USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.0036) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -138:sc= 1.28 (180deg=0.0758) USER MOD Set 2.2: A 59 SER OG : rot -150:sc= 0 USER MOD Set 3.1: A 57 THR OG1 : rot -16:sc= 1.01 USER MOD Set 3.2: A 94 THR OG1 : rot 90:sc= 1.12 USER MOD Set 4.1: A 8 HIS : no HD1:sc= -1.44! C(o=-1.4!,f=-3!) USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.235 (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= -0.0315 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 15 MET CE :methyl -175:sc= -0.538 (180deg=-0.561) USER MOD Single : A 20 ASN : amide:sc= -0.865 K(o=-0.87,f=-3.8!) USER MOD Single : A 24 ASN : amide:sc=-0.00281 X(o=-0.0028,f=-0.14) USER MOD Single : A 27 ASN : amide:sc= 0.754 K(o=0.75,f=-7.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 34 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.15) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -47:sc= 1.11 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.02) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0197 USER MOD Single : A 53 TYR OH : rot 180:sc= 0.0564 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) 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 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.211 K(o=0.21,f=-3.2!) USER MOD Single : A 67 HIS : no HE2:sc= 0.564 K(o=0.56,f=-6.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -177:sc= -0.715 (180deg=-0.817) USER MOD Single : A 91 SER OG : rot 21:sc= 1.05 USER MOD Single : A 92 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 93 TYR OH : rot 29:sc= 1.29 USER MOD Single : A 96 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.14) USER MOD Single : A 101 ASN : amide:sc= -2.13! C(o=-2.1!,f=-6.8!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 68:sc= 1.77 USER MOD Single : A 115 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.78) USER MOD Single : A 116 THR OG1 : rot -68:sc= 1.71 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0948 USER MOD Single : A 124 SER OG : rot -4:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.575 -39.821 -10.839 1.00 0.00 N ATOM 2 CA GLY A 1 19.085 -38.637 -10.134 1.00 0.00 C ATOM 3 C GLY A 1 18.661 -38.699 -8.679 1.00 0.00 C ATOM 4 O GLY A 1 17.992 -39.655 -8.291 1.00 0.00 O ATOM 0 H1 GLY A 1 19.370 -40.343 -11.260 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.074 -40.436 -10.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.920 -39.523 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.172 -38.596 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.700 -37.729 -10.599 1.00 0.00 H new ATOM 8 N SER A 2 19.033 -37.691 -7.892 1.00 0.00 N ATOM 9 CA SER A 2 18.682 -37.578 -6.480 1.00 0.00 C ATOM 10 C SER A 2 18.174 -36.155 -6.215 1.00 0.00 C ATOM 11 O SER A 2 18.173 -35.323 -7.128 1.00 0.00 O ATOM 12 CB SER A 2 19.898 -37.942 -5.610 1.00 0.00 C ATOM 13 OG SER A 2 20.497 -39.149 -6.051 1.00 0.00 O ATOM 0 H SER A 2 19.600 -36.913 -8.228 1.00 0.00 H new ATOM 0 HA SER A 2 17.886 -38.276 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.630 -37.135 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.588 -38.045 -4.570 1.00 0.00 H new ATOM 0 HG SER A 2 21.268 -39.358 -5.483 1.00 0.00 H new ATOM 19 N SER A 3 17.746 -35.888 -4.981 1.00 0.00 N ATOM 20 CA SER A 3 17.292 -34.599 -4.478 1.00 0.00 C ATOM 21 C SER A 3 17.600 -34.562 -2.971 1.00 0.00 C ATOM 22 O SER A 3 18.150 -35.530 -2.440 1.00 0.00 O ATOM 23 CB SER A 3 15.789 -34.466 -4.766 1.00 0.00 C ATOM 24 OG SER A 3 15.387 -33.113 -4.708 1.00 0.00 O ATOM 0 H SER A 3 17.706 -36.613 -4.265 1.00 0.00 H new ATOM 0 HA SER A 3 17.796 -33.762 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.565 -34.875 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.222 -35.050 -4.042 1.00 0.00 H new ATOM 0 HG SER A 3 14.427 -33.049 -4.896 1.00 0.00 H new ATOM 30 N GLY A 4 17.240 -33.479 -2.281 1.00 0.00 N ATOM 31 CA GLY A 4 17.365 -33.326 -0.837 1.00 0.00 C ATOM 32 C GLY A 4 16.265 -32.406 -0.305 1.00 0.00 C ATOM 33 O GLY A 4 15.471 -31.858 -1.077 1.00 0.00 O ATOM 0 H GLY A 4 16.839 -32.656 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.299 -34.301 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.344 -32.914 -0.591 1.00 0.00 H new ATOM 37 N SER A 5 16.180 -32.250 1.016 1.00 0.00 N ATOM 38 CA SER A 5 15.245 -31.368 1.713 1.00 0.00 C ATOM 39 C SER A 5 15.831 -31.026 3.092 1.00 0.00 C ATOM 40 O SER A 5 16.835 -31.614 3.501 1.00 0.00 O ATOM 41 CB SER A 5 13.879 -32.061 1.855 1.00 0.00 C ATOM 42 OG SER A 5 13.347 -32.431 0.596 1.00 0.00 O ATOM 0 H SER A 5 16.789 -32.758 1.658 1.00 0.00 H new ATOM 0 HA SER A 5 15.098 -30.449 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.984 -32.947 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.183 -31.393 2.362 1.00 0.00 H new ATOM 0 HG SER A 5 12.480 -32.870 0.723 1.00 0.00 H new ATOM 48 N SER A 6 15.222 -30.082 3.806 1.00 0.00 N ATOM 49 CA SER A 6 15.612 -29.613 5.131 1.00 0.00 C ATOM 50 C SER A 6 14.396 -28.903 5.758 1.00 0.00 C ATOM 51 O SER A 6 13.265 -29.094 5.304 1.00 0.00 O ATOM 52 CB SER A 6 16.837 -28.695 4.975 1.00 0.00 C ATOM 53 OG SER A 6 17.509 -28.476 6.204 1.00 0.00 O ATOM 0 H SER A 6 14.396 -29.597 3.454 1.00 0.00 H new ATOM 0 HA SER A 6 15.900 -30.426 5.797 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.530 -29.137 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.520 -27.737 4.562 1.00 0.00 H new ATOM 0 HG SER A 6 18.280 -27.890 6.055 1.00 0.00 H new ATOM 59 N GLY A 7 14.597 -28.109 6.809 1.00 0.00 N ATOM 60 CA GLY A 7 13.579 -27.301 7.469 1.00 0.00 C ATOM 61 C GLY A 7 14.050 -26.947 8.875 1.00 0.00 C ATOM 62 O GLY A 7 15.096 -27.437 9.311 1.00 0.00 O ATOM 0 H GLY A 7 15.516 -28.009 7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.392 -26.393 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.638 -27.848 7.515 1.00 0.00 H new ATOM 66 N HIS A 8 13.287 -26.121 9.591 1.00 0.00 N ATOM 67 CA HIS A 8 13.510 -25.835 11.004 1.00 0.00 C ATOM 68 C HIS A 8 12.159 -25.594 11.697 1.00 0.00 C ATOM 69 O HIS A 8 11.115 -25.963 11.155 1.00 0.00 O ATOM 70 CB HIS A 8 14.530 -24.694 11.185 1.00 0.00 C ATOM 71 CG HIS A 8 15.091 -24.660 12.586 1.00 0.00 C ATOM 72 ND1 HIS A 8 14.919 -23.654 13.513 1.00 0.00 N ATOM 73 CD2 HIS A 8 15.701 -25.710 13.218 1.00 0.00 C ATOM 74 CE1 HIS A 8 15.411 -24.096 14.683 1.00 0.00 C ATOM 75 NE2 HIS A 8 15.869 -25.353 14.557 1.00 0.00 N ATOM 0 H HIS A 8 12.486 -25.626 9.198 1.00 0.00 H new ATOM 0 HA HIS A 8 13.964 -26.696 11.495 1.00 0.00 H new ATOM 0 HB2 HIS A 8 15.344 -24.817 10.471 1.00 0.00 H new ATOM 0 HB3 HIS A 8 14.052 -23.740 10.962 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.998 -26.644 12.764 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.435 -23.521 15.597 1.00 0.00 H new ATOM 0 HE2 HIS A 8 16.263 -25.934 15.297 1.00 0.00 H new ATOM 83 N SER A 9 12.161 -25.060 12.921 1.00 0.00 N ATOM 84 CA SER A 9 11.021 -25.035 13.825 1.00 0.00 C ATOM 85 C SER A 9 10.520 -23.601 14.038 1.00 0.00 C ATOM 86 O SER A 9 11.126 -22.811 14.770 1.00 0.00 O ATOM 87 CB SER A 9 11.386 -25.771 15.125 1.00 0.00 C ATOM 88 OG SER A 9 12.644 -25.387 15.659 1.00 0.00 O ATOM 0 H SER A 9 12.990 -24.618 13.319 1.00 0.00 H new ATOM 0 HA SER A 9 10.178 -25.568 13.384 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.612 -25.583 15.869 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.393 -26.844 14.936 1.00 0.00 H new ATOM 0 HG SER A 9 12.816 -25.888 16.483 1.00 0.00 H new ATOM 94 N GLY A 10 9.416 -23.241 13.388 1.00 0.00 N ATOM 95 CA GLY A 10 8.715 -21.994 13.620 1.00 0.00 C ATOM 96 C GLY A 10 8.289 -21.407 12.296 1.00 0.00 C ATOM 97 O GLY A 10 7.344 -21.910 11.697 1.00 0.00 O ATOM 0 H GLY A 10 8.980 -23.823 12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.844 -22.166 14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.361 -21.294 14.150 1.00 0.00 H new ATOM 101 N GLU A 11 8.999 -20.365 11.863 1.00 0.00 N ATOM 102 CA GLU A 11 8.826 -19.617 10.625 1.00 0.00 C ATOM 103 C GLU A 11 7.362 -19.551 10.194 1.00 0.00 C ATOM 104 O GLU A 11 6.956 -20.023 9.135 1.00 0.00 O ATOM 105 CB GLU A 11 9.717 -20.177 9.525 1.00 0.00 C ATOM 106 CG GLU A 11 11.222 -19.948 9.730 1.00 0.00 C ATOM 107 CD GLU A 11 11.797 -20.644 10.966 1.00 0.00 C ATOM 108 OE1 GLU A 11 11.795 -20.042 12.065 1.00 0.00 O ATOM 109 OE2 GLU A 11 12.340 -21.763 10.857 1.00 0.00 O ATOM 0 H GLU A 11 9.772 -19.995 12.417 1.00 0.00 H new ATOM 0 HA GLU A 11 9.138 -18.590 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.536 -21.249 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.422 -19.729 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.756 -20.299 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.408 -18.877 9.810 1.00 0.00 H new ATOM 116 N ASP A 12 6.577 -18.958 11.079 1.00 0.00 N ATOM 117 CA ASP A 12 5.113 -18.948 11.034 1.00 0.00 C ATOM 118 C ASP A 12 4.637 -18.383 9.694 1.00 0.00 C ATOM 119 O ASP A 12 3.850 -19.032 9.006 1.00 0.00 O ATOM 120 CB ASP A 12 4.528 -18.104 12.175 1.00 0.00 C ATOM 121 CG ASP A 12 4.480 -18.788 13.533 1.00 0.00 C ATOM 122 OD1 ASP A 12 3.803 -19.826 13.702 1.00 0.00 O ATOM 123 OD2 ASP A 12 5.054 -18.205 14.483 1.00 0.00 O ATOM 0 H ASP A 12 6.950 -18.450 11.881 1.00 0.00 H new ATOM 0 HA ASP A 12 4.767 -19.975 11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.116 -17.191 12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.516 -17.805 11.901 1.00 0.00 H new ATOM 128 N LEU A 13 5.170 -17.209 9.322 1.00 0.00 N ATOM 129 CA LEU A 13 4.885 -16.409 8.123 1.00 0.00 C ATOM 130 C LEU A 13 3.383 -16.176 7.896 1.00 0.00 C ATOM 131 O LEU A 13 2.569 -16.582 8.724 1.00 0.00 O ATOM 132 CB LEU A 13 5.609 -17.051 6.926 1.00 0.00 C ATOM 133 CG LEU A 13 7.141 -16.950 7.070 1.00 0.00 C ATOM 134 CD1 LEU A 13 7.825 -17.996 6.199 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.641 -15.545 6.713 1.00 0.00 C ATOM 0 H LEU A 13 5.874 -16.756 9.905 1.00 0.00 H new ATOM 0 HA LEU A 13 5.275 -15.400 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.319 -18.098 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.296 -16.560 6.005 1.00 0.00 H new ATOM 0 HG LEU A 13 7.395 -17.141 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.906 -17.912 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.504 -18.991 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.555 -17.834 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.725 -15.505 6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.373 -15.315 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.181 -14.815 7.379 1.00 0.00 H new ATOM 147 N PRO A 14 2.959 -15.362 6.913 1.00 0.00 N ATOM 148 CA PRO A 14 1.566 -15.357 6.486 1.00 0.00 C ATOM 149 C PRO A 14 1.370 -16.339 5.322 1.00 0.00 C ATOM 150 O PRO A 14 2.327 -16.951 4.839 1.00 0.00 O ATOM 151 CB PRO A 14 1.259 -13.914 6.093 1.00 0.00 C ATOM 152 CG PRO A 14 2.605 -13.449 5.566 1.00 0.00 C ATOM 153 CD PRO A 14 3.666 -14.228 6.330 1.00 0.00 C ATOM 0 HA PRO A 14 0.884 -15.685 7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.479 -13.853 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.924 -13.320 6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.686 -13.633 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.730 -12.376 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.465 -14.560 5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.128 -13.612 7.102 1.00 0.00 H new ATOM 161 N MET A 15 0.126 -16.486 4.857 1.00 0.00 N ATOM 162 CA MET A 15 -0.246 -17.510 3.887 1.00 0.00 C ATOM 163 C MET A 15 -1.113 -17.026 2.736 1.00 0.00 C ATOM 164 O MET A 15 -1.047 -17.648 1.673 1.00 0.00 O ATOM 165 CB MET A 15 -0.993 -18.637 4.617 1.00 0.00 C ATOM 166 CG MET A 15 -0.145 -19.358 5.667 1.00 0.00 C ATOM 167 SD MET A 15 -0.851 -20.931 6.227 1.00 0.00 S ATOM 168 CE MET A 15 -2.469 -20.408 6.838 1.00 0.00 C ATOM 0 H MET A 15 -0.652 -15.893 5.147 1.00 0.00 H new ATOM 0 HA MET A 15 0.690 -17.845 3.440 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.877 -18.221 5.100 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.342 -19.364 3.884 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.847 -19.543 5.255 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.015 -18.702 6.528 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.978 -21.257 7.294 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.340 -19.621 7.581 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.066 -20.030 6.008 1.00 0.00 H new ATOM 178 N VAL A 16 -1.917 -15.974 2.898 1.00 0.00 N ATOM 179 CA VAL A 16 -2.764 -15.462 1.823 1.00 0.00 C ATOM 180 C VAL A 16 -2.740 -13.928 1.818 1.00 0.00 C ATOM 181 O VAL A 16 -2.037 -13.285 2.605 1.00 0.00 O ATOM 182 CB VAL A 16 -4.186 -16.092 1.841 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.170 -17.599 1.533 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.001 -15.883 3.113 1.00 0.00 C ATOM 0 H VAL A 16 -1.998 -15.456 3.773 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.353 -15.777 0.864 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.684 -15.534 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.188 -17.986 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.744 -17.764 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.566 -18.116 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.972 -16.367 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.470 -16.317 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.144 -14.816 3.282 1.00 0.00 H new ATOM 194 N ALA A 17 -3.454 -13.355 0.859 1.00 0.00 N ATOM 195 CA ALA A 17 -3.645 -11.946 0.602 1.00 0.00 C ATOM 196 C ALA A 17 -5.090 -11.598 0.975 1.00 0.00 C ATOM 197 O ALA A 17 -5.928 -12.504 1.061 1.00 0.00 O ATOM 198 CB ALA A 17 -3.429 -11.724 -0.897 1.00 0.00 C ATOM 0 H ALA A 17 -3.959 -13.925 0.181 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.956 -11.326 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.565 -10.668 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.418 -12.029 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.150 -12.317 -1.460 1.00 0.00 H new ATOM 204 N PRO A 18 -5.417 -10.310 1.163 1.00 0.00 N ATOM 205 CA PRO A 18 -6.806 -9.903 1.275 1.00 0.00 C ATOM 206 C PRO A 18 -7.551 -10.246 -0.021 1.00 0.00 C ATOM 207 O PRO A 18 -6.941 -10.315 -1.093 1.00 0.00 O ATOM 208 CB PRO A 18 -6.786 -8.419 1.617 1.00 0.00 C ATOM 209 CG PRO A 18 -5.360 -7.937 1.382 1.00 0.00 C ATOM 210 CD PRO A 18 -4.512 -9.175 1.130 1.00 0.00 C ATOM 0 HA PRO A 18 -7.350 -10.431 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.489 -7.868 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.084 -8.256 2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.317 -7.259 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.991 -7.386 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.007 -9.110 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.737 -9.275 1.890 1.00 0.00 H new ATOM 218 N GLY A 19 -8.854 -10.500 0.113 1.00 