USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 86 THR OG1 : rot 152:sc= 0.278 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -169:sc= -0.505! (180deg=-1.39!) USER MOD Set 2.1: A 63 GLN : amide:sc= -0.231 K(o=-0.53,f=-7.6!) USER MOD Set 2.2: A 70 GLN : amide:sc= -1.01 K(o=-0.53,f=-5.2!) USER MOD Set 2.3: A 72 THR OG1 : rot 69:sc= 0.71 USER MOD Set 3.1: A 57 LYS NZ :NH3+ -151:sc= -0.291! (180deg=-0.553) USER MOD Set 3.2: A 58 SER OG : rot 180:sc= -1.67! USER MOD Set 4.1: A 48 ASN : amide:sc= -2.07! C(o=-4!,f=-22!) USER MOD Set 4.2: A 51 LYS NZ :NH3+ -139:sc= -1.97! (180deg=-2.86!) USER MOD Set 5.1: A 34 ASN : amide:sc= 0.304 K(o=2.3,f=-12!) USER MOD Set 5.2: A 35 LYS NZ :NH3+ -148:sc= 1.97 (180deg=-1.05!) USER MOD Set 6.1: A 28 THR OG1 : rot -77:sc= 1.02 USER MOD Set 6.2: A 75 THR OG1 : rot 180:sc=-0.00684 USER MOD Set 7.1: A 20 LYS NZ :NH3+ -138:sc= 1.01! (180deg=-2.04!) USER MOD Set 7.2: A 22 THR OG1 : rot -33:sc= 1.28 USER MOD Set 7.3: A 102 THR OG1 : rot -19:sc= 1.12 USER MOD Set 8.1: A 1 GLU N :NH3+ -155:sc= -1.27! (180deg=-4.73!) USER MOD Set 8.2: A 3 TYR OH : rot 26:sc= 1.75 USER MOD Set 8.3: A 24 LYS NZ :NH3+ -136:sc= -0.551! (180deg=-1.46!) USER MOD Single : A 2 THR OG1 : rot -125:sc= -1.34 USER MOD Single : A 4 THR OG1 : rot 96:sc= 0.709 USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= -3.06! (180deg=-6.37!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 0.648 (180deg=0.242) USER MOD Single : A 33 ASN : amide:sc= -1.28! C(o=-1.3!,f=-11!) USER MOD Single : A 40 ASN : amide:sc= -0.775 K(o=-0.78,f=-10!) USER MOD Single : A 52 SER OG : rot 126:sc= 0.713 USER MOD Single : A 60 SER OG : rot 11:sc= -0.775! USER MOD Single : A 61 HIS : no HD1:sc= 0.162 K(o=0.81,f=-10!) USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= -0.24 (180deg=-1.98!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.265 USER MOD Single : A 71 SER OG : rot 34:sc= 0.715 USER MOD Single : A 73 SER OG : rot 37:sc= 0.895 USER MOD Single : A 74 THR OG1 : rot 69:sc= 0.773 USER MOD Single : A 85 TYR OH : rot 146:sc= -0.568 USER MOD Single : A 88 TYR OH : rot 39:sc= 0.87 USER MOD Single : A 97 MET CE :methyl 150:sc= -0.24 (180deg=-0.391) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.731 -6.060 -15.272 1.00 0.00 N ATOM 2 CA GLU A 1 -4.130 -5.216 -16.333 1.00 0.00 C ATOM 3 C GLU A 1 -3.603 -3.949 -15.612 1.00 0.00 C ATOM 4 O GLU A 1 -4.181 -3.623 -14.604 1.00 0.00 O ATOM 5 CB GLU A 1 -5.238 -4.859 -17.387 1.00 0.00 C ATOM 6 CG GLU A 1 -5.816 -6.148 -18.125 1.00 0.00 C ATOM 7 CD GLU A 1 -6.293 -7.228 -17.186 1.00 0.00 C ATOM 8 OE1 GLU A 1 -5.450 -7.966 -16.739 1.00 0.00 O ATOM 9 OE2 GLU A 1 -7.462 -7.298 -16.899 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.719 -7.056 -15.572 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.183 -5.956 -14.394 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.713 -5.761 -15.105 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.321 -5.715 -16.867 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.053 -4.333 -16.889 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.823 -4.175 -18.128 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.644 -5.846 -18.767 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.043 -6.560 -18.774 1.00 0.00 H new ATOM 18 N THR A 2 -2.581 -3.253 -16.058 1.00 0.00 N ATOM 19 CA THR A 2 -2.087 -2.004 -15.328 1.00 0.00 C ATOM 20 C THR A 2 -3.202 -0.990 -14.949 1.00 0.00 C ATOM 21 O THR A 2 -3.534 -0.030 -15.610 1.00 0.00 O ATOM 22 CB THR A 2 -0.945 -1.402 -16.242 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.109 -0.680 -15.353 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.306 -0.293 -17.163 1.00 0.00 C ATOM 0 H THR A 2 -2.055 -3.486 -16.900 1.00 0.00 H new ATOM 0 HA THR A 2 -1.700 -2.266 -14.343 1.00 0.00 H new ATOM 0 HB THR A 2 -0.579 -2.255 -16.813 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.019 0.244 -15.666 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.424 0.016 -17.724 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.076 -0.632 -17.856 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.683 0.551 -16.586 1.00 0.00 H new ATOM 32 N TYR A 3 -3.785 -1.294 -13.822 1.00 0.00 N ATOM 33 CA TYR A 3 -4.893 -0.467 -13.224 1.00 0.00 C ATOM 34 C TYR A 3 -4.180 0.684 -12.464 1.00 0.00 C ATOM 35 O TYR A 3 -3.182 0.417 -11.830 1.00 0.00 O ATOM 36 CB TYR A 3 -5.712 -1.369 -12.239 1.00 0.00 C ATOM 37 CG TYR A 3 -6.207 -2.688 -12.870 1.00 0.00 C ATOM 38 CD1 TYR A 3 -7.022 -2.664 -13.980 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.859 -3.919 -12.339 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.486 -3.835 -14.552 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.325 -5.086 -12.915 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.135 -5.043 -14.019 1.00 0.00 C ATOM 43 OH TYR A 3 -7.572 -6.219 -14.579 1.00 0.00 O ATOM 0 H TYR A 3 -3.535 -2.111 -13.265 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.586 -0.072 -13.967 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.092 -1.601 -11.373 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.571 -0.806 -11.874 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.304 -1.715 -14.411 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.220 -3.967 -11.470 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.126 -3.794 -15.421 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.048 -6.040 -12.491 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.757 -6.079 -15.531 1.00 0.00 H new ATOM 53 N THR A 4 -4.669 1.896 -12.498 1.00 0.00 N ATOM 54 CA THR A 4 -3.937 3.004 -11.753 1.00 0.00 C ATOM 55 C THR A 4 -4.333 3.395 -10.321 1.00 0.00 C ATOM 56 O THR A 4 -5.420 3.840 -9.989 1.00 0.00 O ATOM 57 CB THR A 4 -3.964 4.296 -12.637 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.468 5.352 -11.831 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.345 4.833 -12.914 1.00 0.00 C ATOM 0 H THR A 4 -5.517 2.178 -12.989 1.00 0.00 H new ATOM 0 HA THR A 4 -2.959 2.549 -11.595 1.00 0.00 H new ATOM 0 HB THR A 4 -3.435 4.030 -13.552 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.513 5.479 -12.010 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.270 5.728 -13.532 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.931 4.078 -13.438 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.834 5.083 -11.972 1.00 0.00 H new ATOM 67 N VAL A 5 -3.338 3.191 -9.514 1.00 0.00 N ATOM 68 CA VAL A 5 -3.334 3.453 -8.052 1.00 0.00 C ATOM 69 C VAL A 5 -2.689 4.841 -7.957 1.00 0.00 C ATOM 70 O VAL A 5 -1.498 5.041 -8.117 1.00 0.00 O ATOM 71 CB VAL A 5 -2.478 2.376 -7.347 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.422 2.675 -5.842 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.133 1.000 -7.497 1.00 0.00 C ATOM 0 H VAL A 5 -2.447 2.819 -9.844 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.316 3.421 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.484 2.384 -7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.819 1.917 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.976 3.657 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.432 2.664 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.521 0.249 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.125 1.018 -7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.219 0.751 -8.555 1.00 0.00 H new ATOM 83 N LYS A 6 -3.527 5.792 -7.704 1.00 0.00 N ATOM 84 CA LYS A 6 -3.043 7.190 -7.587 1.00 0.00 C ATOM 85 C LYS A 6 -2.816 7.524 -6.092 1.00 0.00 C ATOM 86 O LYS A 6 -3.591 7.201 -5.210 1.00 0.00 O ATOM 87 CB LYS A 6 -4.121 8.062 -8.295 1.00 0.00 C ATOM 88 CG LYS A 6 -5.472 7.932 -7.573 1.00 0.00 C ATOM 89 CD LYS A 6 -6.645 8.303 -8.523 1.00 0.00 C ATOM 90 CE LYS A 6 -6.863 7.296 -9.683 1.00 0.00 C ATOM 91 NZ LYS A 6 -7.130 5.956 -9.112 1.00 0.00 N ATOM 0 H LYS A 6 -4.531 5.666 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.080 7.374 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.805 9.105 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.225 7.751 -9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.600 6.911 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.486 8.583 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.563 8.373 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.459 9.291 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.699 7.614 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.982 7.264 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.697 5.229 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.724 5.899 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.157 5.798 -9.062 1.00 0.00 H new ATOM 105 N LEU A 7 -1.714 8.183 -5.908 1.00 0.00 N ATOM 106 CA LEU A 7 -1.224 8.632 -4.571 1.00 0.00 C ATOM 107 C LEU A 7 -1.803 10.026 -4.287 1.00 0.00 C ATOM 108 O LEU A 7 -1.181 11.060 -4.459 1.00 0.00 O ATOM 109 CB LEU A 7 0.329 8.605 -4.656 1.00 0.00 C ATOM 110 CG LEU A 7 0.839 7.178 -4.983 1.00 0.00 C ATOM 111 CD1 LEU A 7 0.778 6.805 -6.468 1.00 0.00 C ATOM 112 CD2 LEU A 7 2.284 7.078 -4.595 1.00 0.00 C ATOM 0 H LEU A 7 -1.094 8.446 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.541 7.995 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.668 9.301 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.755 8.940 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 7 0.183 6.505 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.154 5.791 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.254 6.859 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.391 7.499 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.653 6.078 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.863 7.813 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.388 7.271 -3.527 1.00 0.00 H new ATOM 124 N GLY A 8 -3.024 9.956 -3.853 1.00 0.00 N ATOM 125 CA GLY A 8 -3.885 11.140 -3.495 1.00 0.00 C ATOM 126 C GLY A 8 -5.163 11.057 -4.360 1.00 0.00 C ATOM 127 O GLY A 8 -5.153 10.388 -5.373 1.00 0.00 O ATOM 0 H GLY A 8 -3.503 9.065 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.137 11.125 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.353 12.073 -3.683 1.00 0.00 H new ATOM 131 N SER A 9 -6.220 11.723 -3.990 1.00 0.00 N ATOM 132 CA SER A 9 -7.488 11.642 -4.824 1.00 0.00 C ATOM 133 C SER A 9 -8.053 12.869 -5.557 1.00 0.00 C ATOM 134 O SER A 9 -7.898 12.941 -6.757 1.00 0.00 O ATOM 