -2.305 -10.102 0.447 1.00 0.00 C ATOM 815 CD GLU A 53 -3.437 -9.363 1.135 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.592 -9.490 0.680 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.165 -8.658 2.130 1.00 0.00 O ATOM 0 H GLU A 53 0.080 -11.753 1.172 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.754 -13.407 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.378 -11.953 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.168 -11.815 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.352 -9.722 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.339 -9.896 -0.623 1.00 0.00 H new ATOM 824 N VAL A 54 -0.362 -10.757 -1.666 1.00 0.00 N ATOM 825 CA VAL A 54 -0.142 -10.051 -2.923 1.00 0.00 C ATOM 826 C VAL A 54 0.707 -10.881 -3.879 1.00 0.00 C ATOM 827 O VAL A 54 0.659 -10.691 -5.093 1.00 0.00 O ATOM 828 CB VAL A 54 0.547 -8.693 -2.690 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.419 -7.811 -3.923 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.038 -8.002 -1.468 1.00 0.00 C ATOM 0 H VAL A 54 0.218 -10.432 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.123 -9.882 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 54 1.607 -8.870 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.911 -6.856 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.889 -8.304 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.635 -7.640 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.460 -7.044 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.105 -7.836 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.110 -8.630 -0.589 1.00 0.00 H new ATOM 840 N GLY A 55 1.484 -11.805 -3.322 1.00 0.00 N ATOM 841 CA GLY A 55 2.333 -12.652 -4.139 1.00 0.00 C ATOM 842 C GLY A 55 3.553 -11.919 -4.660 1.00 0.00 C ATOM 843 O GLY A 55 3.976 -12.133 -5.797 1.00 0.00 O ATOM 0 H GLY A 55 1.541 -11.982 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.653 -13.514 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.756 -13.036 -4.981 1.00 0.00 H new ATOM 847 N LEU A 56 4.120 -11.052 -3.829 1.00 0.00 N ATOM 848 CA LEU A 56 5.300 -10.284 -4.212 1.00 0.00 C ATOM 849 C LEU A 56 6.408 -10.434 -3.176 1.00 0.00 C ATOM 850 O LEU A 56 6.148 -10.479 -1.974 1.00 0.00 O ATOM 851 CB LEU A 56 4.938 -8.807 -4.378 1.00 0.00 C ATOM 852 CG LEU A 56 5.836 -7.997 -5.313 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.743 -8.527 -6.736 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.463 -6.522 -5.266 1.00 0.00 C ATOM 0 H LEU A 56 3.782 -10.863 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 56 5.663 -10.673 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.914 -8.744 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.953 -8.337 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 56 6.867 -8.102 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.389 -7.938 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.060 -9.570 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.713 -8.454 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.113 -5.961 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.426 -6.399 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.583 -6.149 -4.249 1.00 0.00 H new ATOM 866 N LYS A 57 7.647 -10.510 -3.650 1.00 0.00 N ATOM 867 CA LYS A 57 8.798 -10.652 -2.765 1.00 0.00 C ATOM 868 C LYS A 57 8.612 -9.829 -1.495 1.00 0.00 C ATOM 869 O LYS A 57 8.434 -8.612 -1.551 1.00 0.00 O ATOM 870 CB LYS A 57 10.077 -10.218 -3.485 1.00 0.00 C ATOM 871 CG LYS A 57 10.372 -11.021 -4.740 1.00 0.00 C ATOM 872 CD LYS A 57 11.226 -12.240 -4.434 1.00 0.00 C ATOM 873 CE LYS A 57 12.689 -11.864 -4.256 1.00 0.00 C ATOM 874 NZ LYS A 57 12.973 -11.379 -2.877 1.00 0.00 N ATOM 0 H LYS A 57 7.880 -10.476 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 57 8.884 -11.702 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.995 -9.164 