0.00 N ATOM 219 CA GLY A 19 -9.685 -11.167 -0.881 1.00 0.00 C ATOM 220 C GLY A 19 -9.786 -10.388 -2.165 1.00 0.00 C ATOM 221 O GLY A 19 -8.960 -10.530 -3.071 1.00 0.00 O ATOM 0 H GLY A 19 -9.375 -10.236 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.273 -12.154 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.684 -11.318 -0.472 1.00 0.00 H new ATOM 225 N ASN A 20 -10.839 -9.597 -2.262 1.00 0.00 N ATOM 226 CA ASN A 20 -10.969 -8.597 -3.294 1.00 0.00 C ATOM 227 C ASN A 20 -10.553 -7.244 -2.718 1.00 0.00 C ATOM 228 O ASN A 20 -10.480 -7.066 -1.496 1.00 0.00 O ATOM 229 CB ASN A 20 -12.361 -8.679 -3.956 1.00 0.00 C ATOM 230 CG ASN A 20 -13.386 -7.592 -3.670 1.00 0.00 C ATOM 231 OD1 ASN A 20 -14.149 -7.229 -4.554 1.00 0.00 O ATOM 232 ND2 ASN A 20 -13.477 -7.089 -2.466 1.00 0.00 N ATOM 0 H ASN A 20 -11.631 -9.634 -1.620 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.290 -8.772 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.209 -8.711 -5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.805 -9.632 -3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.189 -6.388 -2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.836 -7.398 -1.735 1.00 0.00 H new ATOM 239 N VAL A 21 -10.257 -6.293 -3.599 1.00 0.00 N ATOM 240 CA VAL A 21 -9.839 -4.950 -3.270 1.00 0.00 C ATOM 241 C VAL A 21 -10.753 -4.034 -4.080 1.00 0.00 C ATOM 242 O VAL A 21 -11.202 -4.395 -5.175 1.00 0.00 O ATOM 243 CB VAL A 21 -8.341 -4.812 -3.609 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.822 -3.388 -3.418 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.483 -5.744 -2.739 1.00 0.00 C ATOM 0 H VAL A 21 -10.307 -6.453 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.929 -4.691 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.256 -5.085 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.762 -3.350 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.375 -2.709 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.958 -3.088 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.432 -5.623 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.625 -5.493 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.783 -6.778 -2.909 1.00 0.00 H new ATOM 255 N ARG A 22 -11.035 -2.858 -3.536 1.00 0.00 N ATOM 256 CA ARG A 22 -11.927 -1.840 -4.072 1.00 0.00 C ATOM 257 C ARG A 22 -11.289 -0.499 -3.743 1.00 0.00 C ATOM 258 O ARG A 22 -10.513 -0.424 -2.796 1.00 0.00 O ATOM 259 CB ARG A 22 -13.291 -1.968 -3.373 1.00 0.00 C ATOM 260 CG ARG A 22 -13.986 -3.328 -3.563 1.00 0.00 C ATOM 261 CD ARG A 22 -14.523 -3.451 -4.987 1.00 0.00 C ATOM 262 NE ARG A 22 -15.260 -4.689 -5.252 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.450 -5.061 -4.779 1.00 0.00 C ATOM 264 NH1 ARG A 22 -17.072 -4.369 -3.826 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.017 -6.153 -5.272 1.00 0.00 N ATOM 0 H ARG A 22 -10.619 -2.571 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.077 -1.943 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.155 -1.791 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.950 -1.183 -3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.282 -4.136 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.803 -3.430 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.177 -2.603 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.688 -3.384 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.804 -5.352 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.638 -3.531 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.982 -4.677 -3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.543 -6.690 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.927 -6.456 -4.925 1.00 0.00 H new ATOM 279 N VAL A 23 -11.526 0.553 -4.512 1.00 0.00 N ATOM 280 CA VAL A 23 -11.079 1.891 -4.138 1.00 0.00 C ATOM 281 C VAL A 23 -12.062 2.941 -4.646 1.00 0.00 C ATOM 282 O VAL A 23 -12.566 2.867 -5.774 1.00 0.00 O ATOM 283 CB VAL A 23 -9.588 2.083 -4.508 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.185 1.286 -5.744 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.075 3.528 -4.565 1.00 0.00 C ATOM 0 H VAL A 23 -12.026 0.508 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.095 2.027 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.071 1.664 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.130 1.457 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.351 0.224 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.785 1.607 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.019 3.529 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.640 4.086 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.201 3.998 -3.590 1.00 0.00 H new ATOM 295 N ASN A 24 -12.321 3.935 -3.809 1.00 0.00 N ATOM 296 CA ASN A 24 -13.161 5.103 -4.053 1.00 0.00 C ATOM 297 C ASN A 24 -12.273 6.344 -3.984 1.00 0.00 C ATOM 298 O ASN A 24 -11.338 6.367 -3.189 1.00 0.00 O ATOM 299 CB ASN A 24 -14.231 5.163 -2.958 1.00 0.00 C ATOM 300 CG ASN A 24 -15.008 6.468 -3.003 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.436 6.879 -4.075 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.161 7.142 -1.880 1.00 0.00 N ATOM 0 H ASN A 24 -11.920 3.949 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.644 5.049 -5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.919 4.326 -3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.759 5.054 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.649 8.037 -1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.791 6.768 -1.006 1.00 0.00 H new ATOM 309 N VAL A 25 -12.538 7.377 -4.779 1.00 0.00 N ATOM 310 CA VAL A 25 -11.841 8.650 -4.672 1.00 0.00 C ATOM 311 C VAL A 25 -12.765 9.609 -3.937 1.00 0.00 C ATOM 312 O VAL A 25 -13.796 10.023 -4.470 1.00 0.00 O ATOM 313 CB VAL A 25 -11.382 9.167 -6.041 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.550 10.443 -5.857 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.518 8.110 -6.742 1.00 0.00 C ATOM 0 H VAL A 25 -13.243 7.352 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.917 8.541 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.262 9.379 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.225 10.809 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.156 11.205 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.677 10.223 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.198 8.488 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.642 7.892 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.099 7.199 -6.881 1.00 0.00 H new ATOM 325 N VAL A 26 -12.386 9.947 -2.706 1.00 0.00 N ATOM 326 CA VAL A 26 -13.139 10.842 -1.852 1.00 0.00 C ATOM 327 C VAL A 26 -13.233 12.204 -2.525 1.00 0.00 C ATOM 328 O VAL A 26 -14.341 12.664 -2.798 1.00 0.00 O ATOM 329 CB VAL A 26 -12.505 10.892 -0.446 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.182 11.941 0.450 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.566 9.496 0.195 1.00 0.00 C ATOM 0 H VAL A 26 -11.531 9.597 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.157 10.480 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.463 11.194 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.706 11.944 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.082 12.927 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.239 11.698 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.118 9.532 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.605 9.178 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.018 8.787 -0.425 1.00 0.00 H new ATOM 341 N ASN A 27 -12.093 12.843 -2.801 1.00 0.00 N ATOM 342 CA ASN A 27 -12.075 14.136 -3.481 1.00 0.00 C ATOM 343 C ASN A 27 -11.269 14.025 -4.772 1.00 0.00 C ATOM 344 O ASN A 27 -11.762 13.414 -5.717 1.00 0.00 O ATOM 345 CB ASN A 27 -11.751 15.299 -2.521 1.00 0.00 C ATOM 346 CG ASN A 27 -10.481 15.194 -1.682 1.00 0.00 C ATOM 347 OD1 ASN A 27 -9.371 15.100 -2.201 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.604 15.249 -0.366 1.00 0.00 N ATOM 0 H ASN A 27 -11.169 12.483 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.074 14.416 -3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.688 16.213 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.594 15.416 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.774 15.213 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.529 15.327 0.057 1.00 0.00 H new ATOM 355 N SER A 28 -10.055 14.554 -4.829 1.00 0.00 N ATOM 356 CA SER A 28 -9.108 14.441 -5.928 1.00 0.00 C ATOM 357 C SER A 28 -7.809 13.825 -5.425 1.00 0.00 C ATOM 358 O SER A 28 -7.314 12.857 -5.999 1.00 0.00 O ATOM 359 CB SER A 28 -8.825 15.822 -6.536 1.00 0.00 C ATOM 360 OG SER A 28 -9.124 16.896 -5.663 1.00 0.00 O ATOM 0 H SER A 28 -9.682 15.109 -4.059 1.00 0.00 H new ATOM 0 HA SER A 28 -9.539 13.801 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.774 15.877 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.408 15.934 -7.450 1.00 0.00 H new ATOM 0 HG SER A 28 -8.921 17.745 -6.108 1.00 0.00 H new ATOM 366 N THR A 29 -7.261 14.399 -4.357 1.00 0.00 N ATOM 367 CA THR A 29 -5.958 14.065 -3.801 1.00 0.00 C ATOM 368 C THR A 29 -6.087 13.166 -2.569 1.00 0.00 C ATOM 369 O THR A 29 -5.083 12.832 -1.932 1.00 0.00 O ATOM 370 CB THR A 29 -5.202 15.383 -3.554 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.028 16.353 -2.924 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.782 15.959 -4.906 1.00 0.00 C ATOM 0 H THR A 29 -7.733 15.138 -3.837 1.00 0.00 H new ATOM 0 HA THR A 29 -5.373 13.468 -4.500 1.00 0.00 H new ATOM 0 HB THR A 29 -4.349 15.166 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.515 17.176 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.244 16.894 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.134 15.248 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.668 16.146 -5.513 1.00 0.00 H new ATOM 380 N LEU A 30 -7.316 12.755 -2.244 1.00 0.00 N ATOM 381 CA LEU A 30 -7.643 11.753 -1.260 1.00 0.00 C ATOM 382 C LEU A 30 -8.491 10.673 -1.915 1.00 0.00 C ATOM 383 O LEU A 30 -9.588 10.965 -2.406 1.00 0.00 O ATOM 384 CB LEU A 30 -8.420 12.408 -0.116 1.00 0.00 C ATOM 385 CG LEU A 30 -8.668 11.457 1.063 1.00 0.00 C ATOM 386 CD1 LEU A 30 -7.362 10.887 1.627 1.00 0.00 C ATOM 387 CD2 LEU A 30 -9.393 12.258 2.143 1.00 0.00 C ATOM 0 H LEU A 30 -8.146 13.142 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.732 11.304 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.869 13.280 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.377 12.767 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.261 10.607 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.586 10.220 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.840 10.332 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.730 11.703 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.589 11.616 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.771 13.098 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.337 12.632 1.747 1.00 0.00 H new ATOM 399 N ALA A 31 -8.019 9.432 -1.842 1.00 0.00 N ATOM 400 CA ALA A 31 -8.797 8.239 -2.130 1.00 0.00 C ATOM 401 C ALA A 31 -8.836 7.343 -0.893 1.00 0.00 C ATOM 402 O ALA A 31 -8.022 7.495 0.018 1.00 0.00 O ATOM 403 CB ALA A 31 -8.214 7.530 -3.359 1.00 0.00 C ATOM 0 H ALA A 31 -7.057 9.227 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.827 8.503 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.798 6.635 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.249 8.201 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.180 7.249 -3.160 1.00 0.00 H new ATOM 409 N GLU A 32 -9.768 6.400 -0.874 1.00 0.00 N ATOM 410 CA GLU A 32 -10.064 5.438 0.152 1.00 0.00 C ATOM 411 C GLU A 32 -10.014 4.071 -0.526 1.00 0.00 C ATOM 412 O GLU A 32 -10.762 3.812 -1.467 1.00 0.00 O ATOM 413 CB GLU A 32 -11.448 5.778 0.724 1.00 0.00 C ATOM 414 CG GLU A 32 -11.637 5.079 2.062 1.00 0.00 C ATOM 415 CD GLU A 32 -12.890 5.492 2.852 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.256 6.688 2.867 1.00 0.00 O ATOM 417 OE2 GLU A 32 -13.517 4.618 3.502 1.00 0.00 O ATOM 0 H GLU A 32 -10.397 6.288 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.361 5.443 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.545 6.856 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.226 5.467 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.676 4.004 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.760 5.270 2.680 1.00 0.00 H new ATOM 424 N VAL A 33 -9.075 3.220 -0.132 1.00 0.00 N ATOM 425 CA VAL A 33 -8.996 1.847 -0.602 1.00 0.00 C ATOM 426 C VAL A 33 -9.769 1.009 0.408 1.00 0.00 C ATOM 427 O VAL A 33 -9.714 1.276 1.611 1.00 0.00 O ATOM 428 CB VAL A 33 -7.529 1.391 -0.695 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.441 -0.023 -1.277 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.696 2.306 -1.602 1.00 0.00 C ATOM 0 H VAL A 33 -8.340 3.469 0.530 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.418 1.741 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.135 1.425 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.396 -0.328 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.986 -0.715 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.878 -0.033 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.668 1.945 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.117 2.302 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.711 3.322 -1.206 1.00 0.00 H new ATOM 440 N HIS A 34 -10.428 -0.038 -0.073 1.00 0.00 N ATOM 441 CA HIS A 34 -11.129 -1.018 0.745 1.00 0.00 C ATOM 442 C HIS A 34 -10.596 -2.394 0.351 1.00 0.00 C ATOM 443 O HIS A 34 -10.255 -2.625 -0.812 1.00 0.00 O ATOM 444 CB HIS A 34 -12.660 -0.917 0.569 1.00 0.00 C ATOM 445 CG HIS A 34 -13.187 0.400 0.035 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.990 0.562 -1.072 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.939 1.647 0.543 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.201 1.876 -1.233 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.567 2.579 -0.285 1.00 0.00 N ATOM 0 H HIS A 34 -10.491 -0.234 -1.072 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.946 -0.834 1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.981 -1.712 -0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.129 -1.108 1.534 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.360 1.870 1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.801 2.309 -2.020 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.547 3.594 -0.188 1.00 0.00 H new ATOM 457 N TRP A 35 -10.514 -3.323 1.296 1.00 0.00 N ATOM 458 CA TRP A 35 -10.127 -4.698 1.021 1.00 0.00 C ATOM 459 C TRP A 35 -10.838 -5.630 1.990 1.00 0.00 C ATOM 460 O TRP A 35 -11.234 -5.228 3.087 1.00 0.00 O ATOM 461 CB TRP A 35 -8.603 -4.838 1.120 1.00 0.00 C ATOM 462 CG TRP A 35 -7.997 -4.482 2.445 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.933 -5.290 3.527 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.428 -3.208 2.871 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.359 -4.609 4.579 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.987 -3.336 4.219 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.271 -1.945 2.267 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.379 -2.285 4.917 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.678 -0.874 2.960 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.200 -1.051 4.271 1.00 0.00 C ATOM 0 H TRP A 35 -10.716 -3.141 2.279 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.423 -4.972 0.008 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.336 -5.869 0.885 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.149 -4.209 0.354 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.279 -6.313 3.562 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.227 -5.002 5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.612 -1.796 1.