135 CB SER A 9 -8.616 11.071 -3.925 1.00 0.00 C ATOM 136 OG SER A 9 -8.047 9.859 -3.430 1.00 0.00 O ATOM 0 H SER A 9 -6.278 12.316 -3.162 1.00 0.00 H new ATOM 0 HA SER A 9 -7.155 11.023 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.874 11.756 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.529 10.887 -4.491 1.00 0.00 H new ATOM 0 HG SER A 9 -8.690 9.413 -2.839 1.00 0.00 H new ATOM 142 N ASP A 10 -8.661 13.810 -4.889 1.00 0.00 N ATOM 143 CA ASP A 10 -9.229 15.002 -5.616 1.00 0.00 C ATOM 144 C ASP A 10 -8.425 16.346 -5.649 1.00 0.00 C ATOM 145 O ASP A 10 -7.642 16.593 -6.541 1.00 0.00 O ATOM 146 CB ASP A 10 -10.636 15.108 -4.960 1.00 0.00 C ATOM 147 CG ASP A 10 -10.613 15.438 -3.478 1.00 0.00 C ATOM 148 OD1 ASP A 10 -9.557 15.526 -2.882 1.00 0.00 O ATOM 149 OD2 ASP A 10 -11.706 15.615 -3.005 1.00 0.00 O ATOM 0 H ASP A 10 -8.793 13.814 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.212 14.837 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.210 15.874 -5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.162 14.164 -5.102 1.00 0.00 H new ATOM 154 N LYS A 11 -8.614 17.194 -4.687 1.00 0.00 N ATOM 155 CA LYS A 11 -7.920 18.511 -4.574 1.00 0.00 C ATOM 156 C LYS A 11 -6.855 18.391 -3.455 1.00 0.00 C ATOM 157 O LYS A 11 -5.761 18.900 -3.566 1.00 0.00 O ATOM 158 CB LYS A 11 -8.941 19.634 -4.196 1.00 0.00 C ATOM 159 CG LYS A 11 -10.165 19.702 -5.172 1.00 0.00 C ATOM 160 CD LYS A 11 -11.263 18.652 -4.798 1.00 0.00 C ATOM 161 CE LYS A 11 -11.895 18.951 -3.447 1.00 0.00 C ATOM 162 NZ LYS A 11 -12.789 17.808 -3.111 1.00 0.00 N ATOM 0 H LYS A 11 -9.265 17.018 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.458 18.770 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.301 19.463 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.430 20.597 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.595 20.703 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.826 19.526 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.036 18.645 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.822 17.655 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.127 19.075 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.460 19.882 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.425 18.081 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.353 17.551 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.214 16.992 -2.817 1.00 0.00 H new ATOM 176 N GLY A 12 -7.218 17.683 -2.416 1.00 0.00 N ATOM 177 CA GLY A 12 -6.293 17.483 -1.220 1.00 0.00 C ATOM 178 C GLY A 12 -6.009 16.038 -0.817 1.00 0.00 C ATOM 179 O GLY A 12 -4.871 15.631 -0.760 1.00 0.00 O ATOM 0 H GLY A 12 -8.124 17.223 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.343 17.970 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.726 17.998 -0.363 1.00 0.00 H new ATOM 183 N LEU A 13 -7.050 15.310 -0.546 1.00 0.00 N ATOM 184 CA LEU A 13 -6.973 13.859 -0.131 1.00 0.00 C ATOM 185 C LEU A 13 -5.669 13.069 -0.487 1.00 0.00 C ATOM 186 O LEU A 13 -5.413 12.821 -1.647 1.00 0.00 O ATOM 187 CB LEU A 13 -8.236 13.191 -0.755 1.00 0.00 C ATOM 188 CG LEU A 13 -9.515 13.408 0.092 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.757 14.886 0.431 1.00 0.00 C ATOM 190 CD2 LEU A 13 -10.701 12.974 -0.772 1.00 0.00 C ATOM 0 H LEU A 13 -8.004 15.668 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.939 13.826 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.396 13.593 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.057 12.122 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.403 12.847 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.666 14.979 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.911 15.272 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.866 15.458 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.627 13.110 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.732 13.579 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.590 11.923 -1.041 1.00 0.00 H new ATOM 202 N LEU A 14 -4.887 12.690 0.486 1.00 0.00 N ATOM 203 CA LEU A 14 -3.607 11.921 0.243 1.00 0.00 C ATOM 204 C LEU A 14 -3.700 10.387 0.494 1.00 0.00 C ATOM 205 O LEU A 14 -2.959 9.816 1.265 1.00 0.00 O ATOM 206 CB LEU A 14 -2.539 12.580 1.156 1.00 0.00 C ATOM 207 CG LEU A 14 -2.143 13.922 0.556 1.00 0.00 C ATOM 208 CD1 LEU A 14 -1.399 14.720 1.620 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.110 13.636 -0.544 1.00 0.00 C ATOM 0 H LEU A 14 -5.077 12.881 1.470 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.354 11.982 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.936 12.718 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.666 11.933 1.244 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.022 14.453 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.105 15.687 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.049 14.873 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.509 14.172 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.798 14.574 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.243 13.139 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.555 12.992 -1.302 1.00 0.00 H new ATOM 221 N VAL A 15 -4.612 9.746 -0.179 1.00 0.00 N ATOM 222 CA VAL A 15 -4.796 8.255 -0.015 1.00 0.00 C ATOM 223 C VAL A 15 -4.424 7.396 -1.256 1.00 0.00 C ATOM 224 O VAL A 15 -3.906 7.879 -2.244 1.00 0.00 O ATOM 225 CB VAL A 15 -6.288 8.015 0.376 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.627 8.794 1.656 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.222 8.513 -0.744 1.00 0.00 C ATOM 0 H VAL A 15 -5.249 10.184 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.098 7.926 0.755 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.428 6.945 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.670 8.621 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.984 8.456 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.468 9.859 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.259 8.339 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.063 9.580 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.005 7.973 -1.666 1.00 0.00 H new ATOM 237 N PHE A 16 -4.717 6.131 -1.144 1.00 0.00 N ATOM 238 CA PHE A 16 -4.447 5.123 -2.228 1.00 0.00 C ATOM 239 C PHE A 16 -5.748 4.769 -2.995 1.00 0.00 C ATOM 240 O PHE A 16 -6.567 3.996 -2.531 1.00 0.00 O ATOM 241 CB PHE A 16 -3.845 3.847 -1.572 1.00 0.00 C ATOM 242 CG PHE A 16 -2.347 3.734 -1.856 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.451 4.621 -1.309 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.882 2.728 -2.670 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.100 4.505 -1.571 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.535 2.605 -2.937 1.00 0.00 C ATOM 247 CZ PHE A 16 0.358 3.495 -2.385 1.00 0.00 C ATOM 0 H PHE A 16 -5.151 5.731 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.745 5.544 -2.948 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.013 3.875 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.358 2.963 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.806 5.415 -0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.579 2.027 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.597 5.207 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.181 1.811 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.414 3.401 -2.590 1.00 0.00 H new ATOM 257 N GLU A 17 -5.913 5.352 -4.145 1.00 0.00 N ATOM 258 CA GLU A 17 -7.142 5.070 -4.967 1.00 0.00 C ATOM 259 C GLU A 17 -6.744 4.279 -6.254 1.00 0.00 C ATOM 260 O GLU A 17 -6.093 4.827 -7.125 1.00 0.00 O ATOM 261 CB GLU A 17 -7.787 6.470 -5.244 1.00 0.00 C ATOM 262 CG GLU A 17 -9.224 6.374 -5.928 1.00 0.00 C ATOM 263 CD GLU A 17 -9.220 6.005 -7.394 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.018 4.857 -7.710 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.401 6.892 -8.197 1.00 0.00 O ATOM 0 H GLU A 17 -5.257 6.013 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.871 4.434 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.875 7.015 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.123 7.048 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.817 5.637 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.727 7.334 -5.814 1.00 0.00 H new ATOM 272 N PRO A 18 -7.106 3.017 -6.364 1.00 0.00 N ATOM 273 CA PRO A 18 -7.626 2.137 -5.259 1.00 0.00 C ATOM 274 C PRO A 18 -6.584 1.684 -4.179 1.00 0.00 C ATOM 275 O PRO A 18 -5.391 1.876 -4.297 1.00 0.00 O ATOM 276 CB PRO A 18 -8.243 0.976 -6.048 1.00 0.00 C ATOM 277 CG PRO A 18 -7.232 0.838 -7.218 1.00 0.00 C ATOM 278 CD PRO A 18 -7.048 2.300 -7.664 1.00 0.00 C ATOM 0 HA PRO A 18 -8.326 2.669 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.312 0.065 -5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.249 1.205 -6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.293 0.390 -6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.622 0.213 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.099 2.456 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.835 2.623 -8.346 1.00 0.00 H new ATOM 286 N ALA A 19 -7.099 1.073 -3.145 1.00 0.00 N ATOM 287 CA ALA A 19 -6.276 0.564 -2.004 1.00 0.00 C ATOM 288 C ALA A 19 -6.150 -0.992 -1.928 1.00 0.00 C ATOM 289 O ALA A 19 -5.074 -1.524 -1.763 1.00 0.00 O ATOM 290 CB ALA A 19 -6.925 1.168 -0.736 1.00 0.00 C ATOM 0 H ALA A 19 -8.098 0.898 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.238 0.873 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.375 0.839 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.897 2.256 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.960 0.835 -0.663 1.00 0.00 H new ATOM 296 N LYS A 20 -7.248 -1.685 -2.048 1.00 0.00 N ATOM 297 CA LYS A 20 -7.284 -3.196 -1.998 1.00 0.00 C ATOM 298 C LYS A 20 -7.557 -3.721 -3.441 1.00 0.00 C ATOM 299 O LYS A 20 -8.662 -3.696 -3.943 1.00 0.00 O ATOM 300 CB LYS A 20 -8.396 -3.516 -0.911 1.00 0.00 C ATOM 301 CG LYS A 20 -9.409 -4.678 -1.208 1.00 0.00 C ATOM 302 CD LYS A 20 -8.802 -6.120 -1.147 1.00 0.00 C ATOM 303 CE LYS A 20 -7.936 -6.452 -2.341 1.00 0.00 C ATOM 304 NZ LYS A 20 -7.724 -7.907 -2.306 1.00 0.00 N ATOM 0 H LYS A 20 -8.164 -1.258 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.362 -3.695 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.889 -3.747 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.972 -2.606 