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.919 -10.310 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.435 -11.338 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.885 -10.389 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.861 -12.724 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.131 -12.965 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.315 -12.729 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.955 -11.090 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.905 -11.726 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.971 -10.339 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.242 -11.733 -2.227 1.00 0.00 H new ATOM 888 N LYS A 58 8.656 -10.500 -0.349 1.00 0.00 N ATOM 889 CA LYS A 58 8.496 -9.831 0.937 1.00 0.00 C ATOM 890 C LYS A 58 9.356 -8.574 1.007 1.00 0.00 C ATOM 891 O LYS A 58 8.898 -7.520 1.449 1.00 0.00 O ATOM 892 CB LYS A 58 8.866 -10.780 2.079 1.00 0.00 C ATOM 893 CG LYS A 58 8.105 -10.511 3.365 1.00 0.00 C ATOM 894 CD LYS A 58 8.563 -9.221 4.024 1.00 0.00 C ATOM 895 CE LYS A 58 8.413 -9.284 5.537 1.00 0.00 C ATOM 896 NZ LYS A 58 9.083 -8.137 6.209 1.00 0.00 N ATOM 0 H LYS A 58 8.801 -11.508 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 58 7.450 -9.540 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.677 -11.806 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.935 -10.699 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.038 -10.453 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.248 -11.343 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.605 -9.031 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.981 -8.386 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.354 -9.289 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.836 -10.218 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.753 -8.070 7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.113 -8.282 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.852 -7.257 5.706 1.00 0.00 H new ATOM 910 N ARG A 59 10.605 -8.691 0.568 1.00 0.00 N ATOM 911 CA ARG A 59 11.529 -7.564 0.581 1.00 0.00 C ATOM 912 C ARG A 59 10.949 -6.376 -0.182 1.00 0.00 C ATOM 913 O ARG A 59 10.836 -5.275 0.356 1.00 0.00 O ATOM 914 CB ARG A 59 12.871 -7.970 -0.031 1.00 0.00 C ATOM 915 CG ARG A 59 14.024 -7.066 0.374 1.00 0.00 C ATOM 916 CD ARG A 59 14.446 -7.313 1.814 1.00 0.00 C ATOM 917 NE ARG A 59 15.097 -8.610 1.979 1.00 0.00 N ATOM 918 CZ ARG A 59 15.809 -8.944 3.049 1.00 0.00 C ATOM 919 NH1 ARG A 59 15.962 -8.080 4.044 1.00 0.00 N ATOM 920 NH2 ARG A 59 16.372 -10.143 3.126 1.00 0.00 N ATOM 0 H ARG A 59 11.000 -9.556 0.199 1.00 0.00 H new ATOM 0 HA ARG A 59 11.685 -7.267 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.101 -8.993 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.781 -7.966 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.872 -7.237 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.730 -6.023 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.126 -6.523 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.571 -7.262 2.462 1.00 0.00 H new ATOM 0 HE ARG A 59 14.999 -9.297 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.532 -7.157 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.509 -8.339 4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.258 -10.810 2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.919 -10.398 3.949 1.00 0.00 H new ATOM 934 N VAL A 60 10.582 -6.609 -1.439 1.00 0.00 N ATOM 935 CA VAL A 60 10.013 -5.559 -2.275 1.00 0.00 C ATOM 936 C VAL A 60 8.809 -4.911 -1.601 1.00 0.00 C ATOM 937 O VAL A 60 8.621 -3.697 -1.677 1.00 0.00 O ATOM 938 CB VAL A 60 9.585 -6.107 -3.650 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.972 -5.003 -4.498 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.769 -6.743 -4.362 1.00 0.00 C ATOM 0 H VAL A 60 10.669 -7.515 