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.053 -2.422 5.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.589 0.091 2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.697 -0.241 4.779 1.00 0.00 H new ATOM 481 N ASP A 36 -11.005 -6.883 1.592 1.00 0.00 N ATOM 482 CA ASP A 36 -11.605 -7.890 2.459 1.00 0.00 C ATOM 483 C ASP A 36 -10.587 -8.281 3.535 1.00 0.00 C ATOM 484 O ASP A 36 -9.404 -8.416 3.212 1.00 0.00 O ATOM 485 CB ASP A 36 -12.018 -9.108 1.632 1.00 0.00 C ATOM 486 CG ASP A 36 -13.139 -8.781 0.648 1.00 0.00 C ATOM 487 OD1 ASP A 36 -14.150 -8.168 1.056 1.00 0.00 O ATOM 488 OD2 ASP A 36 -13.034 -9.154 -0.540 1.00 0.00 O ATOM 0 H ASP A 36 -10.733 -7.228 0.672 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.498 -7.490 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.154 -9.484 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.344 -9.906 2.300 1.00 0.00 H new ATOM 493 N PRO A 37 -11.000 -8.484 4.798 1.00 0.00 N ATOM 494 CA PRO A 37 -10.107 -8.933 5.861 1.00 0.00 C ATOM 495 C PRO A 37 -9.552 -10.310 5.508 1.00 0.00 C ATOM 496 O PRO A 37 -10.213 -11.069 4.798 1.00 0.00 O ATOM 497 CB PRO A 37 -10.965 -8.996 7.132 1.00 0.00 C ATOM 498 CG PRO A 37 -12.398 -9.127 6.613 1.00 0.00 C ATOM 499 CD PRO A 37 -12.376 -8.441 5.255 1.00 0.00 C ATOM 0 HA PRO A 37 -9.258 -8.264 6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.689 -9.845 7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.842 -8.100 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.694 -10.172 6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.109 -8.650 7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.035 -8.950 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.727 -7.412 5.334 1.00 0.00 H new ATOM 507 N VAL A 38 -8.390 -10.680 6.046 1.00 0.00 N ATOM 508 CA VAL A 38 -7.942 -12.069 5.991 1.00 0.00 C ATOM 509 C VAL A 38 -8.179 -12.737 7.352 1.00 0.00 C ATOM 510 O VAL A 38 -8.270 -12.040 8.370 1.00 0.00 O ATOM 511 CB VAL A 38 -6.480 -12.154 5.537 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.311 -11.771 4.079 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.553 -11.265 6.348 1.00 0.00 C ATOM 0 H VAL A 38 -7.749 -10.044 6.520 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.524 -12.613 5.248 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.209 -13.199 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.259 -11.846 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.899 -12.444 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.653 -10.747 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.533 -11.370 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.869 -10.226 6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.591 -11.560 7.397 1.00 0.00 H new ATOM 523 N PRO A 39 -8.275 -14.073 7.404 1.00 0.00 N ATOM 524 CA PRO A 39 -8.523 -14.793 8.635 1.00 0.00 C ATOM 525 C PRO A 39 -7.241 -14.838 9.465 1.00 0.00 C ATOM 526 O PRO A 39 -6.134 -14.844 8.919 1.00 0.00 O ATOM 527 CB PRO A 39 -8.986 -16.183 8.198 1.00 0.00 C ATOM 528 CG PRO A 39 -8.489 -16.373 6.763 1.00 0.00 C ATOM 529 CD PRO A 39 -8.066 -14.984 6.294 1.00 0.00 C ATOM 0 HA PRO A 39 -9.277 -14.323 9.267 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.579 -16.952 8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.072 -16.264 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.653 -17.072 6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.274 -16.781 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.020 -14.984 5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.652 -14.676 5.428 1.00 0.00 H new ATOM 537 N LEU A 40 -7.378 -14.949 10.786 1.00 0.00 N ATOM 538 CA LEU A 40 -6.257 -15.072 11.719 1.00 0.00 C ATOM 539 C LEU A 40 -5.446 -16.342 11.445 1.00 0.00 C ATOM 540 O LEU A 40 -4.230 -16.346 11.641 1.00 0.00 O ATOM 541 CB LEU A 40 -6.750 -15.001 13.165 1.00 0.00 C ATOM 542 CG LEU A 40 -7.273 -13.596 13.533 1.00 0.00 C ATOM 543 CD1 LEU A 40 -8.784 -13.437 13.297 1.00 0.00 C ATOM 544 CD2 LEU A 40 -6.972 -13.321 15.001 1.00 0.00 C ATOM 0 H LEU A 40 -8.288 -14.956 11.247 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.583 -14.229 11.563 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.544 -15.733 13.313 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.937 -15.272 13.838 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.765 -12.884 12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.091 -12.429 13.574 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.008 -13.608 12.244 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.325 -14.161 13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.339 -12.330 15.268 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.466 -14.070 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.896 -13.366 15.166 1.00 0.00 H new ATOM 556 N LYS A 41 -6.089 -17.377 10.886 1.00 0.00 N ATOM 557 CA LYS A 41 -5.431 -18.517 10.251 1.00 0.00 C ATOM 558 C LYS A 41 -4.301 -18.056 9.347 1.00 0.00 C ATOM 559 O LYS A 41 -3.167 -18.480 9.548 1.00 0.00 O ATOM 560 CB LYS A 41 -6.418 -19.349 9.411 1.00 0.00 C ATOM 561 CG LYS A 41 -6.909 -20.608 10.115 1.00 0.00 C ATOM 562 CD LYS A 41 -7.907 -20.343 11.240 1.00 0.00 C ATOM 563 CE LYS A 41 -8.306 -21.691 11.835 1.00 0.00 C ATOM 564 NZ LYS A 41 -9.204 -21.551 12.994 1.00 0.00 N ATOM 0 H LYS A 41 -7.107 -17.442 10.865 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.035 -19.136 11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.276 -18.728 9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.937 -19.631 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.373 -21.265 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.051 -21.142 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.462 -19.705 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.783 -19.819 10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.797 -22.292 11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.409 -22.231 12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.446 -22.493 13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.728 -21.001 13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.073 -21.060 12.702 1.00 0.00 H new ATOM 578 N SER A 42 -4.600 -17.226 8.347 1.00 0.00 N ATOM 579 CA SER A 42 -3.640 -16.873 7.311 1.00 0.00 C ATOM 580 C SER A 42 -2.417 -16.157 7.872 1.00 0.00 C ATOM 581 O SER A 42 -1.363 -16.195 7.250 1.00 0.00 O ATOM 582 CB SER A 42 -4.310 -16.007 6.250 1.00 0.00 C ATOM 583 OG SER A 42 -4.623 -14.724 6.745 1.00 0.00 O ATOM 0 H SER A 42 -5.512 -16.783 8.236 1.00 0.00 H new ATOM 0 HA SER A 42 -3.293 -17.804 6.862 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.651 -15.913 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.221 -16.495 5.903 1.00 0.00 H new ATOM 0 HG SER A 42 -5.057 -14.808 7.620 1.00 0.00 H new ATOM 589 N ILE A 43 -2.570 -15.479 9.011 1.00 0.00 N ATOM 590 CA ILE A 43 -1.552 -14.654 9.636 1.00 0.00 C ATOM 591 C ILE A 43 -0.674 -15.515 10.568 1.00 0.00 C ATOM 592 O ILE A 43 0.419 -15.086 10.944 1.00 0.00 O ATOM 593 CB ILE A 43 -2.249 -13.492 10.376 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.245 -12.709 9.478 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.202 -12.481 10.871 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.278 -11.915 10.275 1.00 0.00 C ATOM 0 H ILE A 43 -3.443 -15.495 9.538 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.884 -14.226 8.889 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.798 -13.950 11.199 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.687 -12.026 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.762 -13.410 8.823 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.702 -11.665 11.392 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.511 -12.977 11.553 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.649 -12.084 10.020 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.943 -11.391 9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.860 -12.596 10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.769 -11.190 10.910 1.00 0.00 H new ATOM 608 N ARG A 44 -1.133 -16.713 10.960 1.00 0.00 N ATOM 609 CA ARG A 44 -0.466 -17.678 11.846 1.00 0.00 C ATOM 610 C ARG A 44 -0.053 -17.130 13.226 1.00 0.00 C ATOM 611 O ARG A 44 0.506 -17.883 14.026 1.00 0.00 O ATOM 612 CB ARG A 44 0.701 -18.360 11.096 1.00 0.00 C ATOM 613 CG ARG A 44 0.233 -19.145 9.846 1.00 0.00 C ATOM 614 CD ARG A 44 0.839 -20.549 9.714 1.00 0.00 C ATOM 615 NE ARG A 44 0.568 -21.359 10.913 1.00 0.00 N ATOM 616 CZ ARG A 44 1.375 -22.303 11.402 1.00 0.00 C ATOM 617 NH1 ARG A 44 2.265 -22.926 10.642 1.00 0.00 N ATOM 618 NH2 ARG A 44 1.292 -22.607 12.689 1.00 0.00 N ATOM 0 H ARG A 44 -2.041 -17.056 10.645 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.215 -18.429 12.099 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.425 -17.603 10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.215 -19.040 11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.853 -19.233 9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.484 -18.569 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.427 -21.045 8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.915 -20.471 9.560 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.306 -21.185 11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.347 -22.688 9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.867 -23.643 11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.621 -22.123 13.285 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.899 -23.325 13.084 1.00 0.00 H new ATOM 632 N GLY A 45 -0.350 -15.870 13.540 1.00 0.00 N ATOM 633 CA GLY A 45 0.081 -15.116 14.708 1.00 0.00 C ATOM 634 C GLY A 45 -0.402 -13.678 14.523 1.00 0.00 C ATOM 635 O GLY A 45 -1.401 -13.478 13.830 1.00 0.00 O ATOM 0 H GLY A 45 -0.947 -15.308 12.933 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.335 -15.547 15.619 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.166 -15.147 14.807 1.00 0.00 H new ATOM 639 N HIS A 46 0.240 -12.689 15.147 1.00 0.00 N ATOM 640 CA HIS A 46 -0.223 -11.301 15.126 1.00 0.00 C ATOM 641 C HIS A 46 0.031 -10.634 13.777 1.00 0.00 C ATOM 642 O HIS A 46 1.144 -10.672 13.250 1.00 0.00 O ATOM 643 CB HIS A 46 0.482 -10.479 16.212 1.00 0.00 C ATOM 644 CG HIS A 46 0.170 -10.925 17.615 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.951 -11.741 18.400 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.941 -10.583 18.337 1.00 0.00 C ATOM 647 CE1 HIS A 46 0.327 -11.886 19.578 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.837 -11.208 19.588 1.00 0.00 N ATOM 0 H HIS A 46 1.097 -12.828 15.682 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.297 -11.329 15.310 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.559 -10.536 16.055 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.198 -9.432 16.103 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.749 -9.948 18.005 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.706 -12.467 20.406 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.509 -11.159 20.354 1.00 0.00 H new ATOM 656 N LEU A 47 -0.995 -9.958 13.261 1.00 0.00 N ATOM 657 CA LEU A 47 -0.895 -9.018 12.158 1.00 0.00 C ATOM 658 C LEU A 47 -0.134 -7.798 12.670 1.00 0.00 C ATOM 659 O LEU A 47 -0.514 -7.212 13.685 1.00 0.00 O ATOM 660 CB LEU A 47 -2.311 -8.688 11.658 1.00 0.00 C ATOM 661 CG LEU A 47 -2.321 -7.925 10.321 1.00 0.00 C ATOM 662 CD1 LEU A 47 -3.574 -8.226 9.498 1.00 0.00 C ATOM 663 CD2 LEU A 47 -2.297 -6.431 10.553 1.00 0.00 C ATOM 0 H LEU A 47 -1.947 -10.057 13.614 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.351 -9.424 11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.874 -9.614 11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.826 -8.093 12.412 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.433 -8.254 9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.539 -7.666 8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.619 -9.293 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.459 -7.933 10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.305 -5.914 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.174 -6.138 11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.395 -6.163 11.103 1.00 0.00 H new ATOM 675 N GLN A 48 0.945 -7.437 11.977 1.00 0.00 N ATOM 676 CA GLN A 48 1.676 -6.194 12.177 1.00 0.00 C ATOM 677 C GLN A 48 0.927 -5.091 11.437 1.00 0.00 C ATOM 678 O GLN A 48 0.412 -4.153 12.049 1.00 0.00 O ATOM 679 CB GLN A 48 3.115 -6.342 11.649 1.00 0.00 C ATOM 680 CG GLN A 48 4.009 -7.295 12.453 1.00 0.00 C ATOM 681 CD GLN A 48 4.577 -6.675 13.721 1.00 0.00 C ATOM 682 OE1 GLN A 48 5.784 -6.509 13.867 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.745 -6.393 14.701 1.00 0.00 N ATOM 0 H GLN A 48 1.343 -8.020 11.241 1.00 0.00 H new ATOM 0 HA GLN A 48 1.741 -5.945 13.236 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.073 -6.692 10.618 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.582 -5.357 11.633 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.434 -8.182 12.719 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.832 -7.627 11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.742 -6.533 14.575 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.103 -6.035 15.587 1.00 0.00 H new ATOM 692 N GLY A 49 0.781 -5.230 10.116 1.00 0.00 N ATOM 693 CA GLY A 49 0.057 -4.248 9.342 1.00 0.00 C ATOM 694 C GLY A 49 -0.299 -4.716 7.947 1.00 0.00 C ATOM 695 O GLY A 49 -0.005 -5.842 7.542 1.00 0.00 O ATOM 0 H GLY A 49 1.155 -6.009 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.858 -3.983 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.657 -3.341 9.269 1.00 0.00 H new ATOM 699 N TYR A 50 -0.941 -3.800 7.234 1.00 0.00 N ATOM 700 CA TYR A 50 -1.258 -3.876 5.821 1.00 0.00 C ATOM 701 C TYR A 50 -0.335 -2.882 5.112 1.00 0.00 C ATOM 702 O TYR A 50 -0.367 -1.683 5.405 1.00 0.00 O ATOM 703 CB TYR A 50 -2.750 -3.576 5.612 1.00 0.00 C ATOM 704 CG TYR A 50 -3.662 -4.758 5.870 1.00 0.00 C ATOM 705 CD1 TYR A 50 -3.783 -5.778 4.906 