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.229 -4.615 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.837 -4.522 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.210 -6.220 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.612 -6.846 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.422 -6.152 -3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.986 -5.919 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.732 -8.119 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.943 -8.267 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.347 -8.365 -3.002 1.00 0.00 H new ATOM 318 N LEU A 21 -6.520 -4.199 -4.074 1.00 0.00 N ATOM 319 CA LEU A 21 -6.601 -4.733 -5.483 1.00 0.00 C ATOM 320 C LEU A 21 -6.360 -6.248 -5.750 1.00 0.00 C ATOM 321 O LEU A 21 -5.258 -6.737 -5.608 1.00 0.00 O ATOM 322 CB LEU A 21 -5.581 -3.944 -6.319 1.00 0.00 C ATOM 323 CG LEU A 21 -5.834 -3.992 -7.878 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.468 -3.886 -8.546 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.530 -5.266 -8.432 1.00 0.00 C ATOM 0 H LEU A 21 -5.586 -4.247 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.651 -4.606 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.591 -2.904 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.584 -4.333 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.523 -3.176 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.589 -3.915 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.994 -2.947 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.842 -4.720 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.646 -5.177 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.922 -6.141 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.511 -5.375 -7.969 1.00 0.00 H new ATOM 337 N THR A 22 -7.357 -6.988 -6.136 1.00 0.00 N ATOM 338 CA THR A 22 -7.109 -8.454 -6.419 1.00 0.00 C ATOM 339 C THR A 22 -6.895 -8.428 -7.930 1.00 0.00 C ATOM 340 O THR A 22 -7.784 -8.098 -8.690 1.00 0.00 O ATOM 341 CB THR A 22 -8.328 -9.318 -6.083 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.291 -9.337 -4.662 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.107 -10.802 -6.402 1.00 0.00 C ATOM 0 H THR A 22 -8.316 -6.666 -6.270 1.00 0.00 H new ATOM 0 HA THR A 22 -6.290 -8.875 -5.836 1.00 0.00 H new ATOM 0 HB THR A 22 -9.207 -8.939 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.359 -9.312 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.003 -11.367 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.898 -10.918 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.263 -11.177 -5.823 1.00 0.00 H new ATOM 351 N ILE A 23 -5.706 -8.770 -8.318 1.00 0.00 N ATOM 352 CA ILE A 23 -5.304 -8.788 -9.751 1.00 0.00 C ATOM 353 C ILE A 23 -5.349 -10.210 -10.271 1.00 0.00 C ATOM 354 O ILE A 23 -6.182 -10.990 -9.861 1.00 0.00 O ATOM 355 CB ILE A 23 -3.862 -8.202 -9.868 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.909 -9.005 -8.978 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.861 -6.773 -9.423 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.527 -9.023 -9.629 1.00 0.00 C ATOM 0 H ILE A 23 -4.964 -9.050 -7.676 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.988 -8.184 -10.348 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.535 -8.262 -10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.853 -8.558 -7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.279 -10.022 -8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.853 -6.367 -9.506 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.538 -6.195 -10.053 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.192 -6.715 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.838 -9.592 -9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.594 -9.488 -10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.161 -8.002 -9.735 1.00 0.00 H new ATOM 370 N LYS A 24 -4.460 -10.493 -11.173 1.00 0.00 N ATOM 371 CA LYS A 24 -4.388 -11.855 -11.755 1.00 0.00 C ATOM 372 C LYS A 24 -3.085 -12.563 -11.234 1.00 0.00 C ATOM 373 O LYS A 24 -2.251 -11.924 -10.614 1.00 0.00 O ATOM 374 CB LYS A 24 -4.388 -11.714 -13.318 1.00 0.00 C ATOM 375 CG LYS A 24 -5.805 -11.564 -13.932 1.00 0.00 C ATOM 376 CD LYS A 24 -6.630 -10.489 -13.160 1.00 0.00 C ATOM 377 CE LYS A 24 -7.662 -9.851 -14.057 1.00 0.00 C ATOM 378 NZ LYS A 24 -6.890 -8.917 -14.905 1.00 0.00 N ATOM 0 H LYS A 24 -3.773 -9.832 -11.536 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.241 -12.465 -11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.788 -10.847 -13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.904 -12.589 -13.753 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.724 -11.282 -14.982 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.325 -12.522 -13.898 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.122 -10.950 -12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.960 -9.723 -12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.180 -10.597 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.421 -9.326 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.396 -8.011 -14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.953 -8.759 -14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.778 -9.323 -15.856 1.00 0.00 H new ATOM 392 N PRO A 25 -2.907 -13.845 -11.476 1.00 0.00 N ATOM 393 CA PRO A 25 -1.580 -14.525 -11.276 1.00 0.00 C ATOM 394 C PRO A 25 -0.435 -13.961 -12.182 1.00 0.00 C ATOM 395 O PRO A 25 0.098 -14.662 -13.018 1.00 0.00 O ATOM 396 CB PRO A 25 -1.932 -16.005 -11.534 1.00 0.00 C ATOM 397 CG PRO A 25 -3.063 -15.875 -12.594 1.00 0.00 C ATOM 398 CD PRO A 25 -3.949 -14.791 -11.971 1.00 0.00 C ATOM 0 HA PRO A 25 -1.154 -14.360 -10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.079 -16.570 -11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.273 -16.509 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.678 -15.578 -13.569 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.601 -16.812 -12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.616 -14.330 -12.700 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.575 -15.178 -11.167 1.00 0.00 H new ATOM 406 N GLY A 26 -0.076 -12.712 -12.005 1.00 0.00 N ATOM 407 CA GLY A 26 1.028 -12.086 -12.849 1.00 0.00 C ATOM 408 C GLY A 26 0.468 -10.999 -13.755 1.00 0.00 C ATOM 409 O GLY A 26 0.558 -11.047 -14.963 1.00 0.00 O ATOM 0 H GLY A 26 -0.492 -12.087 -11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.794 -11.664 -12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.511 -12.855 -13.452 1.00 0.00 H new ATOM 413 N ASP A 27 -0.098 -10.037 -13.097 1.00 0.00 N ATOM 414 CA ASP A 27 -0.726 -8.863 -13.771 1.00 0.00 C ATOM 415 C ASP A 27 0.202 -7.593 -13.738 1.00 0.00 C ATOM 416 O ASP A 27 1.309 -7.571 -13.220 1.00 0.00 O ATOM 417 CB ASP A 27 -2.084 -8.727 -12.992 1.00 0.00 C ATOM 418 CG ASP A 27 -3.156 -7.896 -13.634 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.882 -6.743 -13.842 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.229 -8.396 -13.903 1.00 0.00 O ATOM 0 H ASP A 27 -0.156 -10.010 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.888 -8.981 -14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.483 -9.728 -12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.871 -8.305 -12.010 1.00 0.00 H new ATOM 425 N THR A 28 -0.321 -6.567 -14.329 1.00 0.00 N ATOM 426 CA THR A 28 0.333 -5.238 -14.432 1.00 0.00 C ATOM 427 C THR A 28 -0.466 -4.215 -13.628 1.00 0.00 C ATOM 428 O THR A 28 -1.675 -4.184 -13.645 1.00 0.00 O ATOM 429 CB THR A 28 0.389 -4.745 -15.878 1.00 0.00 C ATOM 430 OG1 THR A 28 1.026 -5.757 -16.623 1.00 0.00 O ATOM 431 CG2 THR A 28 1.433 -3.657 -16.056 1.00 0.00 C ATOM 0 H THR A 28 -1.238 -6.598 -14.775 1.00 0.00 H new ATOM 0 HA THR A 28 1.348 -5.345 -14.049 1.00 0.00 H new ATOM 0 HB THR A 28 -0.623 -4.448 -16.153 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.993 -5.718 -16.468 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.445 -3.331 -17.096 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.190 -2.811 -15.413 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.415 -4.047 -15.787 1.00 0.00 H new ATOM 439 N VAL A 29 0.234 -3.397 -12.919 1.00 0.00 N ATOM 440 CA VAL A 29 -0.334 -2.312 -12.063 1.00 0.00 C ATOM 441 C VAL A 29 0.247 -0.923 -12.399 1.00 0.00 C ATOM 442 O VAL A 29 1.395 -0.848 -12.789 1.00 0.00 O ATOM 443 CB VAL A 29 -0.040 -2.658 -10.581 1.00 0.00 C ATOM 444 CG1 VAL A 29 -0.584 -1.548 -9.651 1.00 0.00 C ATOM 445 CG2 VAL A 29 -0.816 -3.927 -10.202 1.00 0.00 C ATOM 0 H VAL A 29 1.253 -3.433 -12.891 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.406 -2.257 -12.250 1.00 0.00 H new ATOM 0 HB VAL A 29 1.038 -2.775 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.370 -1.805 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.104 -0.600 -9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.662 -1.455 -9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.616 -4.179 -9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.884 -3.754 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.500 -4.751 -10.842 1.00 0.00 H new ATOM 455 N GLU A 30 -0.496 0.126 -12.268 1.00 0.00 N ATOM 456 CA GLU A 30 0.022 1.486 -12.570 1.00 0.00 C ATOM 457 C GLU A 30 0.056 2.368 -11.288 1.00 0.00 C ATOM 458 O GLU A 30 -0.897 2.405 -10.537 1.00 0.00 O ATOM 459 CB GLU A 30 -0.913 2.020 -13.686 1.00 0.00 C ATOM 460 CG GLU A 30 -0.304 3.285 -14.381 1.00 0.00 C ATOM 461 CD GLU A 30 0.054 4.385 -13.410 1.00 0.00 C ATOM 462 OE1 GLU A 30 -0.875 4.978 -12.909 1.00 0.00 O ATOM 463 OE2 GLU A 30 1.244 4.549 -13.231 1.00 0.00 O ATOM 0 H GLU A 30 -1.467 0.103 -11.956 1.00 0.00 H new ATOM 0 HA GLU A 30 1.057 1.490 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.080 1.239 -14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.885 2.269 -13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.589 2.993 -14.934 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.018 3.670 -15.109 1.00 0.00 H new ATOM 470 N PHE A 31 1.150 3.039 -11.066 1.00 0.00 N ATOM 471 CA PHE A 31 1.311 3.928 -9.865 1.00 0.00 C ATOM 472 C PHE A 31 1.448 5.418 -10.286 1.00 0.00 C ATOM 473 O PHE A 31 2.488 5.803 -10.794 1.00 0.00 O ATOM 474 CB PHE A 31 2.571 3.439 -9.090 1.00 0.00 C ATOM 475 CG PHE A 31 2.437 1.949 -8.734 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.701 0.979 -9.680 1.00 