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 60 10.792 -4.810 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 60 8.828 -6.876 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.676 -5.409 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.096 -4.598 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.704 -4.209 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.448 -7.125 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.550 -5.997 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.158 -7.564 -3.759 1.00 0.00 H new ATOM 950 N VAL A 61 7.996 -5.729 -0.940 1.00 0.00 N ATOM 951 CA VAL A 61 6.810 -5.236 -0.250 1.00 0.00 C ATOM 952 C VAL A 61 7.188 -4.478 1.018 1.00 0.00 C ATOM 953 O VAL A 61 6.544 -3.494 1.378 1.00 0.00 O ATOM 954 CB VAL A 61 5.855 -6.387 0.117 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.650 -5.858 0.879 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.419 -7.137 -1.132 1.00 0.00 C ATOM 0 H VAL A 61 8.137 -6.737 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 61 6.302 -4.559 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 61 6.387 -7.085 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.986 -6.685 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.984 -5.370 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.115 -5.139 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.745 -7.947 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.905 -6.452 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.295 -7.550 -1.633 1.00 0.00 H new ATOM 966 N GLN A 62 8.236 -4.945 1.689 1.00 0.00 N ATOM 967 CA GLN A 62 8.698 -4.311 2.918 1.00 0.00 C ATOM 968 C GLN A 62 9.302 -2.940 2.629 1.00 0.00 C ATOM 969 O GLN A 62 8.973 -1.954 3.289 1.00 0.00 O ATOM 970 CB GLN A 62 9.730 -5.198 3.617 1.00 0.00 C ATOM 971 CG GLN A 62 10.648 -4.436 4.559 1.00 0.00 C ATOM 972 CD GLN A 62 11.581 -5.350 5.331 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.625 -5.315 6.561 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.332 -6.174 4.610 1.00 0.00 N ATOM 0 H GLN A 62 8.780 -5.759 1.403 1.00 0.00 H new ATOM 0 HA GLN A 62 7.838 -4.179 3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.209 -5.974 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.334 -5.702 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.238 -3.721 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.045 -3.861 5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.262 -6.169 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.978 -6.812 5.074 1.00 0.00 H new ATOM 983 N VAL A 63 10.187 -2.885 1.639 1.00 0.00 N ATOM 984 CA VAL A 63 10.836 -1.635 1.262 1.00 0.00 C ATOM 985 C VAL A 63 9.841 -0.669 0.627 1.00 0.00 C ATOM 986 O VAL A 63 9.853 0.528 0.915 1.00 0.00 O ATOM 987 CB VAL A 63 11.997 -1.879 0.280 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.630 -0.560 -0.136 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.032 -2.805 0.900 1.00 0.00 C ATOM 0 H VAL A 63 10.471 -3.692 1.083 1.00 0.00 H new ATOM 0 HA VAL A 63 11.231 -1.195 2.177 1.00 0.00 H new ATOM 0 HB VAL A 63 11.600 -2.361 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.448 -0.752 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.881 0.066 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 63 13.015 -0.047 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.845 -2.967 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.427 -2.352 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.567 -3.760 1.143 1.00 0.00 H new ATOM 999 N TRP A 64 8.983 -1.197 -0.238 1.00 0.00 N ATOM 1000 CA TRP A 64 7.981 -0.382 -0.914 1.00 0.00 C ATOM 1001 C TRP A 64 7.236 0.502 0.080 1.00 0.00 C ATOM 1002 O TRP A 64 6.720 1.560 -0.280 1.00 0.00 O ATOM 1003 CB TRP A 64 6.990 -1.273 -1.665 1.00 0.00 C ATOM 1004 CG TRP A 64 5.972 -0.501 -2.448 1.00 0.00 C ATOM 1005 CD1 TRP A 64 6.036 -0.167 -3.770 