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.424 -4.820 7.051 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.713 -6.817 5.090 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.342 -5.867 7.239 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.519 -6.848 6.244 1.00 0.00 C ATOM 710 OH TYR A 50 -6.497 -7.785 6.376 1.00 0.00 O ATOM 0 H TYR A 50 -1.273 -2.933 7.656 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.092 -4.870 5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.040 -2.757 6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.900 -3.232 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.160 -5.762 4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.303 -4.064 7.812 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.809 -7.593 4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.916 -5.920 8.153 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.955 -7.661 7.234 1.00 0.00 H new ATOM 720 N ARG A 51 0.527 -3.375 4.220 1.00 0.00 N ATOM 721 CA ARG A 51 1.527 -2.574 3.515 1.00 0.00 C ATOM 722 C ARG A 51 1.006 -2.282 2.112 1.00 0.00 C ATOM 723 O ARG A 51 1.205 -3.094 1.209 1.00 0.00 O ATOM 724 CB ARG A 51 2.891 -3.298 3.525 1.00 0.00 C ATOM 725 CG ARG A 51 3.984 -2.405 2.916 1.00 0.00 C ATOM 726 CD ARG A 51 5.417 -2.840 3.252 1.00 0.00 C ATOM 727 NE ARG A 51 5.924 -3.961 2.445 1.00 0.00 N ATOM 728 CZ ARG A 51 6.609 -5.024 2.883 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.871 -5.208 4.173 1.00 0.00 N ATOM 730 NH2 ARG A 51 7.037 -5.919 2.008 1.00 0.00 N ATOM 0 H ARG A 51 0.549 -4.362 3.963 1.00 0.00 H new ATOM 0 HA ARG A 51 1.692 -1.619 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.160 -3.564 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.819 -4.228 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.865 -2.394 1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.837 -1.383 3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.082 -1.986 3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.460 -3.119 4.305 1.00 0.00 H new ATOM 0 HE ARG A 51 5.733 -3.924 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.547 -4.528 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.396 -6.029 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.844 -5.794 1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.560 -6.734 2.327 1.00 0.00 H new ATOM 744 N ILE A 52 0.315 -1.152 1.920 1.00 0.00 N ATOM 745 CA ILE A 52 -0.206 -0.808 0.597 1.00 0.00 C ATOM 746 C ILE A 52 0.963 -0.274 -0.222 1.00 0.00 C ATOM 747 O ILE A 52 1.593 0.716 0.155 1.00 0.00 O ATOM 748 CB ILE A 52 -1.404 0.180 0.652 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.660 -0.593 1.116 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.670 0.864 -0.707 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.014 0.104 0.920 1.00 0.00 C ATOM 0 H ILE A 52 0.108 -0.472 2.652 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.622 -1.696 0.121 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.159 0.974 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.688 -1.545 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.546 -0.822 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.517 1.544 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.786 1.425 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.895 0.106 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.812 -0.542 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.024 1.042 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.168 0.308 -0.140 1.00 0.00 H new ATOM 763 N TYR A 53 1.211 -0.908 -1.361 1.00 0.00 N ATOM 764 CA TYR A 53 2.051 -0.393 -2.428 1.00 0.00 C ATOM 765 C TYR A 53 1.148 0.354 -3.393 1.00 0.00 C ATOM 766 O TYR A 53 0.006 -0.048 -3.585 1.00 0.00 O ATOM 767 CB TYR A 53 2.721 -1.565 -3.151 1.00 0.00 C ATOM 768 CG TYR A 53 3.899 -2.162 -2.418 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.669 -3.000 -1.309 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.216 -1.893 -2.844 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.747 -3.571 -0.616 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.294 -2.445 -2.135 1.00 0.00 C ATOM 773 CZ TYR A 53 6.067 -3.298 -1.030 1.00 0.00 C ATOM 774 OH TYR A 53 7.100 -3.873 -0.362 1.00 0.00 O ATOM 0 H TYR A 53 0.818 -1.826 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 53 2.825 0.267 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.979 -2.346 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.053 -1.228 -4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.657 -3.204 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.393 -1.269 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.567 -4.217 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.306 -2.216 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 53 7.948 -3.590 -0.765 1.00 0.00 H new ATOM 784 N TYR A 54 1.633 1.432 -4.002 1.00 0.00 N ATOM 785 CA TYR A 54 0.976 2.135 -5.086 1.00 0.00 C ATOM 786 C TYR A 54 1.987 2.893 -5.933 1.00 0.00 C ATOM 787 O TYR A 54 3.133 3.096 -5.513 1.00 0.00 O ATOM 788 CB TYR A 54 -0.082 3.086 -4.520 1.00 0.00 C ATOM 789 CG TYR A 54 0.482 4.177 -3.643 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.804 3.853 -2.318 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.656 5.487 -4.120 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.274 4.846 -1.443 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.101 6.495 -3.243 1.00 0.00 C ATOM 794 CZ TYR A 54 1.386 6.181 -1.894 1.00 0.00 C ATOM 795 OH TYR A 54 1.811 7.157 -1.049 1.00 0.00 O ATOM 0 H TYR A 54 2.526 1.850 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 54 0.485 1.406 -5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.625 3.543 -5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.805 2.508 -3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.690 2.837 -1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.449 5.720 -5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.549 4.591 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.224 7.507 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 54 1.830 8.015 -1.523 1.00 0.00 H new ATOM 805 N TRP A 55 1.579 3.298 -7.130 1.00 0.00 N ATOM 806 CA TRP A 55 2.322 4.213 -7.972 1.00 0.00 C ATOM 807 C TRP A 55 1.368 5.052 -8.826 1.00 0.00 C ATOM 808 O TRP A 55 0.219 4.667 -9.065 1.00 0.00 O ATOM 809 CB TRP A 55 3.345 3.431 -8.804 1.00 0.00 C ATOM 810 CG TRP A 55 2.854 2.267 -9.617 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.362 2.347 -10.872 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.846 0.842 -9.281 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.084 1.082 -11.343 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.355 0.113 -10.405 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.193 0.082 -8.141 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.214 -1.284 -10.397 1.00 0.00 C ATOM 817 CZ3 TRP A 55 3.103 -1.324 -8.137 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.585 -2.007 -9.252 1.00 0.00 C ATOM 0 H TRP A 55 0.701 2.989 -7.547 1.00 0.00 H new ATOM 0 HA TRP A 55 2.879 4.918 -7.355 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.828 4.133 -9.484 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.115 3.063 -8.126 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.210 3.263 -11.423 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.721 0.887 -12.276 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.535 0.591 -7.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.824 -1.798 -11.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.434 -1.881 -7.273 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.473 -3.081 -9.228 1.00 0.00 H new ATOM 829 N LYS A 56 1.881 6.187 -9.309 1.00 0.00 N ATOM 830 CA LYS A 56 1.279 7.007 -10.356 1.00 0.00 C ATOM 831 C LYS A 56 1.381 6.194 -11.642 1.00 0.00 C ATOM 832 O LYS A 56 2.456 5.668 -11.939 1.00 0.00 O ATOM 833 CB LYS A 56 2.082 8.320 -10.454 1.00 0.00 C ATOM 834 CG LYS A 56 1.621 9.336 -11.515 1.00 0.00 C ATOM 835 CD LYS A 56 0.394 10.156 -11.107 1.00 0.00 C ATOM 836 CE LYS A 56 0.146 11.410 -11.965 1.00 0.00 C ATOM 837 NZ LYS A 56 1.098 12.510 -11.692 1.00 0.00 N ATOM 0 H LYS A 56 2.761 6.572 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 56 0.237 7.261 -10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.054 8.809 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.123 8.068 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.444 10.017 -11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.397 8.803 -12.439 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.487 9.517 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.507 10.460 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.210 11.138 -13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.869 11.766 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.586 13.415 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.560 12.350 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.819 12.539 -12.441 1.00 0.00 H new ATOM 851 N THR A 57 0.293 6.090 -12.394 1.00 0.00 N ATOM 852 CA THR A 57 0.272 5.424 -13.688 1.00 0.00 C ATOM 853 C THR A 57 0.155 6.519 -14.754 1.00 0.00 C ATOM 854 O THR A 57 -0.279 7.629 -14.449 1.00 0.00 O ATOM 855 CB THR A 57 -0.868 4.382 -13.670 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.528 3.408 -12.697 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.068 3.634 -14.993 1.00 0.00 C ATOM 0 H THR A 57 -0.612 6.471 -12.118 1.00 0.00 H new ATOM 0 HA THR A 57 1.176 4.862 -13.920 1.00 0.00 H new ATOM 0 HB THR A 57 -1.790 4.926 -13.465 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.424 3.483 -12.477 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.888 2.923 -14.889 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.304 4.348 -15.782 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.154 3.098 -15.250 1.00 0.00 H new ATOM 865 N GLN A 58 0.538 6.201 -15.998 1.00 0.00 N ATOM 866 CA GLN A 58 0.507 7.087 -17.161 1.00 0.00 C ATOM 867 C GLN A 58 1.026 8.495 -16.841 1.00 0.00 C ATOM 868 O GLN A 58 0.265 9.461 -16.784 1.00 0.00 O ATOM 869 CB GLN A 58 -0.868 7.033 -17.855 1.00 0.00 C ATOM 870 CG GLN A 58 -2.114 7.245 -16.973 1.00 0.00 C ATOM 871 CD GLN A 58 -3.395 7.275 -17.804 1.00 0.00 C ATOM 872 OE1 GLN A 58 -3.773 6.266 -18.391 1.00 0.00 O ATOM 873 NE2 GLN A 58 -4.050 8.421 -17.915 1.00 0.00 N ATOM 0 H GLN A 58 0.894 5.273 -16.228 1.00 0.00 H new ATOM 0 HA GLN A 58 1.218 6.718 -17.900 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.879 7.788 -18.641 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.961 6.063 -18.343 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.178 6.446 -16.235 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.015 8.180 -16.422 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.719 9.248 -17.418 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.886 8.476 -18.497 1.00 0.00 H new ATOM 882 N SER A 59 2.339 8.598 -16.638 1.00 0.00 N ATOM 883 CA SER A 59 3.003 9.812 -16.201 1.00 0.00 C ATOM 884 C SER A 59 4.330 9.876 -16.952 1.00 0.00 C ATOM 885 O SER A 59 5.261 9.131 -16.642 1.00 0.00 O ATOM 886 CB SER A 59 3.142 9.767 -14.673 1.00 0.00 C ATOM 887 OG SER A 59 3.064 11.051 -14.082 1.00 0.00 O ATOM 0 H SER A 59 2.980 7.817 -16.778 1.00 0.00 H new ATOM 0 HA SER A 59 2.448 10.723 -16.425 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.359 9.132 -14.259 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.096 9.308 -14.412 1.00 0.00 H new ATOM 0 HG SER A 59 3.599 11.066 -13.261 1.00 0.00 H new ATOM 893 N SER A 60 4.388 10.731 -17.973 1.00 0.00 N ATOM 894 CA SER A 60 5.491 10.894 -18.911 1.00 0.00 C ATOM 895 C SER A 60 5.667 9.677 -19.835 1.00 0.00 C ATOM 896 O SER A 60 5.463 8.519 -19.456 1.00 0.00 O ATOM 897 CB SER A 60 6.789 11.292 -18.178 1.00 0.00 C ATOM 898 OG SER A 60 7.255 12.550 -18.635 1.00 0.00 O ATOM 0 H SER A 60 3.616 11.366 -18.177 1.00 0.00 H new ATOM 0 HA SER A 60 5.236 11.720 -19.575 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.608 11.334 -17.104 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.554 10.533 -18.343 1.00 0.00 H new ATOM 0 HG SER A 60 8.078 12.787 -18.158 1.00 0.00 H new ATOM 904 N SER A 61 6.077 9.947 -21.073 1.00 0.00 N ATOM 905 CA SER A 61 6.356 8.952 -22.094 1.00 0.00 C ATOM 906 C SER A 61 7.845 8.607 -22.069 1.00 0.00 C ATOM 907 O SER A 61 8.632 9.057 -22.911 1.00 0.00 O ATOM 908 CB SER A 61 5.882 9.472 -23.458 1.00 0.00 C ATOM 909 OG SER A 61 4.466 9.519 -23.487 1.00 0.00 O ATOM 0 H SER A 61 6.228 10.901 -21.400 1.00 0.00 H new ATOM 0 HA SER A 61 5.809 8.030 -21.898 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.292 10.465 -23.642 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.250 8.823 -24.253 1.00 0.00 H new ATOM 0 HG SER A 61 4.168 9.853 -24.359 1.00 0.00 H new ATOM 915 N LYS A 62 8.252 7.774 -21.113 1.00 0.00 N ATOM 916 CA LYS A 62 9.593 7.197 -21.056 1.00 0.00 C ATOM 917 C LYS A 62 9.446 5.743 -20.620 1.00 0.00 C ATOM 918 O LYS A 62 8.514 5.410 -19.886 1.00 0.00 O ATOM 919 CB LYS A 62 10.471 8.037 -20.100 1.00 0.00 C ATOM 920 CG LYS A 62 11.796 8.499 -20.729 1.00 0.00 C ATOM 921 CD LYS A 62 12.815 7.386 -21.003 1.00 0.00 C ATOM 922 CE LYS A 62 14.022 7.934 -21.768 1.00 0.00 C ATOM 923 NZ LYS A 62 14.898 8.783 -20.931 1.00 0.00 N ATOM 0 H LYS A 62 7.650 7.477 -20.345 1.00 0.00 H new ATOM 0 HA LYS A 62 10.093 7.214 -22.025 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.907 8.912 -19.777 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.687 7.449 -19.208 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.576 9.007 -21.668 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.255 9.235 -20.069 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.144 6.947 -20.061 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.344 6.589 -21.579 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.603 7.101 -22.164 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.672 8.513 -22.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.697 9.125 -21.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.355 9.595 -20.