0.00 C ATOM 477 CD2 PHE A 31 2.050 1.557 -7.470 1.00 0.00 C ATOM 478 CE1 PHE A 31 2.577 -0.359 -9.372 1.00 0.00 C ATOM 479 CE2 PHE A 31 1.923 0.218 -7.155 1.00 0.00 C ATOM 480 CZ PHE A 31 2.188 -0.741 -8.107 1.00 0.00 C ATOM 0 H PHE A 31 1.965 3.012 -11.679 1.00 0.00 H new ATOM 0 HA PHE A 31 0.430 3.869 -9.226 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.463 3.596 -9.697 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.697 4.027 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.008 1.272 -10.673 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.844 2.305 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.785 -1.108 -10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.616 -0.077 -6.162 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.091 -1.789 -7.863 1.00 0.00 H new ATOM 490 N LEU A 32 0.425 6.200 -10.064 1.00 0.00 N ATOM 491 CA LEU A 32 0.437 7.654 -10.433 1.00 0.00 C ATOM 492 C LEU A 32 0.449 8.651 -9.245 1.00 0.00 C ATOM 493 O LEU A 32 -0.386 8.633 -8.360 1.00 0.00 O ATOM 494 CB LEU A 32 -0.805 7.871 -11.358 1.00 0.00 C ATOM 495 CG LEU A 32 -0.857 9.283 -11.998 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.826 9.209 -13.183 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.508 10.289 -11.048 1.00 0.00 C ATOM 0 H LEU A 32 -0.443 5.886 -9.631 1.00 0.00 H new ATOM 0 HA LEU A 32 1.380 7.877 -10.932 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.795 7.122 -12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.714 7.709 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 32 0.159 9.581 -12.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.891 10.186 -13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.464 8.475 -13.903 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.813 8.913 -12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.533 11.271 -11.520 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.525 9.970 -10.821 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.931 10.344 -10.125 1.00 0.00 H new ATOM 509 N ASN A 33 1.403 9.536 -9.211 1.00 0.00 N ATOM 510 CA ASN A 33 1.440 10.524 -8.070 1.00 0.00 C ATOM 511 C ASN A 33 0.260 11.554 -8.164 1.00 0.00 C ATOM 512 O ASN A 33 0.106 12.214 -9.169 1.00 0.00 O ATOM 513 CB ASN A 33 2.830 11.233 -8.120 1.00 0.00 C ATOM 514 CG ASN A 33 2.832 12.413 -9.040 1.00 0.00 C ATOM 515 OD1 ASN A 33 2.572 12.322 -10.208 1.00 0.00 O ATOM 516 ND2 ASN A 33 3.120 13.576 -8.589 1.00 0.00 N ATOM 0 H ASN A 33 2.149 9.628 -9.901 1.00 0.00 H new ATOM 0 HA ASN A 33 1.312 10.011 -7.117 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.107 11.557 -7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.588 10.520 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.122 14.380 -9.216 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.347 13.698 -7.602 1.00 0.00 H new ATOM 523 N ASN A 34 -0.555 11.692 -7.152 1.00 0.00 N ATOM 524 CA ASN A 34 -1.683 12.699 -7.273 1.00 0.00 C ATOM 525 C ASN A 34 -1.428 13.989 -6.434 1.00 0.00 C ATOM 526 O ASN A 34 -1.586 15.095 -6.911 1.00 0.00 O ATOM 527 CB ASN A 34 -2.985 11.955 -6.827 1.00 0.00 C ATOM 528 CG ASN A 34 -4.263 12.750 -7.059 1.00 0.00 C ATOM 529 OD1 ASN A 34 -4.336 13.954 -6.966 1.00 0.00 O ATOM 530 ND2 ASN A 34 -5.352 12.146 -7.354 1.00 0.00 N ATOM 0 H ASN A 34 -0.505 11.178 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.768 13.054 -8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.054 11.010 -7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.908 11.712 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.209 12.680 -7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.362 11.130 -7.448 1.00 0.00 H new ATOM 537 N LYS A 35 -1.045 13.827 -5.194 1.00 0.00 N ATOM 538 CA LYS A 35 -0.778 15.027 -4.306 1.00 0.00 C ATOM 539 C LYS A 35 0.560 15.018 -3.520 1.00 0.00 C ATOM 540 O LYS A 35 1.407 14.200 -3.803 1.00 0.00 O ATOM 541 CB LYS A 35 -2.036 15.121 -3.383 1.00 0.00 C ATOM 542 CG LYS A 35 -3.215 15.166 -4.344 1.00 0.00 C ATOM 543 CD LYS A 35 -4.520 15.548 -3.665 1.00 0.00 C ATOM 544 CE LYS A 35 -5.615 15.414 -4.695 1.00 0.00 C ATOM 545 NZ LYS A 35 -5.206 16.248 -5.866 1.00 0.00 N ATOM 0 H LYS A 35 -0.902 12.921 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.635 15.915 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.102 14.263 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.002 16.012 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.002 15.881 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.329 14.190 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.714 14.899 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.472 16.569 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.745 14.372 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.569 15.754 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.053 16.635 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.601 17.029 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.679 15.661 -6.544 1.00 0.00 H new ATOM 559 N VAL A 36 0.698 15.923 -2.584 1.00 0.00 N ATOM 560 CA VAL A 36 1.932 16.079 -1.706 1.00 0.00 C ATOM 561 C VAL A 36 3.094 15.031 -1.854 1.00 0.00 C ATOM 562 O VAL A 36 2.952 13.889 -1.457 1.00 0.00 O ATOM 563 CB VAL A 36 1.448 16.119 -0.220 1.00 0.00 C ATOM 564 CG1 VAL A 36 2.643 16.308 0.736 1.00 0.00 C ATOM 565 CG2 VAL A 36 0.530 17.339 0.000 1.00 0.00 C ATOM 0 H VAL A 36 -0.030 16.605 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 36 2.403 16.999 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 36 0.931 15.180 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.285 16.333 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.341 15.479 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.149 17.245 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.196 17.361 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.080 18.253 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.336 17.266 -0.658 1.00 0.00 H new ATOM 575 N PRO A 37 4.210 15.447 -2.418 1.00 0.00 N ATOM 576 CA PRO A 37 5.362 14.534 -2.703 1.00 0.00 C ATOM 577 C PRO A 37 6.338 14.269 -1.499 1.00 0.00 C ATOM 578 O PRO A 37 6.146 14.749 -0.396 1.00 0.00 O ATOM 579 CB PRO A 37 6.001 15.239 -3.897 1.00 0.00 C ATOM 580 CG PRO A 37 5.922 16.716 -3.442 1.00 0.00 C ATOM 581 CD PRO A 37 4.496 16.843 -2.870 1.00 0.00 C ATOM 0 HA PRO A 37 5.055 13.507 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.027 14.914 -4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.453 15.062 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.677 16.945 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.083 17.401 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.450 17.555 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.784 17.181 -3.623 1.00 0.00 H new ATOM 589 N PRO A 38 7.369 13.486 -1.735 1.00 0.00 N ATOM 590 CA PRO A 38 7.506 12.523 -2.877 1.00 0.00 C ATOM 591 C PRO A 38 7.032 11.109 -2.436 1.00 0.00 C ATOM 592 O PRO A 38 7.103 10.753 -1.276 1.00 0.00 O ATOM 593 CB PRO A 38 8.988 12.668 -3.188 1.00 0.00 C ATOM 594 CG PRO A 38 9.609 12.699 -1.751 1.00 0.00 C ATOM 595 CD PRO A 38 8.582 13.487 -0.873 1.00 0.00 C ATOM 0 HA PRO A 38 6.897 12.704 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.366 11.834 -3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.202 13.579 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.762 11.690 -1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.582 13.190 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.403 12.996 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.925 14.498 -0.653 1.00 0.00 H new ATOM 603 N HIS A 39 6.564 10.309 -3.349 1.00 0.00 N ATOM 604 CA HIS A 39 6.088 8.931 -2.946 1.00 0.00 C ATOM 605 C HIS A 39 6.892 7.684 -3.456 1.00 0.00 C ATOM 606 O HIS A 39 6.958 7.434 -4.643 1.00 0.00 O ATOM 607 CB HIS A 39 4.614 8.787 -3.413 1.00 0.00 C ATOM 608 CG HIS A 39 3.669 9.971 -3.104 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.966 10.143 -1.986 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.415 11.021 -3.967 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.311 11.267 -2.179 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.579 11.761 -3.325 1.00 0.00 N ATOM 0 H HIS A 39 6.485 10.530 -4.342 1.00 0.00 H new ATOM 0 HA HIS A 39 6.236 8.903 -1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.613 8.623 -4.491 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.198 7.890 -2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.824 11.183 -4.953 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.636 11.713 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.183 12.629 -3.685 1.00 0.00 H new ATOM 620 N ASN A 40 7.498 6.938 -2.571 1.00 0.00 N ATOM 621 CA ASN A 40 8.278 5.704 -2.968 1.00 0.00 C ATOM 622 C ASN A 40 7.483 4.507 -2.409 1.00 0.00 C ATOM 623 O ASN A 40 7.066 4.620 -1.275 1.00 0.00 O ATOM 624 CB ASN A 40 9.665 5.679 -2.309 1.00 0.00 C ATOM 625 CG ASN A 40 10.723 6.386 -3.096 1.00 0.00 C ATOM 626 OD1 ASN A 40 10.774 6.358 -4.301 1.00 0.00 O ATOM 627 ND2 ASN A 40 11.628 7.040 -2.471 1.00 0.00 N ATOM 0 H ASN A 40 7.491 7.127 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 40 8.409 5.680 -4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.595 6.135 -1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.968 4.642 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.363 7.518 -2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.614 7.084 -1.452 1.00 0.00 H new ATOM 634 N VAL A 41 7.275 3.430 -3.113 1.00 0.00 N ATOM 635 CA VAL A 41 6.491 2.326 -2.466 1.00 0.00 C ATOM 636 C VAL A 41 7.342 1.095 -2.184 1.00 0.00 C ATOM 637 O VAL A 41 7.855 0.426 -3.062 1.00 0.00 O ATOM 638 CB VAL A 41 5.282 1.890 -3.349 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.276 3.043 -3.433 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.687 1.549 -4.795 1.00 0.00 C ATOM 0 H VAL A 41 7.595 3.263 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 41 6.135 2.736 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 41 4.863 1.000 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.429 2.743 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.925 3.294 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.757 3.914 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.803 1.253 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.140 2.424 