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.738 0.034 -1.956 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.917 0.544 -4.131 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.104 0.680 -3.036 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.106 0.029 -0.710 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.872 1.314 -2.904 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.883 0.658 -0.581 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.276 1.293 -1.672 1.00 0.00 C ATOM 0 H TRP A 64 8.961 -2.186 -0.488 1.00 0.00 H new ATOM 0 HA TRP A 64 8.495 0.261 -1.629 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.541 -1.926 -2.343 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.477 -1.916 -0.950 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.847 -0.424 -4.435 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.723 0.911 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.566 -0.458 0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.403 1.805 -3.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.386 0.660 0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.319 1.775 -1.539 1.00 0.00 H new ATOM 1023 N PHE A 65 7.185 0.062 1.333 1.00 0.00 N ATOM 1024 CA PHE A 65 6.503 0.814 2.380 1.00 0.00 C ATOM 1025 C PHE A 65 7.406 1.910 2.939 1.00 0.00 C ATOM 1026 O PHE A 65 7.013 3.074 3.013 1.00 0.00 O ATOM 1027 CB PHE A 65 6.062 -0.124 3.506 1.00 0.00 C ATOM 1028 CG PHE A 65 4.688 -0.696 3.306 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.418 -1.523 2.228 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.667 -0.407 4.197 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.154 -2.050 2.041 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.401 -0.932 4.016 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.144 -1.755 2.937 1.00 0.00 C ATOM 0 H PHE A 65 7.608 -0.811 1.648 1.00 0.00 H new ATOM 0 HA PHE A 65 5.622 1.283 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.779 -0.941 3.589 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.087 0.419 4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.204 -1.759 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.862 0.236 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.956 -2.692 1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.614 -0.699 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.156 -2.167 2.794 1.00 0.00 H new ATOM 1043 N GLN A 66 8.617 1.528 3.332 1.00 0.00 N ATOM 1044 CA GLN A 66 9.575 2.477 3.886 1.00 0.00 C ATOM 1045 C GLN A 66 9.872 3.594 2.890 1.00 0.00 C ATOM 1046 O GLN A 66 10.120 4.734 3.279 1.00 0.00 O ATOM 1047 CB GLN A 66 10.871 1.761 4.269 1.00 0.00 C ATOM 1048 CG GLN A 66 11.817 1.547 3.099 1.00 0.00 C ATOM 1049 CD GLN A 66 13.198 1.103 3.538 1.00 0.00 C ATOM 1050 OE1 GLN A 66 13.395 -0.206 3.641 1.00 0.00 O flip ATOM 1051 NE2 GLN A 66 14.079 1.928 3.783 1.00 0.00 N flip ATOM 0 H GLN A 66 8.958 0.568 3.277 1.00 0.00 H new ATOM 0 HA GLN A 66 9.135 2.919 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.383 2.340 5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.626 0.794 4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.395 0.799 2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.901 2.473 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.884 2.925 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.004 1.614 4.078 1.00 0.00 H new ATOM 1060 N ASN A 67 9.845 3.257 1.605 1.00 0.00 N ATOM 1061 CA ASN A 67 10.113 4.231 0.554 1.00 0.00 C ATOM 1062 C ASN A 67 8.971 5.236 0.439 1.00 0.00 C ATOM 1063 O ASN A 67 9.194 6.446 0.397 1.00 0.00 O ATOM 1064 CB ASN A 67 10.320 3.523 -0.786 1.00 0.00 C ATOM 1065 CG ASN A 67 11.725 2.971 -0.938 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.684 3.531 -0.406 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.852 1.869 -1.668 1.00 0.00 N ATOM 0 H ASN