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.258 8.226 -20.129 1.00 0.00 H new ATOM 937 N ARG A 63 10.329 4.857 -21.083 1.00 0.00 N ATOM 938 CA ARG A 63 10.388 3.454 -20.682 1.00 0.00 C ATOM 939 C ARG A 63 11.855 3.059 -20.679 1.00 0.00 C ATOM 940 O ARG A 63 12.538 3.300 -21.676 1.00 0.00 O ATOM 941 CB ARG A 63 9.623 2.558 -21.670 1.00 0.00 C ATOM 942 CG ARG A 63 8.113 2.825 -21.723 1.00 0.00 C ATOM 943 CD ARG A 63 7.450 1.876 -22.724 1.00 0.00 C ATOM 944 NE ARG A 63 6.027 2.195 -22.904 1.00 0.00 N ATOM 945 CZ ARG A 63 5.428 2.633 -24.017 1.00 0.00 C ATOM 946 NH1 ARG A 63 6.116 2.996 -25.096 1.00 0.00 N ATOM 947 NH2 ARG A 63 4.110 2.712 -24.018 1.00 0.00 N ATOM 0 H ARG A 63 11.043 5.105 -21.768 1.00 0.00 H new ATOM 0 HA ARG A 63 9.930 3.328 -19.701 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.040 2.697 -22.667 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.787 1.515 -21.399 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.676 2.687 -20.734 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.928 3.860 -22.012 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.963 1.941 -23.684 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.553 0.848 -22.376 1.00 0.00 H new ATOM 0 HE ARG A 63 5.428 2.068 -22.088 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.135 2.945 -25.092 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.625 3.325 -25.927 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.582 2.443 -23.187 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.619 3.042 -24.849 1.00 0.00 H new ATOM 961 N ASN A 64 12.343 2.464 -19.595 1.00 0.00 N ATOM 962 CA ASN A 64 13.637 1.795 -19.471 1.00 0.00 C ATOM 963 C ASN A 64 13.662 1.114 -18.093 1.00 0.00 C ATOM 964 O ASN A 64 12.631 1.077 -17.414 1.00 0.00 O ATOM 965 CB ASN A 64 14.817 2.782 -19.630 1.00 0.00 C ATOM 966 CG ASN A 64 15.991 2.129 -20.349 1.00 0.00 C ATOM 967 OD1 ASN A 64 16.224 0.928 -20.227 1.00 0.00 O ATOM 968 ND2 ASN A 64 16.743 2.887 -21.120 1.00 0.00 N ATOM 0 H ASN A 64 11.813 2.433 -18.724 1.00 0.00 H new ATOM 0 HA ASN A 64 13.756 1.061 -20.268 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.488 3.659 -20.188 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.137 3.131 -18.648 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.530 2.479 -21.625 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.539 3.882 -21.212 1.00 0.00 H new ATOM 975 N ARG A 65 14.814 0.612 -17.636 1.00 0.00 N ATOM 976 CA ARG A 65 14.986 0.205 -16.236 1.00 0.00 C ATOM 977 C ARG A 65 14.806 1.407 -15.309 1.00 0.00 C ATOM 978 O ARG A 65 14.917 2.551 -15.762 1.00 0.00 O ATOM 979 CB ARG A 65 16.385 -0.376 -15.992 1.00 0.00 C ATOM 980 CG ARG A 65 16.805 -1.480 -16.970 1.00 0.00 C ATOM 981 CD ARG A 65 18.145 -2.069 -16.512 1.00 0.00 C ATOM 982 NE ARG A 65 18.002 -3.439 -15.999 1.00 0.00 N ATOM 983 CZ ARG A 65 18.463 -4.560 -16.568 1.00 0.00 C ATOM 984 NH1 ARG A 65 18.946 -4.577 -17.807 1.00 0.00 N ATOM 985 NH2 ARG A 65 18.442 -5.686 -15.878 1.00 0.00 N ATOM 0 H ARG A 65 15.643 0.477 -18.215 1.00 0.00 H new ATOM 0 HA ARG A 65 14.234 -0.556 -16.027 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.113 0.433 -16.046 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.425 -0.774 -14.978 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.044 -2.260 -17.007 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.896 -1.075 -17.978 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.846 -2.067 -17.347 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.573 -1.435 -15.735 1.00 0.00 H new ATOM 0 HE ARG A 65 17.499 -3.547 -15.118 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.974 -3.717 -18.355 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.289 -5.450 -18.209 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.078 -5.694 -14.925 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.790 -6.548 -16.298 1.00 0.00 H new ATOM 999 N ARG A 66 14.642 1.161 -14.005 1.00 0.00 N ATOM 1000 CA ARG A 66 14.478 2.182 -12.965 1.00 0.00 C ATOM 1001 C ARG A 66 13.473 3.244 -13.422 1.00 0.00 C ATOM 1002 O ARG A 66 13.801 4.420 -13.603 1.00 0.00 O ATOM 1003 CB ARG A 66 15.860 2.737 -12.559 1.00 0.00 C ATOM 1004 CG ARG A 66 15.893 3.391 -11.167 1.00 0.00 C ATOM 1005 CD ARG A 66 15.764 2.361 -10.030 1.00 0.00 C ATOM 1006 NE ARG A 66 14.412 2.282 -9.457 1.00 0.00 N ATOM 1007 CZ ARG A 66 13.945 1.263 -8.722 1.00 0.00 C ATOM 1008 NH1 ARG A 66 14.608 0.111 -8.633 1.00 0.00 N ATOM 1009 NH2 ARG A 66 12.806 1.394 -8.052 1.00 0.00 N ATOM 0 H ARG A 66 14.619 0.212 -13.632 1.00 0.00 H new ATOM 0 HA ARG A 66 14.051 1.749 -12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.587 1.925 -12.584 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.176 3.471 -13.300 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.826 3.942 -11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.083 4.116 -11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.047 1.378 -10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.470 2.615 -9.239 1.00 0.00 H new ATOM 0 HE ARG A 66 13.780 3.063 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.490 -0.009 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.233 -0.651 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.286 2.270 -8.097 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.451 0.618 -7.493 1.00 0.00 H new ATOM 1023 N HIS A 67 12.248 2.792 -13.679 1.00 0.00 N ATOM 1024 CA HIS A 67 11.133 3.611 -14.125 1.00 0.00 C ATOM 1025 C HIS A 67 9.949 3.378 -13.208 1.00 0.00 C ATOM 1026 O HIS A 67 9.758 2.258 -12.728 1.00 0.00 O ATOM 1027 CB HIS A 67 10.774 3.277 -15.576 1.00 0.00 C ATOM 1028 CG HIS A 67 11.514 4.091 -16.596 1.00 0.00 C ATOM 1029 ND1 HIS A 67 12.879 4.212 -16.721 1.00 0.00 N ATOM 1030 CD2 HIS A 67 10.934 4.860 -17.564 1.00 0.00 C ATOM 1031 CE1 HIS A 67 13.128 5.039 -17.744 1.00 0.00 C ATOM 1032 NE2 HIS A 67 11.971 5.462 -18.282 1.00 0.00 N ATOM 0 H HIS A 67 11.999 1.808 -13.577 1.00 0.00 H new ATOM 0 HA HIS A 67 11.413 4.664 -14.085 1.00 0.00 H new ATOM 0 HB2 HIS A 67 10.976 2.221 -15.754 1.00 0.00 H new ATOM 0 HB3 HIS A 67 9.703 3.425 -15.717 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.578 3.753 -16.137 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.875 4.980 -17.741 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.112 5.324 -18.086 1.00 0.00 H new ATOM 1040 N ILE A 68 9.148 4.434 -13.034 1.00 0.00 N ATOM 1041 CA ILE A 68 8.083 4.610 -12.057 1.00 0.00 C ATOM 1042 C ILE A 68 8.670 4.558 -10.634 1.00 0.00 C ATOM 1043 O ILE A 68 9.678 3.897 -10.374 1.00 0.00 O ATOM 1044 CB ILE A 68 6.935 3.630 -12.388 1.00 0.00 C ATOM 1045 CG1 ILE A 68 6.243 4.063 -13.704 1.00 0.00 C ATOM 1046 CG2 ILE A 68 5.900 3.504 -11.259 1.00 0.00 C ATOM 1047 CD1 ILE A 68 5.347 2.978 -14.309 1.00 0.00 C ATOM 0 H ILE A 68 9.242 5.257 -13.629 1.00 0.00 H new ATOM 0 HA ILE A 68 7.621 5.596 -12.105 1.00 0.00 H new ATOM 0 HB ILE A 68 7.383 2.643 -12.506 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.644 4.954 -13.514 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.005 4.341 -14.432 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.122 2.801 -11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.390 3.142 -10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.453 4.479 -11.064 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.895 3.350 -15.228 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.945 2.094 -14.531 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.562 2.716 -13.599 1.00 0.00 H new ATOM 1059 N GLU A 69 8.100 5.343 -9.724 1.00 0.00 N ATOM 1060 CA GLU A 69 8.445 5.423 -8.324 1.00 0.00 C ATOM 1061 C GLU A 69 7.323 4.703 -7.574 1.00 0.00 C ATOM 1062 O GLU A 69 6.141 4.933 -7.851 1.00 0.00 O ATOM 1063 CB GLU A 69 8.539 6.916 -8.009 1.00 0.00 C ATOM 1064 CG GLU A 69 8.594 7.285 -6.533 1.00 0.00 C ATOM 1065 CD GLU A 69 9.932 6.999 -5.827 1.00 0.00 C ATOM 1066 OE1 GLU A 69 10.654 6.050 -6.208 1.00 0.00 O ATOM 1067 OE2 GLU A 69 10.262 7.668 -4.815 1.00 0.00 O ATOM 0 H GLU A 69 7.339 5.976 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 69 9.389 4.956 -8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.429 7.314 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.680 7.416 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.371 8.347 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.805 6.743 -6.011 1.00 0.00 H new ATOM 1074 N LYS A 70 7.689 3.793 -6.673 1.00 0.00 N ATOM 1075 CA LYS A 70 6.786 2.790 -6.112 1.00 0.00 C ATOM 1076 C LYS A 70 6.684 3.000 -4.612 1.00 0.00 C ATOM 1077 O LYS A 70 7.515 2.514 -3.846 1.00 0.00 O ATOM 1078 CB LYS A 70 7.224 1.370 -6.504 1.00 0.00 C ATOM 1079 CG LYS A 70 6.957 1.121 -7.992 1.00 0.00 C ATOM 1080 CD LYS A 70 7.042 -0.365 -8.364 1.00 0.00 C ATOM 1081 CE LYS A 70 7.282 -0.397 -9.882 1.00 0.00 C ATOM 1082 NZ LYS A 70 7.584 -1.723 -10.461 1.00 0.00 N ATOM 0 H LYS A 70 8.639 3.731 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 70 5.786 2.909 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.285 1.238 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.685 0.637 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.968 1.500 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.678 1.683 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.853 -0.858 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.123 -0.888 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.397 0.002 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.108 0.276 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.728 -1.629 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.447 -2.104 -10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.790 -2.370 -10.280 1.00 0.00 H new ATOM 1096 N LYS A 71 5.664 3.761 -4.226 1.00 0.00 N ATOM 1097 CA LYS A 71 5.455 4.300 -2.895 1.00 0.00 C ATOM 1098 C LYS A 71 4.768 3.270 -2.017 1.00 0.00 C ATOM 1099 O LYS A 71 4.132 2.344 -2.534 1.00 0.00 O ATOM 1100 CB LYS A 71 4.668 5.601 -3.056 1.00 0.00 C ATOM 1101 CG LYS A 71 5.117 6.684 -2.068 1.00 0.00 C ATOM 1102 CD LYS A 71 4.772 8.058 -2.638 1.00 0.00 C ATOM 1103 CE LYS A 71 5.286 9.227 -1.788 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.576 9.775 -2.269 1.00 0.00 N ATOM 0 H LYS A 71 4.923 4.030 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 71 6.393 4.527 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.787 5.971 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.606 5.400 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.625 6.542 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.190 6.609 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.189 8.140 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.689 8.140 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.540 10.021 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.402 8.894 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.870 10.561 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.300 9.029 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.465 10.121 -3.244 1.00 0.00 H new ATOM 1118 N ILE A 72 4.912 3.418 -0.701 1.00 0.00 N ATOM 1119 CA ILE A 72 4.510 2.409 0.275 1.00 0.00 C ATOM 1120 C ILE A 72 3.901 3.113 1.479 1.00 0.00 C ATOM 1121 O ILE A 72 4.595 3.802 2.234 1.00 0.00 O ATOM 1122 CB ILE A 72 5.685 1.494 0.681 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.253 0.678 -0.503 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.227 0.476 1.733 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.665 1.121 -0.876 1.00 0.00 C ATOM 0 H ILE A 72 5.317 4.253 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 72 3.766 1.753 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 72 6.457 2.162 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.262 -0.380 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.598 0.789 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.065 -0.163 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.865 1.003 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.425 -0.137 1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.025 0.522 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.653 2.173 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.327 0.985 -0.021 1.00 0.00 H new ATOM 1137 N LEU A 73 2.598 2.936 1.643 1.00 0.00 N ATOM 1138 CA LEU A 73 1.815 3.430 2.770 1.00 0.00 C ATOM 1139 C LEU A 73 2.046 2.551 3.997 1.00 0.00 C ATOM 1140 O LEU A 73 2.554 1.433 3.887 1.00 0.00 O ATOM 1141 CB LEU A 73 0.331 3.430 2.373 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.170 4.837 2.035 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -1.359 4.675 1.118 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.644 5.635 3.246 1.00 0.00 C ATOM 0 H LEU A 73 2.032 2.423 0.967 1.00 0.00 H new ATOM 0 HA LEU A 73 2.123 4.445 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.185 2.776 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.263 3.020 3.189 1.00 0.00 H new ATOM 0 HG LEU A 73 0.665 5.382 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.749 5.657 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.052 4.148 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.135 4.102 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.983 6.619 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.467 5.108 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.179 5.748 3.952 1.00 0.00 H new ATOM 1156 N THR A 74 1.614 3.037 5.160 1.00 0.00 N ATOM 1157 CA THR A 74 1.689 2.316 6.419 1.00 0.00 C ATOM 1158 C THR A 74 0.285 2.287 7.020 1.00 0.00 C ATOM 1159 O THR A 74 -0.328 3.340 7.208 1.00 0.00 O ATOM 1160 CB THR A 74 2.702 2.999 7.362 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.955 3.214 6.729 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.966 2.146 8.606 1.00 0.00 C ATOM 0 H THR A 74 1.194 3.962 5.249 1.00 0.00 H new ATOM 0 HA THR A 74 2.038 1.295 6.266 1.00 0.00 H new ATOM 0 HB THR A 74 2.254 3.954 7.637 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.568 3.650 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.684 2.654 9.250 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.033 1.996 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.370 1.179 8.305 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.205 1.092 7.337 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.369 0.860 8.179 1.00 0.00 C ATOM 1172 C PHE A 75 -0.962 -0.271 9.108 1.00 0.00 C ATOM 1173 O PHE A 75 -0.613 -1.346 8.615 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.592 0.463 7.337 1.00 0.00 C ATOM 1175 CG PHE A 75 -2.927 1.448 6.239 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.588 2.649 6.552 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.531 1.186 4.914 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.858 3.588 5.542 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.798 2.127 3.908 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.462 3.323 4.220 1.00 0.00 C ATOM 0 H PHE A 75 0.216 0.226 7.000 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.658 1.757 8.727 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.412 -0.515 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.455 0.360 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.888 2.850 7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.023 0.264 4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.368 4.510 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.492 1.930 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.669 4.042 3.442 1.00 0.00 H new ATOM 1190 N GLN A 76 -0.894 -0.046 10.418 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.830 -1.169 11.342 1.00 0.00 C ATOM 1192 C GLN A 76 -2.229 -1.740 11.526 1.00 0.00 C ATOM 1193 O GLN A 76 -3.233 -1.060 11.285 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.315 -0.763 12.728 1.00 0.00 C ATOM 1195 CG GLN A 76 1.101 -0.214 12.745 1.00 0.00 C ATOM 1196 CD GLN A 76 1.511 0.159 14.172 1.00 0.00 C ATOM 1197 OE1 GLN A 76 1.566 -0.673 15.075 1.00 0.00 O ATOM 1198 NE2 GLN A 76 1.783 1.426 14.421 1.00 0.00 N ATOM 0 H GLN A 76 -0.882 0.877 10.852 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.140 -1.896 10.913 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.986 -0.012 13.144 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.361 -1.631 13.386 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.791 -0.957 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.166 0.662 12.100 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.737 2.115 13.670 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.040 1.717 15.364 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.245 -2.946 12.077 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.421 -3.625 12.578 1.00 0.00 C ATOM 1209 C GLY A 77 -4.432 -3.969 11.494 1.00 0.00 C ATOM 1210 O GLY A 77 -4.288 -3.634 10.317 1.00 0.00 O ATOM 0 H GLY A 77 -1.396 -3.499 12.190 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.114 -4.542 13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.903 -2.996 13.326 1.00 0.00 H new ATOM 1214 N SER A 78 -5.444 -4.729 11.897 1.00 0.00 N ATOM 1215 CA SER A 78 -6.179 -5.610 11.002 1.00 0.00 C ATOM 1216 C SER A 78 -7.343 -4.892 10.305 1.00 0.00 C ATOM 1217 O SER A 78 -8.441 -5.440 10.172 1.00 0.00 O ATOM 1218 CB SER A 78 -6.592 -6.859 11.788 1.00 0.00 C ATOM 1219 OG SER A 78 -5.467 -7.405 12.458 1.00 0.00 O ATOM 0 H SER A 78 -5.778 -4.750 12.860 1.00 0.00 H new ATOM 0 HA SER A 78 -5.540 -5.926 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.367 -6.604 12.510 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.018 -7.600 11.112 1.00 0.00 H new ATOM 0 HG SER A 78 -5.740 -8.202 12.959 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.136 -3.638 9.893 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.100 -2.819 9.173 1.00 0.00 C ATOM 1227 C LYS A 79 -8.504 -3.462 7.847 1.00 0.00 C ATOM 1228 O LYS A 79 -7.878 -4.407 7.369 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.507 -1.414 8.986 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.680 -0.552 10.245 1.00 0.00 C ATOM 1231 CD LYS A 79 -6.759 -0.834 11.441 1.00 0.00 C ATOM 1232 CE LYS A 79 -7.261 -0.004 12.626 1.00 0.00 C ATOM 1233 NZ LYS A 79 -6.290 0.078 13.733 1.00 0.00 N ATOM 0 H LYS A 79 -6.255 -3.151 10.061 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.019 -2.738 9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.447 -1.496 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.991 -0.925 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.545 0.491 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.710 -0.658 10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.768 -1.896 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.729 -0.571 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.495 1.003 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.189 -0.438 12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.689 0.652 14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.084 -0.878 14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.411 0.518 13.392 1.00 0.00 H new ATOM 1247 N THR A 80 -9.560 -2.928 7.256 1.00 0.00 N ATOM 1248 CA THR A 80 -10.197 -3.417 6.040 1.00 0.00 C ATOM 1249 C THR A 80 -10.391 -2.273 5.033 1.00 0.00 C ATOM 1250 O THR A 80 -11.075 -2.409 4.015 1.00 0.00 O ATOM 1251 CB THR A 80 -11.503 -4.104 6.450 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.213 -3.277 7.362 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.219 -5.443 7.132 1.00 0.00 C ATOM 0 H THR A 80 -10.022 -2.099 7.629 1.00 0.00 H new ATOM 0 HA THR A 80 -9.572 -4.146 5.524 1.00 0.00 H new ATOM 0 HB THR A 80 -12.094 -4.274 5.550 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.049 -3.718 7.621 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.160 -5.914 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.680 -6.094 6.444 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.614 -5.276 8.023 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.807 -1.118 5.338 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.842 0.093 4.554 1.00 0.00 C ATOM 1263 C HIS A 81 -8.615 0.911 4.947 1.00 0.00 C ATOM 1264 O HIS A 81 -8.031 0.705 6.017 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.144 0.861 4.835 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.289 1.227 6.293 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -10.939 2.428 6.866 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.658 0.377 7.302 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.075 2.293 8.192 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -11.486 1.053 8.515 1.00 0.00 N ATOM 0 H HIS A 81 -9.265 -1.005 6.195 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.822 -0.120 3.485 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.166 1.768 4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.995 0.253 4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.018 -0.634 7.183 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.880 3.077 8.908 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.641 0.682 9.452 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.229 1.848 4.094 1.00 0.00 N ATOM 1279 CA GLY A 82 -7.095 2.738 4.263 1.00 0.00 C ATOM 1280 C GLY A 82 -7.254 3.877 3.269 1.00 0.00 C ATOM 1281 O GLY A 82 -8.181 3.857 2.462 1.00 0.00 O ATOM 0 H GLY A 82 -8.726 2.015 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.058 3.122 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.160 2.205 4.089 1.00 0.00 H new ATOM 1285 N MET A 83 -6.373 4.875 3.293 1.00 0.00 N ATOM 1286 CA MET A 83 -6.505 6.032 2.419 1.00 0.00 C ATOM 1287 C MET A 83 -5.191 6.351 1.742 1.00 0.00 C ATOM 1288 O MET A 83 -4.122 6.054 2.271 1.00 0.00 O ATOM 1289 CB MET A 83 -7.005 7.248 3.202 1.00 0.00 C ATOM 1290 CG MET A 83 -8.376 6.996 3.825 1.00 0.00 C ATOM 1291 SD MET A 83 -9.194 8.523 4.326 1.00 0.00 S ATOM 1292 CE MET A 83 -10.213 8.751 2.851 1.00 0.00 C ATOM 0 H MET A 83 -5.561 4.903 3.909 1.00 0.00 H new ATOM 0 HA MET A 83 -7.238 5.788 1.650 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.289 7.495 3.986 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.060 8.110 2.538 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.006 6.467 3.109 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.264 6.345 4.692 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.769 9.685 2.934 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.574 8.786 1.969 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.912 7.919 2.759 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.289 7.025 0.604 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.190 7.548 -0.182 1.00 0.00 C ATOM 1304 C LEU A 84 -4.287 9.073 -0.097 1.00 0.00 C ATOM 1305 O LEU A 84 -4.880 9.673 -0.990 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.313 7.022 -1.634 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.619 5.687 -1.953 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.100 5.817 -1.989 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -4.006 4.550 -1.011 1.00 0.00 C ATOM 0 H LEU A 84 -6.195 7.231 0.183 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.215 7.228 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.372 6.918 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.912 7.782 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.981 5.428 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.657 4.848 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.815 6.537 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.741 6.160 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.476 3.642 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.738 4.817 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.081 4.378 -1.071 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.778 9.719 0.970 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.562 11.155 0.977 1.00 0.00 C ATOM 1323 C PRO A 85 -2.202 11.506 0.357 1.00 0.00 C ATOM 1324 O PRO A 85 -1.245 10.718 0.433 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.618 11.558 2.453 1.00 0.00 C ATOM 1326 CG PRO A 85 -3.121 10.320 3.198 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.435 9.147 2.265 1.00 0.00 C ATOM 0 HA PRO A 85 -4.308 11.685 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.987 12.424 2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.631 11.825 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.053 10.386 3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.625 10.207 4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.576 8.481 2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.261 8.553 2.656 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.087 12.724 -0.178 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.854 13.261 -0.746 1.00 0.00 C ATOM 1337 C GLY A 86 -0.756 13.017 -2.249 1.00 0.00 C ATOM 1338 O GLY A 86 0.345 13.047 -2.802 1.00 0.00 O ATOM 0 H GLY A 86 -2.869 13.377 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.802 14.332 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.002 12.804 -0.249 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.869 12.692 -2.906 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.891 12.292 -4.306 1.00 0.00 C ATOM 1344 C LEU A 87 -2.035 13.528 -5.199 1.00 0.00 C ATOM 1345 O LEU A 87 -1.923 14.662 -4.729 1.00 0.00 O ATOM 1346 CB LEU A 87 -2.999 11.235 -4.505 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.586 9.782 -4.181 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.593 9.211 -5.189 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.954 9.639 -2.793 1.00 0.00 C ATOM 0 H LEU A 87 -2.792 12.700 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.952 11.824 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.851 11.502 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.338 11.277 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.522 9.226 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.339 8.188 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.040 9.216 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.689 9.820 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.684 8.597 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.060 10.259 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.668 9.959 -2.034 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.244 13.313 -6.496 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.441 14.287 -7.544 1.00 0.00 C ATOM 1363 C GLU A 88 -3.734 13.862 -8.281 1.00 0.00 C ATOM 1364 O GLU A 88 -3.973 12.655 -8.416 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.163 14.258 -8.400 1.00 0.00 C ATOM 1366 CG GLU A 88 -1.350 14.767 -9.826 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.142 15.516 -10.382 1.00 0.00 C ATOM 1368 OE1 GLU A 88 0.305 16.493 -9.736 1.00 0.00 O ATOM 1369 OE2 GLU A 88 0.330 15.136 -11.479 1.00 0.00 O ATOM 0 H GLU A 88 -2.281 12.362 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.581 15.317 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.398 14.860 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.789 13.235 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.571 13.921 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.218 15.426 -9.855 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.592 14.802 -8.709 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.740 14.529 -9.567 1.00 0.00 C ATOM 1378 C PRO A 89 -5.320 14.234 -11.022 1.00 0.00 C ATOM 1379 O PRO A 89 -4.134 14.174 -11.352 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.635 15.772 -9.451 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.818 16.840 -8.722 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.447 16.231 -8.508 1.00 0.00 C ATOM 0 HA PRO A 89 -6.272 13.630 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.938 16.124 -10.437 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.547 15.541 -8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.753 17.754 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.281 17.107 -7.772 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.724 16.649 -9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.080 16.446 -7.504 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.318 14.098 -11.901 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.220 13.998 -13.354 1.00 0.00 C ATOM 1392 C PHE A 90 -5.212 12.938 -13.816 1.00 0.00 C ATOM 1393 O PHE A 90 -4.410 13.172 -14.722 1.00 0.00 O ATOM 1394 CB PHE A 90 -5.969 15.404 -13.942 1.00 0.00 C ATOM 1395 CG PHE A 90 -6.420 15.678 -15.374 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -7.577 15.087 -15.928 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -5.720 16.642 -16.127 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.020 15.461 -17.210 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.153 17.002 -17.415 1.00 0.00 C ATOM 1400 CZ PHE A 90 -7.309 16.417 -17.955 1.00 0.00 C ATOM 0 H PHE A 90 -7.288 14.052 -11.588 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.169 13.635 -13.749 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.461 16.129 -13.294 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.899 15.602 -13.886 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.124 14.345 -15.365 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.841 17.110 -15.710 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.911 15.011 -17.623 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.597 17.728 -17.989 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.651 16.701 -18.939 1.00 0.00 H new ATOM 1410 N SER A 91 -5.218 11.764 -13.183 1.00 0.00 N ATOM 1411 CA SER A 91 -4.401 10.624 -13.575 1.00 0.00 C ATOM 1412 C SER A 91 -4.977 9.302 -13.068 1.00 0.00 C ATOM 1413 O SER A 91 -5.806 9.263 -12.150 1.00 0.00 O ATOM 1414 CB SER A 91 -2.984 10.823 -13.032 1.00 0.00 C ATOM 1415 OG SER A 91 -2.287 11.726 -13.869 1.00 0.00 O ATOM 0 H SER A 91 -5.803 11.580 -12.368 1.00 0.00 H new ATOM 0 HA SER A 91 -4.387 10.569 -14.664 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.023 11.209 -12.013 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.460 9.868 -12.991 1.00 0.00 H new ATOM 0 HG SER A 91 -2.930 12.264 -14.377 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.486 8.220 -13.670 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.734 6.850 -13.260 1.00 0.00 C ATOM 1423 C HIS A 92 -3.660 6.470 -12.227 1.00 0.00 C ATOM 1424 O HIS A 92 -2.550 7.010 -12.256 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.629 5.955 -14.509 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.452 4.695 -14.487 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.064 3.470 -14.986 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.772 