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.405 0.729 -4.788 1.00 0.00 H new ATOM 650 N VAL A 42 7.461 0.826 -0.925 1.00 0.00 N ATOM 651 CA VAL A 42 8.263 -0.353 -0.478 1.00 0.00 C ATOM 652 C VAL A 42 7.213 -1.424 -0.083 1.00 0.00 C ATOM 653 O VAL A 42 6.144 -1.090 0.392 1.00 0.00 O ATOM 654 CB VAL A 42 9.134 0.142 0.680 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.028 -0.994 1.177 1.00 0.00 C ATOM 656 CG2 VAL A 42 10.077 1.231 0.143 1.00 0.00 C ATOM 0 H VAL A 42 7.038 1.370 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 42 8.933 -0.791 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 42 8.490 0.509 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.646 -0.637 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.407 -1.821 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.669 -1.335 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.707 1.598 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.704 0.813 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.489 2.055 -0.261 1.00 0.00 H new ATOM 666 N PHE A 43 7.514 -2.678 -0.289 1.00 0.00 N ATOM 667 CA PHE A 43 6.514 -3.753 0.072 1.00 0.00 C ATOM 668 C PHE A 43 6.699 -4.407 1.446 1.00 0.00 C ATOM 669 O PHE A 43 7.694 -4.234 2.119 1.00 0.00 O ATOM 670 CB PHE A 43 6.525 -4.943 -0.950 1.00 0.00 C ATOM 671 CG PHE A 43 5.711 -4.750 -2.245 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.400 -3.520 -2.784 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.289 -5.880 -2.910 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.687 -3.423 -3.964 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.577 -5.792 -4.087 1.00 0.00 C ATOM 676 CZ PHE A 43 4.276 -4.561 -4.616 1.00 0.00 C ATOM 0 H PHE A 43 8.393 -3.012 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 43 5.580 -3.192 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.560 -5.146 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.151 -5.832 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.718 -2.620 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.520 -6.853 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.453 -2.452 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.256 -6.691 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.720 -4.488 -5.539 1.00 0.00 H new ATOM 686 N ASP A 44 5.668 -5.107 1.779 1.00 0.00 N ATOM 687 CA ASP A 44 5.454 -5.920 3.018 1.00 0.00 C ATOM 688 C ASP A 44 6.684 -6.529 3.802 1.00 0.00 C ATOM 689 O ASP A 44 6.704 -7.702 4.146 1.00 0.00 O ATOM 690 CB ASP A 44 4.441 -6.986 2.510 1.00 0.00 C ATOM 691 CG ASP A 44 4.795 -7.377 1.087 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.791 -8.032 0.906 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.026 -6.962 0.258 1.00 0.00 O ATOM 0 H ASP A 44 4.857 -5.156 1.162 1.00 0.00 H new ATOM 0 HA ASP A 44 5.122 -5.271 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.464 -7.863 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.427 -6.588 2.548 1.00 0.00 H new ATOM 698 N ALA A 45 7.692 -5.755 4.121 1.00 0.00 N ATOM 699 CA ALA A 45 8.903 -6.276 4.872 1.00 0.00 C ATOM 700 C ALA A 45 8.431 -7.229 6.005 1.00 0.00 C ATOM 701 O ALA A 45 9.017 -8.248 6.310 1.00 0.00 O ATOM 702 CB ALA A 45 9.660 -5.025 5.388 1.00 0.00 C ATOM 0 H ALA A 45 7.737 -4.762 3.893 1.00 0.00 H new ATOM 0 HA ALA A 45 9.577 -6.865 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.546 -5.338 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.959 -4.406 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.008 -4.450 6.045 1.00 0.00 H new ATOM 708 N ALA A 46 7.333 -6.849 6.587 1.00 0.00 N ATOM 709 CA ALA A 46 6.705 -7.625 7.696 1.00 0.00 C ATOM 710 C ALA A 46 5.398 -8.401 7.295 1.00 0.00 C ATOM 711 O ALA A 46 5.275 -9.569 7.594 1.00 0.00 O ATOM 712 CB ALA A 46 6.457 -6.593 8.820 1.00 0.00 C ATOM 0 H ALA A 46 6.824 -6.002 6.333 1.00 0.00 H new ATOM 0 HA ALA A 46 7.368 -8.431 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.995 -7.089 9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.406 -6.153 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.795 -5.809 8.454 1.00 0.00 H new ATOM 718 N LEU A 47 4.483 -7.765 6.613 1.00 0.00 N ATOM 719 CA LEU A 47 3.182 -8.428 6.203 1.00 0.00 C ATOM 720 C LEU A 47 2.960 -9.205 4.846 1.00 0.00 C ATOM 721 O LEU A 47 2.075 -8.872 4.079 1.00 0.00 O ATOM 722 CB LEU A 47 2.096 -7.299 6.335 1.00 0.00 C ATOM 723 CG LEU A 47 1.758 -6.890 7.789 1.00 0.00 C ATOM 724 CD1 LEU A 47 2.923 -6.190 8.485 1.00 0.00 C ATOM 725 CD2 LEU A 47 0.612 -5.884 7.721 1.00 0.00 C ATOM 0 H LEU A 47 4.572 -6.795 6.311 1.00 0.00 H new ATOM 0 HA LEU A 47 3.147 -9.295 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.442 -6.417 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.182 -7.635 5.845 1.00 0.00 H new ATOM 0 HG LEU A 47 1.514 -7.793 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.633 -5.924 9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.783 -6.859 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.186 -5.286 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.343 -5.570 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.924 -5.015 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.251 -6.347 7.243 1.00 0.00 H new ATOM 737 N ASN A 48 3.742 -10.220 4.571 1.00 0.00 N ATOM 738 CA ASN A 48 3.557 -11.005 3.287 1.00 0.00 C ATOM 739 C ASN A 48 3.431 -12.548 3.493 1.00 0.00 C ATOM 740 O ASN A 48 4.026 -13.081 4.411 1.00 0.00 O ATOM 741 CB ASN A 48 4.747 -10.700 2.329 1.00 0.00 C ATOM 742 CG ASN A 48 6.123 -10.778 2.944 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.472 -11.612 3.747 1.00 0.00 O ATOM 744 ND2 ASN A 48 7.009 -9.926 2.610 1.00 0.00 N ATOM 0 H ASN A 48 4.500 -10.546 5.170 1.00 0.00 H new ATOM 0 HA ASN A 48 2.608 -10.682 2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.703 -11.398 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.610 -9.700 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.943 -9.976 3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.784 -9.194 1.937 1.00 0.00 H new ATOM 751 N PRO A 49 2.675 -13.229 2.648 1.00 0.00 N ATOM 752 CA PRO A 49 2.356 -14.692 2.828 1.00 0.00 C ATOM 753 C PRO A 49 3.514 -15.584 3.341 1.00 0.00 C ATOM 754 O PRO A 49 3.380 -16.314 4.299 1.00 0.00 O ATOM 755 CB PRO A 49 1.799 -15.095 1.429 1.00 0.00 C ATOM 756 CG PRO A 49 2.215 -13.923 0.495 1.00 0.00 C ATOM 757 CD PRO A 49 2.058 -12.695 1.397 1.00 0.00 C ATOM 0 HA PRO A 49 1.645 -14.852 3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.221 -16.041 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.716 -15.219 1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.239 -14.034 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.576 -13.862 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.583 -11.821 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.016 -12.406 1.534 1.00 0.00 H new ATOM 765 N ALA A 50 4.632 -15.494 2.684 1.00 0.00 N ATOM 766 CA ALA A 50 5.835 -16.303 3.081 1.00 0.00 C ATOM 767 C ALA A 50 6.853 -15.402 3.836 1.00 0.00 C ATOM 768 O ALA A 50 8.027 -15.404 3.536 1.00 0.00 O ATOM 769 CB ALA A 50 6.420 -16.875 1.773 1.00 0.00 C ATOM 0 H ALA A 50 4.775 -14.888 1.876 1.00 0.00 H new ATOM 0 HA ALA A 50 5.581 -17.115 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.301 -17.475 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.673 -17.499 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.700 -16.056 1.111 1.00 0.00 H new ATOM 775 N LYS A 51 6.344 -14.669 4.788 1.00 0.00 N ATOM 776 CA LYS A 51 7.136 -13.717 5.650 1.00 0.00 C ATOM 777 C LYS A 51 8.638 -13.490 5.302 1.00 0.00 C ATOM 778 O LYS A 51 9.545 -13.681 6.088 1.00 0.00 O ATOM 779 CB LYS A 51 6.966 -14.210 7.110 1.00 0.00 C ATOM 780 CG LYS A 51 7.616 -13.215 8.138 1.00 0.00 C ATOM 781 CD LYS A 51 7.218 -11.708 7.854 1.00 0.00 C ATOM 782 CE LYS A 51 8.277 -10.934 6.997 1.00 0.00 C ATOM 783 NZ LYS A 51 7.698 -10.549 5.660 1.00 0.00 N ATOM 0 H LYS A 51 5.351 -14.688 5.022 1.00 0.00 H new ATOM 0 HA LYS A 51 6.728 -12.723 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.906 -14.324 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.422 -15.194 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.306 -13.486 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.701 -13.315 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.258 -11.685 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.083 -11.191 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.601 -10.040 7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.160 -11.556 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.411 -10.697 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.863 -11.136 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.420 -9.547 5.678 1.00 0.00 H new ATOM 797 N SER A 52 8.857 -13.049 4.102 1.00 0.00 N ATOM 798 CA SER A 52 10.263 -12.780 3.620 1.00 0.00 C ATOM 799 C SER A 52 10.495 -11.265 3.434 1.00 0.00 C ATOM 800 O SER A 52 9.590 -10.476 3.657 1.00 0.00 O ATOM 801 CB SER A 52 10.468 -13.556 2.279 1.00 0.00 C ATOM 802 OG SER A 52 10.195 -12.642 1.215 1.00 0.00 O ATOM 0 H SER A 52 8.126 -12.857 3.417 1.00 0.00 H new ATOM 0 HA SER A 52 10.989 -13.123 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.487 -13.937 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.801 -14.417 2.227 1.00 0.00 H new ATOM 0 HG SER A 52 10.961 -12.612 0.605 1.00 0.00 H new ATOM 808 N ALA A 53 11.678 -10.896 3.051 1.00 0.00 N ATOM 809 CA ALA A 53 12.058 -9.455 2.820 1.00 0.00 C ATOM 810 C ALA A 53 12.593 -9.397 1.364 1.00 0.00 C ATOM 811 O ALA A 53 12.151 -8.644 0.517 1.00 0.00 O ATOM 812 CB ALA A 53 13.117 -9.113 3.899 1.00 0.00 C ATOM 0 H ALA A 53 12.439 -11.553 2.878 1.00 0.00 H new ATOM 0 HA ALA A 53 11.250 -8.729 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.433 -8.076 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.685 -9.252 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.979 -9.770 3.784 1.00 0.00 H new ATOM 818 N ASP A 54 13.566 -10.239 1.200 1.00 0.00 N ATOM 819 CA ASP A 54 14.347 -10.518 -0.045 1.00 0.00 C ATOM 820 C ASP A 54 13.554 -10.220 -1.354 1.00 0.00 C ATOM 821 O ASP A 54 13.943 -9.411 -2.185 1.00 0.00 O ATOM 822 CB ASP A 54 14.762 -12.009 0.194 1.00 0.00 C ATOM 823 CG ASP A 54 13.586 -12.747 0.808 1.00 0.00 C ATOM 824 OD1 ASP A 54 12.733 -13.177 0.065 1.00 0.00 O ATOM 825 OD2 ASP A 54 13.594 -12.808 2.020 1.00 0.00 O ATOM 