A 67 9.640 2.317 1.267 1.00 0.00 H new ATOM 0 HA ASN A 67 11.023 4.770 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.601 2.709 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.117 4.221 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.773 1.452 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.029 1.439 -2.090 1.00 0.00 H new ATOM 1074 N THR A 68 7.744 4.726 0.391 1.00 0.00 N ATOM 1075 CA THR A 68 6.566 5.577 0.281 1.00 0.00 C ATOM 1076 C THR A 68 6.539 6.624 1.388 1.00 0.00 C ATOM 1077 O THR A 68 6.360 7.814 1.126 1.00 0.00 O ATOM 1078 CB THR A 68 5.268 4.750 0.340 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.254 3.784 -0.716 1.00 0.00 O ATOM 1080 CG2 THR A 68 4.047 5.651 0.227 1.00 0.00 C ATOM 0 H THR A 68 7.541 3.727 0.427 1.00 0.00 H new ATOM 0 HA THR A 68 6.626 6.076 -0.686 1.00 0.00 H new ATOM 0 HB THR A 68 5.233 4.237 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.589 2.927 -0.380 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.142 5.045 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.045 6.366 1.050 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.078 6.188 -0.721 1.00 0.00 H new ATOM 1088 N ARG A 69 6.719 6.175 2.626 1.00 0.00 N ATOM 1089 CA ARG A 69 6.715 7.074 3.773 1.00 0.00 C ATOM 1090 C ARG A 69 7.699 8.222 3.568 1.00 0.00 C ATOM 1091 O ARG A 69 7.363 9.386 3.781 1.00 0.00 O ATOM 1092 CB ARG A 69 7.068 6.308 5.050 1.00 0.00 C ATOM 1093 CG ARG A 69 5.860 5.729 5.767 1.00 0.00 C ATOM 1094 CD ARG A 69 6.193 5.345 7.200 1.00 0.00 C ATOM 1095 NE ARG A 69 5.965 6.448 8.130 1.00 0.00 N ATOM 1096 CZ ARG A 69 6.578 6.559 9.303 1.00 0.00 C ATOM 1097 NH1 ARG A 69 7.452 5.639 9.688 1.00 0.00 N ATOM 1098 NH2 ARG A 69 6.318 7.592 10.094 1.00 0.00 N ATOM 0 H ARG A 69 6.869 5.194 2.860 1.00 0.00 H new ATOM 0 HA ARG A 69 5.713 7.491 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.754 5.499 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.597 6.976 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.050 6.458 5.764 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.502 4.852 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.586 4.490 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.235 5.031 7.258 1.00 0.00 H new ATOM 0 HE ARG A 69 5.298 7.173 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.655 4.843 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.921 5.727 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.647 8.302 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.789 7.676 10.995 1.00 0.00 H new ATOM 1112 N ALA A 70 8.916 7.885 3.153 1.00 0.00 N ATOM 1113 CA ALA A 70 9.948 8.887 2.917 1.00 0.00 C ATOM 1114 C ALA A 70 9.388 10.083 2.154 1.00 0.00 C ATOM 1115 O ALA A 70 9.711 11.231 2.458 1.00 0.00 O ATOM 1116 CB ALA A 70 11.115 8.274 2.159 1.00 0.00 C ATOM 0 H ALA A 70 9.211 6.925 2.973 1.00 0.00 H new ATOM 0 HA ALA A 70 10.304 9.241 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.878 9.034 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.539 7.457 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.765 7.891 1.200 1.00 0.00 H new ATOM 1122 N ARG A 71 8.547 9.805 1.163 1.00 0.00 N ATOM 1123 CA ARG A 71 7.944 10.858 0.355 1.00 0.00 C ATOM 1124 C ARG A 71 6.893 11.623 1.156 1.00 0.00 C ATOM 1125 O ARG A 71 6.944 12.848 1.251 1.00 0.00 O ATOM 1126 CB ARG A 71 7.309 10.265 -0.904 1.00 0.00 C ATOM 1127 CG ARG A 71 8.301 9.551 -1.807 1.00 0.00 C ATOM 1128 CD ARG A 71 7.603 8.573 -2.739 1.00 0.00 C ATOM 1129 NE ARG A 71 8.550 7.691 -3.416 1.00 0.00 N ATOM 1130 CZ ARG A 71 8.184 6.672 -4.185 1.00 0.00 C ATOM 1131 NH1 ARG A 71 6.898 6.408 -4.375 1.00 0.00 N ATOM 1132 NH2 ARG A 71 9.104 5.914 -4.768 1.00 0.00 N ATOM 0 H ARG A 71 8.268 8.860 0.901 1.00 0.00 H new ATOM 0 HA ARG A 71 8.731 11.553 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.527 9.564 -0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.826 11.063 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.853 10.285 -2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.030 9.017 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.893 7.974 -2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.029 9.127 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 71 9.547 7.867 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.187 6.988 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.620 5.625 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.094 6.114 -4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.821 5.132 -5.358 1.00 0.00 H new ATOM 1146 N GLU A 72 5.943 10.889 1.727 1.00 0.00 N ATOM 1147 CA GLU A 72 4.880 11.499 2.518 1.00 0.00 C ATOM 1148 C GLU A 72 5.456 12.450 3.563 1.00 0.00 C ATOM 1149 O GLU A 72 4.944 13.551 3.765 1.00 0.00 O ATOM 1150 CB GLU A 72 4.040 10.420 3.203 1.00 0.00 C ATOM 1151 CG GLU A 72 2.869 9.935 2.363 1.00 0.00 C ATOM 1152 CD GLU A 72 1.677 10.870 2.430 1.00 0.00 C ATOM 1153 OE1 GLU A 72 1.435 11.447 3.511 1.00 0.00 O ATOM 1154 OE2 GLU A 72 0.987 11.025 1.401 1.00 0.00 O ATOM 0 H GLU A 72 5.888 9.873 1.657 1.00 0.00 H new ATOM 0 HA GLU A 72 4.243 12.071 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.680 9.571 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.661 10.811 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.188 9.833 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.568 8.944 2.703 1.00 0.00 H new ATOM 1161 N ARG A 73 6.525 12.016 4.224 1.00 0.00 N ATOM 1162 CA ARG A 73 7.170 12.827 5.249 1.00 0.00 C ATOM 1163 C ARG A 73 7.898 14.014 4.625 1.00 0.00 C ATOM 1164 O ARG A 73 8.167 15.013 5.294 1.00 0.00 O ATOM 1165 CB ARG A 73 8.155 11.978 6.056 1.00 0.00 C ATOM 1166 CG ARG A 73 9.445 11.673 5.314 1.00 0.00 C ATOM 1167 CD ARG A 73 10.536 11.201 6.263 1.00 0.00 C ATOM 1168 NE ARG A 73 11.048 12.289 7.092 1.00 0.00 N ATOM 1169 CZ ARG A 73 12.251 12.279 7.656 1.00 0.00 C ATOM 1170 NH1 ARG A 73 13.061 11.244 7.480 1.00 0.00 N ATOM 1171 NH2 ARG A 73 12.646 13.307 8.396 1.00 0.00 N ATOM 0 H ARG A 73 6.962 11.108 4.068 1.00 0.00 H new ATOM 0 HA ARG A 73 6.396 13.207 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.394 12.497 6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.673 11.040 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.260 10.907 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.782 12.565 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.143 10.411 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.354 10.767 5.688 1.00 0.00 H new ATOM 0 HE ARG A 73 10.450 13.100 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.761 10.453 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.984 11.239 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.026 14.105 8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.570 13.299 8.829 1.00 0.00 H new ATOM 1185 N LYS A 74 8.214 13.899 3.340 1.00 0.00 N ATOM 1186 CA LYS A 74 8.910 14.962 2.625 1.00 0.00 C ATOM 1187 C LYS A 74 7.930 16.029 2.149 1.00 0.00 C ATOM 1188 O LYS A 74 7.997 16.482 1.006 1.00 0.00 O ATOM 1189 CB LYS A 74 9.673 14.386 1.429 1.00 0.00 C ATOM 1190 CG LYS A 74 10.926 15.166 1.074 1.00 0.00 C ATOM 1191 CD LYS A 74 12.142 14.639 1.818 1.00 0.00 C ATOM 1192 CE LYS A 74 13.434 15.186 1.233 1.00 0.00 C ATOM 1193 NZ LYS A 74 14.609 14.871 2.093 1.00 0.00 N ATOM 0 H LYS A 74 7.999 13.080 2.772 1.00 0.00 H new ATOM 0 HA LYS A 74 9.619 15.424 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.947 13.354 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.011 14.364 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.101 15.105 -0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.780 16.219 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.073 14.914 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.153 13.550 