4.604 -14.138 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.123 2.649 -14.904 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -7.191 3.297 -14.405 1.00 0.00 N ATOM 0 H HIS A 92 -3.881 8.283 -14.489 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.722 6.728 -12.816 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.923 6.543 -15.379 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.583 5.680 -14.648 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.380 5.398 -13.730 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.118 1.610 -15.199 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.123 2.911 -14.252 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.946 5.507 -11.357 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.089 5.063 -10.261 1.00 0.00 C ATOM 1440 C TYR A 93 -3.257 3.566 -10.086 1.00 0.00 C ATOM 1441 O TYR A 93 -4.363 3.076 -10.297 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.529 5.757 -8.970 1.00 0.00 C ATOM 1443 CG TYR A 93 -3.183 7.224 -8.964 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -4.084 8.168 -9.495 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.914 7.625 -8.514 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -3.694 9.510 -9.627 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -1.528 8.967 -8.627 1.00 0.00 C ATOM 1448 CZ TYR A 93 -2.407 9.906 -9.206 1.00 0.00 C ATOM 1449 OH TYR A 93 -2.011 11.191 -9.353 1.00 0.00 O ATOM 0 H TYR A 93 -4.824 4.989 -11.398 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.049 5.305 -10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.605 5.639 -8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.054 5.270 -8.118 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.073 7.860 -9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.238 6.901 -8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.375 10.235 -10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.558 9.282 -8.271 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.792 11.781 -9.312 1.00 0.00 H new ATOM 1459 N THR A 94 -2.202 2.855 -9.686 1.00 0.00 N ATOM 1460 CA THR A 94 -2.240 1.411 -9.451 1.00 0.00 C ATOM 1461 C THR A 94 -1.710 1.121 -8.050 1.00 0.00 C ATOM 1462 O THR A 94 -0.573 1.477 -7.748 1.00 0.00 O ATOM 1463 CB THR A 94 -1.463 0.682 -10.559 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.921 1.180 -11.807 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.613 -0.849 -10.487 1.00 0.00 C ATOM 0 H THR A 94 -1.286 3.270 -9.514 1.00 0.00 H new ATOM 0 HA THR A 94 -3.263 1.036 -9.494 1.00 0.00 H new ATOM 0 HB THR A 94 -0.398 0.877 -10.431 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.380 1.954 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.043 -1.309 -11.294 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.238 -1.207 -9.528 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.665 -1.117 -10.588 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.493 0.464 -7.193 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.156 0.106 -5.810 1.00 0.00 C ATOM 1475 C LEU A 95 -2.409 -1.389 -5.594 1.00 0.00 C ATOM 1476 O LEU A 95 -3.201 -2.004 -6.312 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.872 1.003 -4.777 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.413 1.024 -4.640 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.168 0.936 -5.965 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.907 -0.127 -3.755 1.00 0.00 C ATOM 0 H LEU A 95 -3.427 0.150 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.095 0.293 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.473 0.736 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.560 2.027 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.625 1.995 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.241 0.957 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.895 1.781 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.908 0.006 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.993 -0.086 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.610 -1.078 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.469 -0.036 -2.761 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.762 -1.975 -4.589 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.001 -3.344 -4.123 1.00 0.00 C ATOM 1494 C ASN A 96 -1.807 -3.410 -2.611 1.00 0.00 C ATOM 1495 O ASN A 96 -1.249 -2.491 -2.010 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.124 -4.383 -4.850 1.00 0.00 C ATOM 1497 CG ASN A 96 0.372 -4.240 -4.595 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.940 -4.860 -3.700 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.057 -3.441 -5.397 1.00 0.00 N ATOM 0 H ASN A 96 -1.034 -1.497 -4.058 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.032 -3.604 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.438 -5.381 -4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.306 -4.306 -5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.064 -3.337 -5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.578 -2.929 -6.138 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.299 -4.483 -1.995 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.476 -4.634 -0.556 1.00 0.00 C ATOM 1508 C VAL A 97 -1.746 -5.922 -0.150 1.00 0.00 C ATOM 1509 O VAL A 97 -1.751 -6.891 -0.904 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.997 -4.673 -0.244 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.312 -4.599 1.259 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.800 -3.549 -0.928 1.00 0.00 C ATOM 0 H VAL A 97 -2.599 -5.309 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.059 -3.804 0.014 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.302 -5.639 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.392 -4.631 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.851 -5.445 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.917 -3.669 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.853 -3.642 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.426 -2.581 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.689 -3.629 -2.009 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.101 -5.963 1.016 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.219 -7.058 1.427 1.00 0.00 C ATOM 1524 C ARG A 98 -0.283 -7.169 2.941 1.00 0.00 C ATOM 1525 O ARG A 98 -0.184 -6.138 3.610 1.00 0.00 O ATOM 1526 CB ARG A 98 1.192 -6.695 0.951 1.00 0.00 C ATOM 1527 CG ARG A 98 2.297 -7.648 1.418 1.00 0.00 C ATOM 1528 CD ARG A 98 3.668 -7.113 0.988 1.00 0.00 C ATOM 1529 NE ARG A 98 4.172 -7.733 -0.243 1.00 0.00 N ATOM 1530 CZ ARG A 98 3.997 -7.385 -1.520 1.00 0.00 C ATOM 1531 NH1 ARG A 98 3.164 -6.399 -1.856 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.669 -8.034 -2.457 1.00 0.00 N ATOM 0 H ARG A 98 -1.178 -5.224 1.714 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.510 -8.018 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.195 -6.665 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.429 -5.689 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.263 -7.754 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.136 -8.640 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.600 -6.035 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.385 -7.282 1.792 1.00 0.00 H new ATOM 0 HE ARG A 98 4.748 -8.562 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.649 -5.898 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.042 -6.146 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.308 -8.786 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.548 -7.782 -3.438 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.459 -8.372 3.481 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.437 -8.592 4.921 1.00 0.00 C ATOM 1548 C VAL A 99 1.034 -8.704 5.355 1.00 0.00 C ATOM 1549 O VAL A 99 1.872 -9.264 4.639 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.324 -9.810 5.308 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.610 -9.954 4.461 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.586 -11.155 5.320 1.00 0.00 C ATOM 0 H VAL A 99 -0.620 -9.218 2.934 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.878 -7.756 5.464 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.609 -9.567 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.170 -10.827 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.225 -9.062 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.343 -10.075 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.279 -11.948 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.184 -11.358 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.230 -11.116 6.041 1.00 0.00 H new ATOM 1562 N VAL A 100 1.349 -8.200 6.545 1.00 0.00 N ATOM 1563 CA VAL A 100 2.665 -8.236 7.177 1.00 0.00 C ATOM 1564 C VAL A 100 2.431 -8.640 8.635 1.00 0.00 C ATOM 1565 O VAL A 100 1.420 -8.243 9.230 1.00 0.00 O ATOM 1566 CB VAL A 100 3.345 -6.858 7.015 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.663 -6.775 7.795 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.639 -6.539 5.537 1.00 0.00 C ATOM 0 H VAL A 100 0.655 -7.730 7.126 1.00 0.00 H new ATOM 0 HA VAL A 100 3.343 -8.956 6.719 1.00 0.00 H new ATOM 0 HB VAL A 100 2.640 -6.129 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.108 -5.790 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.469 -6.937 8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.350 -7.539 7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.117 -5.562 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.303 -7.300 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.706 -6.529 4.974 1.00 0.00 H new ATOM 1578 N ASN A 101 3.287 -9.490 9.206 1.00 0.00 N ATOM 1579 CA ASN A 101 3.052 -10.142 10.495 1.00 0.00 C ATOM 1580 C ASN A 101 4.353 -10.416 11.251 1.00 0.00 C ATOM 1581 O ASN A 101 5.426 -9.972 10.840 1.00 0.00 O ATOM 1582 CB ASN A 101 2.270 -11.451 10.283 1.00 0.00 C ATOM 1583 CG ASN A 101 3.070 -12.600 9.689 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.239 -12.492 9.331 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.418 -13.735 9.564 1.00 0.00 N ATOM 0 H ASN A 101 4.176 -9.748 8.779 1.00 0.00 H new ATOM 0 HA ASN A 101 2.464 -9.459 11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.864 -11.771 11.243 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.421 -11.246 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.883 -14.549 9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.447 -13.801 9.868 1.00 0.00 H new ATOM 1592 N GLY A 102 4.243 -11.147 12.363 1.00 0.00 N ATOM 1593 CA GLY A 102 5.307 -11.474 13.304 1.00 0.00 C ATOM 1594 C GLY A 102 6.466 -12.326 12.771 1.00 0.00 C ATOM 1595 O GLY A 102 7.255 -12.804 13.592 1.00 0.00 O ATOM 0 H GLY A 102 3.349 -11.550 12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.720 -10.541 13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.862 -11.997 14.151 1.00 0.00 H new ATOM 1599 N LYS A 103 6.599 -12.529 11.454 1.00 0.00 N ATOM 1600 CA LYS A 103 7.788 -13.106 10.837 1.00 0.00 C ATOM 1601 C LYS A 103 8.121 -12.445 9.506 1.00 0.00 C ATOM 1602 O LYS A 103 9.302 -12.339 9.174 1.00 0.00 O ATOM 1603 CB LYS A 103 7.575 -14.615 10.640 1.00 0.00 C ATOM 1604 CG LYS A 103 8.820 -15.371 10.158 1.00 0.00 C ATOM 1605 CD LYS A 103 10.014 -15.165 11.091 1.00 0.00 C ATOM 1606 CE LYS A 103 11.131 -16.167 10.806 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.211 -16.052 11.800 1.00 0.00 N ATOM 0 H LYS A 103 5.869 -12.292 10.782 1.00 0.00 H new ATOM 0 HA LYS A 103 8.633 -12.931 11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.243 -15.049 11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.771 -14.766 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.594 -16.435 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.082 -15.035 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.396 -14.151 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.689 -15.267 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.728 -17.180 10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.532 -15.995 9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.957 -16.743 11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.610 -15.092 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.830 -16.239 12.750 1.00 0.00 H new ATOM 1621 N GLY A 104 7.129 -12.046 8.714 1.00 0.00 N ATOM 1622 CA GLY A 104 7.391 -11.634 7.346 1.00 0.00 C ATOM 1623 C GLY A 104 6.176 -11.000 6.698 1.00 0.00 C ATOM 1624 O GLY A 104 5.307 -10.432 7.364 1.00 0.00 O ATOM 0 H GLY A 104 6.150 -12.001 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.219 -10.925 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.703 -12.499 6.761 1.00 0.00 H new ATOM 1628 N GLU A 105 6.138 -11.078 5.374 1.00 0.00 N ATOM 1629 CA GLU A 105 5.048 -10.618 4.538 1.00 0.00 C ATOM 1630 C GLU A 105 4.544 -11.760 3.665 1.00 0.00 C ATOM 1631 O GLU A 105 5.160 -12.827 3.568 1.00 0.00 O ATOM 1632 CB GLU A 105 5.477 -9.379 3.741 1.00 0.00 C ATOM 1633 CG GLU A 105 6.686 -9.542 2.818 1.00 0.00 C ATOM 1634 CD GLU A 105 6.427 -10.289 1.513 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.011 -9.629 0.529 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.702 -11.503 1.451 1.00 0.00 O ATOM 0 H GLU A 105 6.903 -11.483 4.834 1.00 0.00 H new ATOM 0 HA GLU A 105 4.206 -10.306 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.630 -9.052 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.694 -8.578 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.072 -8.552 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.470 -10.066 3.365 1.00 0.00 H new ATOM 1643 N GLY A 106 3.371 -11.544 3.087 1.00 0.00 N ATOM 1644 CA GLY A 106 2.640 -12.511 2.295 1.00 0.00 C ATOM 1645 C GLY A 106 2.393 -12.037 0.870 1.00 0.00 C ATOM 1646 O GLY A 106 2.894 -10.988 0.463 1.00 0.00 O ATOM 0 H GLY A 106 2.886 -10.650 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.195 -13.449 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.684 -12.719 2.775 1.00 0.00 H new ATOM 1650 N PRO A 107 1.606 -12.814 0.113 1.00 0.00 N ATOM 1651 CA PRO A 107 1.289 -12.520 -1.270 1.00 0.00 C ATOM 1652 C PRO A 107 0.515 -11.224 -1.338 1.00 0.00 C ATOM 1653 O PRO A 107 -0.410 -10.988 -0.557 1.00 0.00 O ATOM 1654 CB PRO A 107 0.471 -13.713 -1.773 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.109 -14.355 -0.509 1.00 0.00 C ATOM 1656 CD PRO A 107 0.844 -13.951 0.601 1.00 0.00 C ATOM 0 HA PRO A 107 2.174 -12.387 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.320 -13.392 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.096 -14.417 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.120 -13.998 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.167 -15.439 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.294 -13.688 1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.507 -14.777 0.860 1.00 0.00 H new ATOM 1664 N ALA A 108 0.892 -10.388 -2.290 1.00 0.00 N ATOM 1665 CA ALA