0 H ASP A 54 13.890 -10.815 1.977 1.00 0.00 H new ATOM 0 HA ASP A 54 15.209 -9.871 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.052 -12.476 -0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.627 -12.060 0.855 1.00 0.00 H new ATOM 830 N LEU A 55 12.450 -10.896 -1.453 1.00 0.00 N ATOM 831 CA LEU A 55 11.514 -10.787 -2.607 1.00 0.00 C ATOM 832 C LEU A 55 10.615 -9.554 -2.389 1.00 0.00 C ATOM 833 O LEU A 55 10.540 -8.704 -3.253 1.00 0.00 O ATOM 834 CB LEU A 55 10.761 -12.148 -2.639 1.00 0.00 C ATOM 835 CG LEU A 55 9.655 -12.283 -3.722 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.378 -11.591 -3.252 1.00 0.00 C ATOM 837 CD2 LEU A 55 10.071 -11.591 -5.036 1.00 0.00 C ATOM 0 H LEU A 55 12.140 -11.557 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 55 11.989 -10.627 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.491 -12.943 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.308 -12.315 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 55 9.499 -13.349 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.608 -11.690 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.033 -12.053 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.580 -10.535 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.276 -11.703 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.246 -10.531 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.985 -12.049 -5.415 1.00 0.00 H new ATOM 849 N ALA A 56 9.948 -9.459 -1.272 1.00 0.00 N ATOM 850 CA ALA A 56 9.056 -8.272 -0.981 1.00 0.00 C ATOM 851 C ALA A 56 9.634 -6.941 -1.584 1.00 0.00 C ATOM 852 O ALA A 56 9.049 -6.255 -2.408 1.00 0.00 O ATOM 853 CB ALA A 56 8.928 -8.217 0.554 1.00 0.00 C ATOM 0 H ALA A 56 9.976 -10.158 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 56 8.078 -8.382 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.293 -7.377 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.485 -9.145 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.916 -8.090 0.997 1.00 0.00 H new ATOM 859 N LYS A 57 10.833 -6.609 -1.177 1.00 0.00 N ATOM 860 CA LYS A 57 11.462 -5.341 -1.703 1.00 0.00 C ATOM 861 C LYS A 57 12.208 -5.499 -3.063 1.00 0.00 C ATOM 862 O LYS A 57 13.199 -4.880 -3.393 1.00 0.00 O ATOM 863 CB LYS A 57 12.417 -4.780 -0.568 1.00 0.00 C ATOM 864 CG LYS A 57 13.260 -5.861 0.192 1.00 0.00 C ATOM 865 CD LYS A 57 13.965 -6.833 -0.788 1.00 0.00 C ATOM 866 CE LYS A 57 14.980 -6.130 -1.666 1.00 0.00 C ATOM 867 NZ LYS A 57 15.064 -6.950 -2.905 1.00 0.00 N ATOM 0 H LYS A 57 11.400 -7.142 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 57 10.664 -4.635 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.100 -4.058 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.812 -4.238 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.006 -5.368 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.610 -6.426 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.462 -7.620 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.218 -7.317 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.667 -5.110 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.949 -6.064 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.014 -6.858 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.882 -7.948 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.355 -6.618 -3.590 1.00 0.00 H new ATOM 881 N SER A 58 11.667 -6.395 -3.819 1.00 0.00 N ATOM 882 CA SER A 58 12.142 -6.755 -5.207 1.00 0.00 C ATOM 883 C SER A 58 10.893 -6.720 -6.114 1.00 0.00 C ATOM 884 O SER A 58 10.928 -7.025 -7.287 1.00 0.00 O ATOM 885 CB SER A 58 12.775 -8.158 -5.233 1.00 0.00 C ATOM 886 OG SER A 58 14.154 -7.880 -4.952 1.00 0.00 O ATOM 0 H SER A 58 10.856 -6.939 -3.524 1.00 0.00 H new ATOM 0 HA SER A 58 12.907 -6.056 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.333 -8.817 -4.485 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.648 -8.643 -6.201 1.00 0.00 H new ATOM 0 HG SER A 58 14.661 -8.718 -4.942 1.00 0.00 H new ATOM 892 N LEU A 59 9.815 -6.336 -5.480 1.00 0.00 N ATOM 893 CA LEU A 59 8.461 -6.185 -6.086 1.00 0.00 C ATOM 894 C LEU A 59 8.200 -4.666 -5.866 1.00 0.00 C ATOM 895 O LEU A 59 7.895 -3.901 -6.765 1.00 0.00 O ATOM 896 CB LEU A 59 7.428 -7.046 -5.318 1.00 0.00 C ATOM 897 CG LEU A 59 7.747 -8.547 -5.356 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.492 -9.265 -4.865 1.00 0.00 C ATOM 899 CD2 LEU A 59 8.045 -9.035 -6.777 1.00 0.00 C ATOM 0 H LEU A 59 9.827 -6.104 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 59 8.388 -6.502 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.389 -6.715 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.438 -6.880 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 59 8.627 -8.746 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.663 -10.342 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.260 -8.940 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.656 -9.026 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.265 -10.102 -6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.178 -8.856 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.904 -8.495 -7.175 1.00 0.00 H new ATOM 911 N SER A 60 8.321 -4.240 -4.628 1.00 0.00 N ATOM 912 CA SER A 60 8.102 -2.784 -4.340 1.00 0.00 C ATOM 913 C SER A 60 9.101 -1.877 -5.082 1.00 0.00 C ATOM 914 O SER A 60 10.273 -2.186 -5.159 1.00 0.00 O ATOM 915 CB SER A 60 8.242 -2.613 -2.879 1.00 0.00 C ATOM 916 OG SER A 60 9.615 -2.698 -2.493 1.00 0.00 O ATOM 0 H SER A 60 8.556 -4.821 -3.823 1.00 0.00 H new ATOM 0 HA SER A 60 7.113 -2.489 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.833 -1.648 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.665 -3.379 -2.361 1.00 0.00 H new ATOM 0 HG SER A 60 10.181 -2.680 -3.293 1.00 0.00 H new ATOM 922 N HIS A 61 8.626 -0.784 -5.596 1.00 0.00 N ATOM 923 CA HIS A 61 9.501 0.172 -6.350 1.00 0.00 C ATOM 924 C HIS A 61 9.636 1.642 -5.827 1.00 0.00 C ATOM 925 O HIS A 61 8.710 2.325 -5.425 1.00 0.00 O ATOM 926 CB HIS A 61 8.960 0.103 -7.827 1.00 0.00 C ATOM 927 CG HIS A 61 7.453 -0.153 -7.835 1.00 0.00 C ATOM 928 ND1 HIS A 61 6.903 -1.304 -7.619 1.00 0.00 N ATOM 929 CD2 HIS A 61 6.392 0.699 -8.041 1.00 0.00 C ATOM 930 CE1 HIS A 61 5.612 -1.185 -7.682 1.00 0.00 C ATOM 931 NE2 HIS A 61 5.255 0.047 -7.942 1.00 0.00 N ATOM 0 H HIS A 61 7.649 -0.499 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 61 10.536 -0.145 -6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.179 1.037 -8.344 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.472 -0.690 -8.371 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.481 1.754 -8.254 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.919 -2.001 -7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.310 0.417 -8.044 1.00 0.00 H new ATOM 939 N LYS A 62 10.856 2.101 -5.869 1.00 0.00 N ATOM 940 CA LYS A 62 11.201 3.494 -5.411 1.00 0.00 C ATOM 941 C LYS A 62 11.577 4.423 -6.577 1.00 0.00 C ATOM 942 O LYS A 62 12.711 4.528 -6.994 1.00 0.00 O ATOM 943 CB LYS A 62 12.368 3.441 -4.456 1.00 0.00 C ATOM 944 CG LYS A 62 11.971 2.650 -3.178 1.00 0.00 C ATOM 945 CD LYS A 62 13.076 2.742 -2.081 1.00 0.00 C ATOM 946 CE LYS A 62 13.543 4.184 -1.872 1.00 0.00 C ATOM 947 NZ LYS A 62 14.025 4.292 -0.471 1.00 0.00 N ATOM 0 H LYS A 62 11.653 1.562 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 62 10.311 3.895 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.222 2.965 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.676 4.452 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.033 3.041 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.798 1.605 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.691 2.344 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.925 2.121 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.339 4.436 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.726 4.883 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.951 5.280 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.445 3.686 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.018 3.986 -0.421 1.00 0.00 H new ATOM 961 N GLN A 63 10.575 5.071 -7.063 1.00 0.00 N ATOM 962 CA GLN A 63 10.739 6.027 -8.210 1.00 0.00 C ATOM 963 C GLN A 63 10.287 7.461 -7.796 1.00 0.00 C ATOM 964 O GLN A 63 9.720 8.209 -8.567 1.00 0.00 O ATOM 965 CB GLN A 63 9.893 5.409 -9.336 1.00 0.00 C ATOM 966 CG GLN A 63 10.045 6.149 -10.706 1.00 0.00 C ATOM 967 CD GLN A 63 8.869 5.734 -11.567 1.00 0.00 C ATOM 968 OE1 GLN A 63 7.870 6.410 -11.641 1.00 0.00 O ATOM 969 NE2 GLN A 63 8.942 4.628 -12.215 1.00 0.00 N ATOM 0 H GLN A 63 9.619 4.987 -6.716 1.00 0.00 H new ATOM 0 HA GLN A 63 11.772 6.156 -8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.177 4.364 -9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.844 5.420 -9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.055 7.229 -10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.987 5.883 -11.186 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.784 4.056 -12.154 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.158 4.322 -12.791 1.00 0.00 H new ATOM 978 N LEU A 64 10.575 7.774 -6.564 1.00 0.00 N ATOM 979 CA LEU A 64 10.238 9.095 -5.933 1.00 0.00 C ATOM 980 C LEU A 64 9.115 9.906 -6.643 1.00 0.00 C ATOM 981 O LEU A 64 9.328 11.001 -7.127 1.00 0.00 O ATOM 982 CB LEU A 64 11.563 9.938 -5.859 1.00 0.00 C ATOM 983 CG LEU A 64 12.578 9.416 -4.813 1.00 0.00 C ATOM 984 CD1 LEU A 64 13.333 8.184 -5.325 1.00 0.00 C ATOM 985 CD2 LEU A 64 13.618 10.508 -4.582 1.00 0.00 C ATOM 0 H LEU A 64 11.057 7.136 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 64 9.827 8.883 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.036 9.941 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.312 10.972 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 64 12.031 9.153 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.036 7.846 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.623 7.386 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.878 8.442 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.347 10.166 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.125 10.732 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.125 11.407 -4.213 1.00 0.00 H new ATOM 997 N LEU A 65 7.934 9.338 -6.679 1.00 0.00 N ATOM 998 CA LEU A 65 6.756 10.016 -7.335 1.00 0.00 C ATOM 999 C LEU A 65 6.584 11.453 -6.772 1.00 0.00 