1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.589 14.767 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.350 16.266 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.471 15.261 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.473 15.292 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.705 13.840 2.186 1.00 0.00 H new ATOM 1207 N SER A 75 7.021 16.428 3.033 1.00 0.00 N ATOM 1208 CA SER A 75 6.026 17.441 2.702 1.00 0.00 C ATOM 1209 C SER A 75 6.631 18.840 2.770 1.00 0.00 C ATOM 1210 O SER A 75 6.457 19.649 1.860 1.00 0.00 O ATOM 1211 CB SER A 75 4.832 17.343 3.654 1.00 0.00 C ATOM 1212 OG SER A 75 3.864 16.431 3.165 1.00 0.00 O ATOM 0 H SER A 75 6.953 16.065 3.984 1.00 0.00 H new ATOM 0 HA SER A 75 5.685 17.261 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.173 17.023 4.639 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.380 18.327 3.778 1.00 0.00 H new ATOM 0 HG SER A 75 4.150 15.514 3.360 1.00 0.00 H new ATOM 1218 N GLY A 76 7.345 19.118 3.857 1.00 0.00 N ATOM 1219 CA GLY A 76 7.966 20.418 4.025 1.00 0.00 C ATOM 1220 C GLY A 76 9.153 20.617 3.104 1.00 0.00 C ATOM 1221 O GLY A 76 9.013 21.045 1.959 1.00 0.00 O ATOM 0 H GLY A 76 7.504 18.465 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.228 21.197 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.290 20.532 5.060 1.00 0.00 H new ATOM 1225 N PRO A 77 10.356 20.304 3.608 1.00 0.00 N ATOM 1226 CA PRO A 77 11.597 20.444 2.839 1.00 0.00 C ATOM 1227 C PRO A 77 11.696 19.426 1.709 1.00 0.00 C ATOM 1228 O PRO A 77 11.567 18.222 1.931 1.00 0.00 O ATOM 1229 CB PRO A 77 12.690 20.194 3.882 1.00 0.00 C ATOM 1230 CG PRO A 77 12.036 19.350 4.921 1.00 0.00 C ATOM 1231 CD PRO A 77 10.598 19.789 4.966 1.00 0.00 C ATOM 0 HA PRO A 77 11.668 21.417 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.548 19.686 3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 77 13.056 21.130 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.113 18.292 4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.515 19.483 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.932 18.960 5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.436 20.557 5.722 1.00 0.00 H new ATOM 1239 N SER A 78 11.926 19.916 0.495 1.00 0.00 N ATOM 1240 CA SER A 78 12.040 19.049 -0.672 1.00 0.00 C ATOM 1241 C SER A 78 13.300 19.372 -1.468 1.00 0.00 C ATOM 1242 O SER A 78 13.957 20.384 -1.228 1.00 0.00 O ATOM 1243 CB SER A 78 10.806 19.196 -1.565 1.00 0.00 C ATOM 1244 OG SER A 78 10.647 20.536 -1.997 1.00 0.00 O ATOM 0 H SER A 78 12.037 20.910 0.294 1.00 0.00 H new ATOM 0 HA SER A 78 12.107 18.018 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.899 18.540 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.918 18.879 -1.019 1.00 0.00 H new ATOM 0 HG SER A 78 9.853 20.604 -2.567 1.00 0.00 H new ATOM 1250 N SER A 79 13.631 18.503 -2.418 1.00 0.00 N ATOM 1251 CA SER A 79 14.814 18.692 -3.249 1.00 0.00 C ATOM 1252 C SER A 79 15.044 20.172 -3.537 1.00 0.00 C ATOM 1253 O SER A 79 14.289 20.796 -4.282 1.00 0.00 O ATOM 1254 CB SER A 79 14.670 17.921 -4.562 1.00 0.00 C ATOM 1255 OG SER A 79 15.791 18.131 -5.403 1.00 0.00 O ATOM 0 H SER A 79 13.096 17.661 -2.631 1.00 0.00 H new ATOM 0 HA SER A 79 15.676 18.308 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.563 16.857 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.762 18.237 -5.075 1.00 0.00 H new ATOM 0 HG SER A 79 15.675 17.626 -6.235 1.00 0.00 H new ATOM 1261 N GLY A 80 16.095 20.729 -2.941 1.00 0.00 N ATOM 1262 CA GLY A 80 16.406 22.131 -3.146 1.00 0.00 C ATOM 1263 C GLY A 80 17.629 22.573 -2.366 1.00 0.00 C ATOM 1264 O GLY A 80 18.028 21.920 -1.402 1.00 0.00 O ATOM 0 H GLY A 80 16.736 20.234 -2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.571 22.312 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.550 22.737 -2.849 1.00 0.00 H new TER 1268 GLY A 80