A 108 0.123 -9.211 -2.604 1.00 0.00 C ATOM 1666 C ALA A 108 -1.265 -9.638 -3.077 1.00 0.00 C ATOM 1667 O ALA A 108 -1.435 -10.703 -3.682 1.00 0.00 O ATOM 1668 CB ALA A 108 0.869 -8.461 -3.691 1.00 0.00 C ATOM 0 H ALA A 108 1.731 -10.509 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.003 -8.564 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.316 -7.560 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.859 -8.185 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.969 -9.098 -4.570 1.00 0.00 H new ATOM 1674 N SER A 109 -2.252 -8.781 -2.851 1.00 0.00 N ATOM 1675 CA SER A 109 -3.584 -8.891 -3.411 1.00 0.00 C ATOM 1676 C SER A 109 -3.496 -8.887 -4.946 1.00 0.00 C ATOM 1677 O SER A 109 -2.442 -8.542 -5.504 1.00 0.00 O ATOM 1678 CB SER A 109 -4.401 -7.716 -2.849 1.00 0.00 C ATOM 1679 OG SER A 109 -3.961 -6.462 -3.349 1.00 0.00 O ATOM 0 H SER A 109 -2.139 -7.964 -2.252 1.00 0.00 H new ATOM 0 HA SER A 109 -4.077 -9.824 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.453 -7.855 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.330 -7.715 -1.761 1.00 0.00 H new ATOM 0 HG SER A 109 -4.164 -6.402 -4.306 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.610 -9.132 -5.657 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.717 -8.571 -6.990 1.00 0.00 C ATOM 1687 C PRO A 110 -4.526 -7.056 -6.846 1.00 0.00 C ATOM 1688 O PRO A 110 -4.979 -6.450 -5.864 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.097 -8.979 -7.499 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.924 -9.132 -6.221 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.900 -9.656 -5.212 1.00 0.00 C ATOM 0 HA PRO A 110 -3.974 -8.922 -7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.519 -8.223 -8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.056 -9.910 -8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.355 -8.183 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.751 -9.829 -6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.134 -9.317 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.894 -10.746 -5.189 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.795 -6.453 -7.776 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.702 -5.005 -7.864 1.00 0.00 C ATOM 1701 C ASP A 111 -5.080 -4.463 -8.233 1.00 0.00 C ATOM 1702 O ASP A 111 -5.965 -5.172 -8.738 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.595 -4.551 -8.839 1.00 0.00 C ATOM 1704 CG ASP A 111 -2.415 -5.429 -10.075 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -3.412 -5.866 -10.685 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -1.255 -5.792 -10.372 1.00 0.00 O ATOM 0 H ASP A 111 -3.255 -6.951 -8.484 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.406 -4.593 -6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.815 -3.534 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.649 -4.515 -8.298 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.279 -3.184 -7.960 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.391 -2.412 -8.470 1.00 0.00 C ATOM 1713 C ARG A 112 -5.832 -1.152 -9.057 1.00 0.00 C ATOM 1714 O ARG A 112 -4.677 -0.785 -8.829 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.393 -2.065 -7.358 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.215 -3.276 -6.942 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.224 -3.726 -7.989 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.925 -4.950 -7.578 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.627 -6.201 -7.937 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -8.483 -6.493 -8.551 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.487 -7.183 -7.695 1.00 0.00 N ATOM 0 H ARG A 112 -4.654 -2.644 -7.362 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.927 -2.995 -9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.856 -1.675 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.059 -1.274 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.540 -4.103 -6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.744 -3.044 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.950 -2.931 -8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.713 -3.900 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.723 -4.832 -6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -7.812 -5.753 -8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -8.278 -7.456 -8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.375 -6.982 -7.235 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.260 -8.139 -7.969 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.712 -0.471 -9.759 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.448 0.857 -10.251 1.00 0.00 C ATOM 1737 C VAL A 113 -7.533 1.802 -9.757 1.00 0.00 C ATOM 1738 O VAL A 113 -8.608 1.364 -9.335 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.232 0.843 -11.772 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.121 -0.134 -12.173 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.498 0.447 -12.514 1.00 0.00 C ATOM 0 H VAL A 113 -7.635 -0.829 -10.004 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.510 1.241 -9.849 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.948 1.859 -12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.996 -0.118 -13.256 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.187 0.161 -11.695 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.389 -1.141 -11.854 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.306 0.448 -13.587 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.806 -0.551 -12.202 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.291 1.159 -12.286 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.268 3.100 -9.816 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.286 4.124 -9.718 1.00 0.00 C ATOM 1753 C PHE A 114 -7.888 5.263 -10.638 1.00 0.00 C ATOM 1754 O PHE A 114 -6.710 5.583 -10.794 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.534 4.572 -8.268 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.350 5.064 -7.447 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.430 4.137 -6.920 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.242 6.423 -7.090 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.433 4.554 -6.023 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.259 6.835 -6.169 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.370 5.896 -5.625 1.00 0.00 C ATOM 0 H PHE A 114 -6.325 3.471 -9.935 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.248 3.724 -10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.276 5.370 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.982 3.734 -7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.492 3.098 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.914 7.149 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.717 3.842 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.190 7.874 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.635 6.208 -4.898 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.891 5.866 -11.257 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.789 7.167 -11.896 1.00 0.00 C ATOM 1773 C ASN A 115 -9.045 8.229 -10.834 1.00 0.00 C ATOM 1774 O ASN A 115 -9.580 7.909 -9.773 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.851 7.277 -12.993 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.269 7.144 -12.443 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.827 8.056 -11.842 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.859 5.970 -12.580 1.00 0.00 N ATOM 0 H ASN A 115 -9.821 5.453 -11.330 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.803 7.301 -12.341 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.749 8.237 -13.499 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.680 6.502 -13.740 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.786 5.816 -12.184 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.387 5.218 -13.081 1.00 0.00 H new ATOM 1785 N THR A 116 -8.737 9.482 -11.139 1.00 0.00 N ATOM 1786 CA THR A 116 -9.081 10.633 -10.311 1.00 0.00 C ATOM 1787 C THR A 116 -9.891 11.641 -11.136 1.00 0.00 C ATOM 1788 O THR A 116 -9.803 11.615 -12.369 1.00 0.00 O ATOM 1789 CB THR A 116 -7.796 11.253 -9.738 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.753 11.322 -10.692 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.286 10.472 -8.532 1.00 0.00 C ATOM 0 H THR A 116 -8.230 9.734 -11.987 1.00 0.00 H new ATOM 0 HA THR A 116 -9.703 10.322 -9.472 1.00 0.00 H new ATOM 0 HB THR A 116 -8.071 12.265 -9.439 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.451 10.416 -10.913 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.377 10.939 -8.154 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.046 10.472 -7.751 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.070 9.445 -8.828 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.647 12.554 -10.500 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.219 13.681 -11.210 1.00 0.00 C ATOM 1801 C PRO A 117 -10.085 14.605 -11.656 1.00 0.00 C ATOM 1802 O PRO A 117 -8.991 14.576 -11.091 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.159 14.355 -10.209 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.633 13.972 -8.828 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.835 12.693 -9.064 1.00 0.00 C ATOM 0 HA PRO A 117 -11.769 13.399 -12.108 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.161 15.437 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.186 14.015 -10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.006 14.759 -8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.449 13.807 -8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.873 12.742 -8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.366 11.830 -8.661 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.357 15.472 -12.628 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.416 16.466 -13.143 1.00 0.00 C ATOM 1815 C GLU A 118 -8.917 17.429 -12.052 1.00 0.00 C ATOM 1816 O GLU A 118 -7.820 17.981 -12.141 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.114 17.191 -14.294 1.00 0.00 C ATOM 1818 CG GLU A 118 -9.318 18.359 -14.882 1.00 0.00 C ATOM 1819 CD GLU A 118 -9.963 18.898 -16.166 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -11.163 18.622 -16.416 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -9.296 19.606 -16.952 1.00 0.00 O ATOM 0 H GLU A 118 -11.264 15.504 -13.093 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.511 15.976 -13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.321 16.473 -15.087 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.076 17.564 -13.942 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.250 19.160 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.300 18.034 -15.095 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.690 17.574 -10.979 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.218 18.164 -9.736 1.00 0.00 C ATOM 1830 C GLY A 119 -9.204 19.689 -9.724 1.00 0.00 C ATOM 1831 O GLY A 119 -8.645 20.260 -8.787 1.00 0.00 O ATOM 0 H GLY A 119 -10.667 17.283 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.849 17.813 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.209 17.803 -9.537 1.00 0.00 H new ATOM 1835 N SER A 120 -9.728 20.352 -10.759 1.00 0.00 N ATOM 1836 CA SER A 120 -9.633 21.800 -10.861 1.00 0.00 C ATOM 1837 C SER A 120 -10.499 22.480 -9.789 1.00 0.00 C ATOM 1838 O SER A 120 -11.446 21.893 -9.246 1.00 0.00 O ATOM 1839 CB SER A 120 -9.998 22.249 -12.281 1.00 0.00 C ATOM 1840 OG SER A 120 -9.221 23.363 -12.662 1.00 0.00 O ATOM 0 H SER A 120 -10.220 19.905 -11.533 1.00 0.00 H new ATOM 0 HA SER A 120 -8.605 22.109 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.836 21.429 -12.981 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.057 22.504 -12.327 1.00 0.00 H new ATOM 0 HG SER A 120 -9.465 23.636 -13.571 1.00 0.00 H new ATOM 1846 N GLY A 121 -10.172 23.739 -9.494 1.00 0.00 N ATOM 1847 CA GLY A 121 -10.874 24.512 -8.485 1.00 0.00 C ATOM 1848 C GLY A 121 -12.247 24.967 -8.989 1.00 0.00 C ATOM 1849 O GLY A 121 -12.439 25.117 -10.199 1.00 0.00 O ATOM 0 H GLY A 121 -9.413 24.245 -9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.996 23.912 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.278 25.382 -8.211 1.00 0.00 H new ATOM 1853 N PRO A 122 -13.207 25.235 -8.087 1.00 0.00 N ATOM 1854 CA PRO A 122 -14.439 25.926 -8.428 1.00 0.00 C ATOM 1855 C PRO A 122 -14.071 27.387 -8.703 1.00 0.00 C ATOM 1856 O PRO A 122 -14.003 28.212 -7.792 1.00 0.00 O ATOM 1857 CB PRO A 122 -15.364 25.728 -7.224 1.00 0.00 C ATOM 1858 CG PRO A 122 -14.397 25.611 -6.045 1.00 0.00 C ATOM 1859 CD PRO A 122 -13.124 25.019 -6.650 1.00 0.00 C ATOM 0 HA PRO A 122 -14.950 25.557 -9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -16.047 26.568 -7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -15.976 24.832 -7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -14.205 26.583 -5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -14.801 24.968 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -12.238 25.501 -6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -13.045 23.956 -6.422 1.00 0.00 H new ATOM 1867 N SER A 123 -13.696 27.694 -9.942 1.00 0.00 N ATOM 1868 CA SER A 123 -13.102 28.975 -10.310 1.00 0.00 C ATOM 1869 C SER A 123 -13.492 29.371 -11.740 1.00 0.00 C ATOM 1870 O SER A 123 -12.728 30.026 -12.447 1.00 0.00 O ATOM 1871 CB SER A 123 -11.583 28.904 -10.080 1.00 0.00 C ATOM 1872 OG SER A 123 -11.285 28.514 -8.740 1.00 0.00 O ATOM 0 H SER A 123 -13.798 27.052 -10.728 1.00 0.00 H new ATOM 0 HA SER A 123 -13.492 29.771 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 123 -11.139 28.193 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 123 -11.135 29.876 -10.288 1.00 0.00 H new ATOM 0 HG SER A 123 -10.313 28.475 -8.619 1.00 0.00 H new ATOM 1878 N SER A 124 -14.677 28.965 -12.193 1.00 0.00 N ATOM 1879 CA SER A 124 -15.341 29.486 -13.379 1.00 0.00 C ATOM 1880 C SER A 124 -16.844 29.407 -13.107 1.00 0.00 C ATOM 1881 O SER A 124 -17.276 28.506 -12.383 1.00 0.00 O ATOM 1882 CB SER A 124 -14.945 28.659 -14.609 1.00 0.00 C ATOM 1883 OG SER A 124 -13.535 28.658 -14.772 1.00 0.00 O ATOM 0 H SER A 124 -15.218 28.238 -11.725 1.00 0.00 H new ATOM 0 HA SER A 124 -15.050 30.516 -13.586 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.305 27.636 -14.499 1.00 0.00 H new ATOM 0 HB3 SER A 124 -15.420 29.070 -15.500 1.00 0.00 H new ATOM 0 HG SER A 124 -13.127 29.236 -14.094 1.00 0.00 H new ATOM 1889 N GLY A 125 -17.611 30.337 -13.663 1.00 0.00 N ATOM 1890 CA GLY A 125 -18.992 30.625 -13.328 1.00 0.00 C ATOM 1891 C GLY A 125 -19.161 32.132 -13.447 1.00 0.00 C ATOM 1892 O GLY A 125 -20.167 32.628 -12.907 1.00 0.00 O ATOM 0 H GLY A 125 -17.260 30.944 -14.404 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -19.671 30.104 -14.003 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -19.225 30.287 -12.318 1.00 0.00 H new TER 1896 GLY A 125