C ATOM 1000 O LEU A 65 5.887 11.693 -5.804 1.00 0.00 O ATOM 1001 CB LEU A 65 5.515 9.100 -7.086 1.00 0.00 C ATOM 1002 CG LEU A 65 5.345 8.092 -8.247 1.00 0.00 C ATOM 1003 CD1 LEU A 65 6.504 7.099 -8.263 1.00 0.00 C ATOM 1004 CD2 LEU A 65 4.066 7.299 -8.027 1.00 0.00 C ATOM 0 H LEU A 65 7.727 8.423 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 65 6.896 10.140 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.635 8.563 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.617 9.711 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 65 5.315 8.644 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.370 6.396 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.443 7.637 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.528 6.553 -7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.936 6.585 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.129 6.763 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.215 7.980 -8.003 1.00 0.00 H new ATOM 1016 N MET A 66 7.266 12.352 -7.419 1.00 0.00 N ATOM 1017 CA MET A 66 7.276 13.808 -7.063 1.00 0.00 C ATOM 1018 C MET A 66 6.680 14.822 -8.073 1.00 0.00 C ATOM 1019 O MET A 66 6.231 15.878 -7.669 1.00 0.00 O ATOM 1020 CB MET A 66 8.766 14.107 -6.748 1.00 0.00 C ATOM 1021 CG MET A 66 8.983 15.570 -6.299 1.00 0.00 C ATOM 1022 SD MET A 66 10.647 15.970 -5.715 1.00 0.00 S ATOM 1023 CE MET A 66 11.386 16.353 -7.322 1.00 0.00 C ATOM 0 H MET A 66 7.850 12.129 -8.225 1.00 0.00 H new ATOM 0 HA MET A 66 6.587 13.959 -6.232 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.113 13.433 -5.965 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.370 13.906 -7.633 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.743 16.227 -7.135 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.274 15.796 -5.503 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.431 16.630 -7.185 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.324 15.478 -7.969 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.848 17.183 -7.781 1.00 0.00 H new ATOM 1033 N SER A 67 6.666 14.505 -9.339 1.00 0.00 N ATOM 1034 CA SER A 67 6.094 15.502 -10.335 1.00 0.00 C ATOM 1035 C SER A 67 4.595 15.310 -10.672 1.00 0.00 C ATOM 1036 O SER A 67 4.201 14.207 -10.983 1.00 0.00 O ATOM 1037 CB SER A 67 6.877 15.414 -11.641 1.00 0.00 C ATOM 1038 OG SER A 67 6.370 16.528 -12.376 1.00 0.00 O ATOM 0 H SER A 67 7.011 13.630 -9.734 1.00 0.00 H new ATOM 0 HA SER A 67 6.185 16.473 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.952 15.491 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.700 14.471 -12.158 1.00 0.00 H new ATOM 0 HG SER A 67 6.812 16.572 -13.249 1.00 0.00 H new ATOM 1044 N PRO A 68 3.789 16.352 -10.614 1.00 0.00 N ATOM 1045 CA PRO A 68 2.293 16.258 -10.792 1.00 0.00 C ATOM 1046 C PRO A 68 1.837 15.600 -12.132 1.00 0.00 C ATOM 1047 O PRO A 68 1.498 16.278 -13.084 1.00 0.00 O ATOM 1048 CB PRO A 68 1.843 17.732 -10.610 1.00 0.00 C ATOM 1049 CG PRO A 68 3.090 18.519 -11.083 1.00 0.00 C ATOM 1050 CD PRO A 68 4.228 17.763 -10.398 1.00 0.00 C ATOM 0 HA PRO A 68 1.824 15.581 -10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.963 17.966 -11.210 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.591 17.955 -9.573 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.190 18.509 -12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.053 19.564 -10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.196 17.970 -10.854 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.314 18.013 -9.340 1.00 0.00 H new ATOM 1058 N GLY A 69 1.838 14.294 -12.172 1.00 0.00 N ATOM 1059 CA GLY A 69 1.420 13.537 -13.421 1.00 0.00 C ATOM 1060 C GLY A 69 2.501 12.547 -13.850 1.00 0.00 C ATOM 1061 O GLY A 69 2.887 12.428 -14.993 1.00 0.00 O ATOM 0 H GLY A 69 2.112 13.700 -11.390 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.488 13.004 -13.232 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.226 14.242 -14.230 1.00 0.00 H new ATOM 1065 N GLN A 70 2.949 11.850 -12.857 1.00 0.00 N ATOM 1066 CA GLN A 70 4.006 10.804 -12.959 1.00 0.00 C ATOM 1067 C GLN A 70 3.365 9.406 -12.719 1.00 0.00 C ATOM 1068 O GLN A 70 3.152 9.009 -11.588 1.00 0.00 O ATOM 1069 CB GLN A 70 5.065 11.168 -11.890 1.00 0.00 C ATOM 1070 CG GLN A 70 6.347 10.286 -12.056 1.00 0.00 C ATOM 1071 CD GLN A 70 7.284 10.387 -10.857 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.506 11.428 -10.268 1.00 0.00 O ATOM 1073 NE2 GLN A 70 7.859 9.303 -10.467 1.00 0.00 N ATOM 0 H GLN A 70 2.601 11.970 -11.906 1.00 0.00 H new ATOM 0 HA GLN A 70 4.476 10.762 -13.942 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.329 12.222 -11.977 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.647 11.026 -10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.053 9.246 -12.197 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.880 10.591 -12.956 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.678 8.426 -10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.495 9.321 -9.670 1.00 0.00 H new ATOM 1082 N SER A 71 3.069 8.738 -13.799 1.00 0.00 N ATOM 1083 CA SER A 71 2.444 7.357 -13.794 1.00 0.00 C ATOM 1084 C SER A 71 3.425 6.279 -14.308 1.00 0.00 C ATOM 1085 O SER A 71 3.901 6.345 -15.425 1.00 0.00 O ATOM 1086 CB SER A 71 1.207 7.391 -14.690 1.00 0.00 C ATOM 1087 OG SER A 71 1.724 7.871 -15.935 1.00 0.00 O ATOM 0 H SER A 71 3.239 9.101 -14.737 1.00 0.00 H new ATOM 0 HA SER A 71 2.180 7.095 -12.769 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.757 6.404 -14.794 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.438 8.052 -14.291 1.00 0.00 H new ATOM 0 HG SER A 71 2.640 7.544 -16.057 1.00 0.00 H new ATOM 1093 N THR A 72 3.715 5.312 -13.492 1.00 0.00 N ATOM 1094 CA THR A 72 4.669 4.208 -13.899 1.00 0.00 C ATOM 1095 C THR A 72 4.125 2.755 -14.033 1.00 0.00 C ATOM 1096 O THR A 72 4.381 1.876 -13.229 1.00 0.00 O ATOM 1097 CB THR A 72 5.840 4.265 -12.894 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.729 3.232 -13.278 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.500 3.906 -11.468 1.00 0.00 C ATOM 0 H THR A 72 3.337 5.223 -12.549 1.00 0.00 H new ATOM 0 HA THR A 72 4.943 4.416 -14.933 1.00 0.00 H new ATOM 0 HB THR A 72 6.204 5.292 -12.917 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.148 3.462 -14.134 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.395 3.980 -10.851 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.742 4.592 -11.091 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.117 2.886 -11.431 1.00 0.00 H new ATOM 1107 N SER A 73 3.375 2.492 -15.069 1.00 0.00 N ATOM 1108 CA SER A 73 2.792 1.099 -15.301 1.00 0.00 C ATOM 1109 C SER A 73 3.870 -0.017 -15.176 1.00 0.00 C ATOM 1110 O SER A 73 4.724 -0.188 -16.021 1.00 0.00 O ATOM 1111 CB SER A 73 2.137 1.069 -16.703 1.00 0.00 C ATOM 1112 OG SER A 73 3.187 1.349 -17.629 1.00 0.00 O ATOM 0 H SER A 73 3.128 3.177 -15.783 1.00 0.00 H new ATOM 0 HA SER A 73 2.048 0.898 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.688 0.097 -16.904 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.341 1.810 -16.779 1.00 0.00 H new ATOM 0 HG SER A 73 4.017 0.929 -17.320 1.00 0.00 H new ATOM 1118 N THR A 74 3.790 -0.763 -14.108 1.00 0.00 N ATOM 1119 CA THR A 74 4.767 -1.892 -13.818 1.00 0.00 C ATOM 1120 C THR A 74 4.114 -3.297 -13.755 1.00 0.00 C ATOM 1121 O THR A 74 2.950 -3.418 -13.431 1.00 0.00 O ATOM 1122 CB THR A 74 5.455 -1.594 -12.469 1.00 0.00 C ATOM 1123 OG1 THR A 74 6.025 -0.305 -12.622 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.734 -2.372 -12.290 1.00 0.00 C ATOM 0 H THR A 74 3.071 -0.645 -13.394 1.00 0.00 H new ATOM 0 HA THR A 74 5.474 -1.926 -14.647 1.00 0.00 H new ATOM 0 HB THR A 74 4.722 -1.776 -11.683 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.311 0.364 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.178 -2.126 -11.325 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.519 -3.440 -12.328 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.432 -2.114 -13.087 1.00 0.00 H new ATOM 1132 N THR A 75 4.861 -4.326 -14.056 1.00 0.00 N ATOM 1133 CA THR A 75 4.327 -5.758 -14.030 1.00 0.00 C ATOM 1134 C THR A 75 4.952 -6.685 -12.973 1.00 0.00 C ATOM 1135 O THR A 75 6.083 -6.492 -12.573 1.00 0.00 O ATOM 1136 CB THR A 75 4.566 -6.446 -15.397 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.812 -5.713 -16.345 1.00 0.00 O ATOM 1138 CG2 THR A 75 3.850 -7.780 -15.541 1.00 0.00 C ATOM 0 H THR A 75 5.842 -4.252 -14.327 1.00 0.00 H new ATOM 0 HA THR A 75 3.273 -5.631 -13.784 1.00 0.00 H new ATOM 0 HB THR A 75 5.647 -6.525 -15.508 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.930 -6.109 -17.234 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.063 -8.203 -16.523 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.197 -8.465 -14.767 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.776 -7.629 -15.436 1.00 0.00 H new ATOM 1146 N PHE A 76 4.206 -7.668 -12.554 1.00 0.00 N ATOM 1147 CA PHE A 76 4.694 -8.661 -11.525 1.00 0.00 C ATOM 1148 C PHE A 76 4.938 -10.073 -12.155 1.00 0.00 C ATOM 1149 O PHE A 76 4.481 -10.330 -13.250 1.00 0.00 O ATOM 1150 CB PHE A 76 3.617 -8.719 -10.426 1.00 0.00 C ATOM 1151 CG PHE A 76 3.541 -7.367 -9.714 1.00 0.00 C ATOM 1152 CD1 PHE A 76 4.586 -6.926 -8.927 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.424 -6.575 -9.853 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.518 -5.708 -8.285 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.353 -5.359 -9.212 1.00 0.00 C ATOM 1156 CZ PHE A 76 3.397 -4.927 -8.429 1.00 0.00 C ATOM 0 H PHE A 76 3.255 -7.838 -12.882 1.00 0.00 H new ATOM 0 HA PHE A 76 5.654 -8.348 -11.115 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.650 -8.967 -10.863 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.855 -9.506 -9.710 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.466 -7.542 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.601 -6.909 -10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.341 -5.370 -7.673 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.474 -4.742 -9.325 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.336 -3.973 -7.927 1.00 0.00 H new ATOM 1166 N PRO A 77 5.637 -10.962 -11.482 1.00 0.00 N ATOM 1167 CA PRO A 77 5.720 -12.387 -11.946 1.00 0.00 C ATOM 1168 C PRO A 77 4.382 -13.163 -11.739 1.00 0.00 C ATOM 1169 O PRO A 77 3.448 -12.636 -11.166 1.00 0.00 O ATOM 1170 CB PRO A 77 6.916 -12.906 -11.143 1.00 0.00 C ATOM 1171 CG PRO A 77 6.726 -12.169 -9.793 1.00 0.00 C ATOM 1172 CD PRO A 77 6.418 -10.721 -10.233 1.00 0.00 C ATOM 0 HA PRO A 77 5.866 -12.513 -13.019 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.892 -13.989 -11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.866 -12.658 -11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.910 -12.597 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.622 -12.222 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.842 -10.177 -9.485 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.324 -10.145 -10.418 1.00 0.00 H new ATOM 1180 N ALA A 78 4.320 -14.390 -12.185 1.00 0.00 N ATOM 1181 CA ALA A 78 3.057 -15.205 -12.039 1.00 0.00 C ATOM 1182 C ALA A 78 2.985 -16.249 -10.886 1.00 0.00 C ATOM 1183 O ALA A 78 2.180 -17.159 -10.907 1.00 0.00 O ATOM 1184 CB ALA A 78 2.859 -15.862 -13.428 1.00 0.00 C ATOM 0 H ALA A 78 5.090 -14.873 -12.648 1.00 0.00 H new ATOM 0 HA ALA A 78 2.255 -14.533 -11.733 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.959 -16.477 -13.415 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.757 -15.086 -14.186 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.721 -16.486 -13.661 1.00 0.00 H new ATOM 1190 N ASP A 79 3.836 -16.073 -9.924 1.00 0.00 N ATOM 1191 CA ASP A 79 3.903 -16.971 -8.731 1.00 0.00 C ATOM 1192 C ASP A 79 3.414 -16.159 -7.476 1.00 0.00 C ATOM 1193 O ASP A 79 2.464 -16.511 -6.792 1.00 0.00 O ATOM 1194 CB ASP A 79 5.404 -17.425 -8.693 1.00 0.00 C ATOM 1195 CG ASP A 79 6.273 -16.247 -8.344 1.00 0.00 C ATOM 1196 OD1 ASP A 79 6.408 -15.417 -9.221 1.00 0.00 O ATOM 1197 OD2 ASP A 79 6.721 -16.226 -7.218 1.00 0.00 O ATOM 0 H ASP A 79 4.518 -15.315 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 79 3.263 -17.853 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.537 -18.219 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.697 -17.833 -9.660 1.00 0.00 H new ATOM 1202 N ALA A 80 4.112 -15.072 -7.263 1.00 0.00 N ATOM 1203 CA ALA A 80 3.911 -14.085 -6.156 1.00 0.00 C ATOM 1204 C ALA A 80 2.921 -14.536 -5.041 1.00 0.00 C ATOM 1205 O ALA A 80 1.905 -13.909 -4.793 1.00 0.00 O ATOM 1206 CB ALA A 80 3.476 -12.798 -6.876 1.00 0.00 C ATOM 0 H ALA A 80 4.886 -14.810 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 80 4.828 -13.954 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.304 -12.011 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.259 -12.485 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.556 -12.984 -7.431 1.00 0.00 H new ATOM 1212 N PRO A 81 3.271 -15.621 -4.385 1.00 0.00 N ATOM 1213 CA PRO A 81 2.320 -16.512 -3.651 1.00 0.00 C ATOM 1214 C PRO A 81 0.877 -15.991 -3.426 1.00 0.00 C ATOM 1215 O PRO A 81 0.457 -15.724 -2.316 1.00 0.00 O ATOM 1216 CB PRO A 81 3.164 -16.791 -2.408 1.00 0.00 C ATOM 1217 CG PRO A 81 4.554 -17.099 -3.064 1.00 0.00 C ATOM 1218 CD PRO A 81 4.680 -16.098 -4.252 1.00 0.00 C ATOM 0 HA PRO A 81 2.015 -17.400 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.205 -15.935 -1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.784 -17.633 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.365 -16.964 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.605 -18.131 -3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.370 -15.284 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.037 -16.582 -5.161 1.00 0.00 H new ATOM 1226 N ALA A 82 0.208 -15.876 -4.540 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.216 -15.395 -4.676 1.00 0.00 C ATOM 1228 C ALA A 82 -1.968 -14.832 -3.424 1.00 0.00 C ATOM 1229 O ALA A 82 -3.104 -15.164 -3.140 1.00 0.00 O ATOM 1230 CB ALA A 82 -1.970 -16.596 -5.298 1.00 0.00 C ATOM 0 H ALA A 82 0.623 -16.116 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.187 -14.488 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.020 -16.336 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.529 -16.842 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.893 -17.457 -4.634 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.307 -13.962 -2.715 1.00 0.00 N ATOM 1237 CA GLY A 83 -1.905 -13.333 -1.468 1.00 0.00 C ATOM 1238 C GLY A 83 -1.959 -11.810 -1.411 1.00 0.00 C ATOM 1239 O GLY A 83 -1.486 -11.133 -2.299 1.00 0.00 O ATOM 0 H GLY A 83 -0.363 -13.645 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.921 -13.711 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.335 -13.683 -0.607 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.543 -11.334 -0.349 1.00 0.00 N ATOM 1244 CA GLU A 84 -2.706 -9.860 -0.088 1.00 0.00 C ATOM 1245 C GLU A 84 -1.391 -9.148 0.327 1.00 0.00 C ATOM 1246 O GLU A 84 -1.108 -9.000 1.504 1.00 0.00 O ATOM 1247 CB GLU A 84 -3.765 -9.690 1.036 1.00 0.00 C ATOM 1248 CG GLU A 84 -5.175 -10.185 0.591 1.00 0.00 C ATOM 1249 CD GLU A 84 -5.857 -9.324 -0.446 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.354 -8.300 -0.862 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -6.926 -9.737 -0.825 1.00 0.00 O ATOM 0 H GLU A 84 -2.933 -11.925 0.385 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.019 -9.391 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.448 -10.245 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.823 -8.640 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.080 -11.196 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.816 -10.245 1.470 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.614 -8.716 -0.620 1.00 0.00 N ATOM 1259 CA TYR A 85 0.681 -8.010 -0.291 1.00 0.00 C ATOM 1260 C TYR A 85 0.440 -6.594 0.293 1.00 0.00 C ATOM 1261 O TYR A 85 -0.695 -6.187 0.480 1.00 0.00 O ATOM 1262 CB TYR A 85 1.492 -7.975 -1.599 1.00 0.00 C ATOM 1263 CG TYR A 85 1.932 -9.413 -1.858 1.00 0.00 C ATOM 1264 CD1 TYR A 85 3.033 -9.922 -1.204 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.225 -10.223 -2.718 1.00 0.00 C ATOM 1266 CE1 TYR A 85 3.418 -11.233 -1.409 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.618 -11.533 -2.917 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.714 -12.038 -2.260 1.00 0.00 C ATOM 1269 OH TYR A 85 3.106 -13.343 -2.432 1.00 0.00 O ATOM 0 H TYR A 85 -0.808 -8.815 -1.616 1.00 0.00 H new ATOM 0 HA TYR A 85 1.229 -8.539 0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.887 -7.597 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.354 -7.314 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.596 -9.294 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.362 -9.834 -3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.282 -11.625 -0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.060 -12.164 -3.593 1.00 0.00 H new ATOM 0 HH TYR A 85 2.316 -13.906 -2.575 1.00 0.00 H new ATOM 1279 N THR A 86 1.468 -5.861 0.600 1.00 0.00 N ATOM 1280 CA THR A 86 1.325 -4.469 1.175 1.00 0.00 C ATOM 1281 C THR A 86 2.432 -3.478 0.836 1.00 0.00 C ATOM 1282 O THR A 86 3.556 -3.597 1.281 1.00 0.00 O ATOM 1283 CB THR A 86 1.218 -4.539 2.717 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.003 -5.227 2.921 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.767 -3.215 3.300 1.00 0.00 C ATOM 0 H THR A 86 2.434 -6.164 0.478 1.00 0.00 H new ATOM 0 HA THR A 86 0.420 -4.090 0.701 1.00 0.00 H new ATOM 0 HB THR A 86 2.159 -4.913 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.033 -5.712 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.702 -3.298 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.486 -2.438 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.212 -2.954 2.897 1.00 0.00 H new ATOM 1293 N PHE A 87 2.083 -2.502 0.058 1.00 0.00 N ATOM 1294 CA PHE A 87 3.052 -1.454 -0.362 1.00 0.00 C ATOM 1295 C PHE A 87 2.771 -0.108 0.318 1.00 0.00 C ATOM 1296 O PHE A 87 1.679 0.412 0.239 1.00 0.00 O ATOM 1297 CB PHE A 87 3.002 -1.259 -1.900 1.00 0.00 C ATOM 1298 CG PHE A 87 1.771 -1.898 -2.514 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.755 -3.250 -2.744 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.678 -1.138 -2.838 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.655 -3.849 -3.298 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.428 -1.729 -3.395 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.446 -3.086 -3.628 1.00 0.00 C ATOM 0 H PHE A 87 1.142 -2.380 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 87 4.042 -1.795 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.011 -0.194 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.897 -1.690 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.617 -3.847 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.687 -0.074 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.650 -4.914 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.288 -1.128 -3.652 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.317 -3.550 -4.067 1.00 0.00 H new ATOM 1313 N TYR A 88 3.758 0.412 0.974 1.00 0.00 N ATOM 1314 CA TYR A 88 3.632 1.718 1.680 1.00 0.00 C ATOM 1315 C TYR A 88 4.534 2.851 1.130 1.00 0.00 C ATOM 1316 O TYR A 88 5.649 2.618 0.702 1.00 0.00 O ATOM 1317 CB TYR A 88 3.914 1.410 3.177 1.00 0.00 C ATOM 1318 CG TYR A 88 5.140 0.511 3.306 1.00 0.00 C ATOM 1319 CD1 TYR A 88 4.964 -0.854 3.286 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.409 1.023 3.432 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.046 -1.698 3.391 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.489 0.168 3.539 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.311 -1.193 3.520 1.00 0.00 C ATOM 1324 OH TYR A 88 8.380 -2.050 3.641 1.00 0.00 O ATOM 0 H TYR A 88 4.677 -0.023 1.056 1.00 0.00 H new ATOM 0 HA TYR A 88 2.632 2.123 1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.076 2.339 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.048 0.923 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.970 -1.265 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.562 2.092 3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.895 -2.767 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.484 0.575 3.639 1.00 0.00 H new ATOM 0 HH TYR A 88 8.252 -2.819 3.047 1.00 0.00 H new ATOM 1334 N CYS A 89 4.009 4.044 1.163 1.00 0.00 N ATOM 1335 CA CYS A 89 4.758 5.248 0.665 1.00 0.00 C ATOM 1336 C CYS A 89 5.828 5.844 1.643 1.00 0.00 C ATOM 1337 O CYS A 89 5.594 6.842 2.292 1.00 0.00 O ATOM 1338 CB CYS A 89 3.689 6.277 0.315 1.00 0.00 C ATOM 1339 SG CYS A 89 4.279 7.788 -0.477 1.00 0.00 S ATOM 0 H CYS A 89 3.075 4.246 1.520 1.00 0.00 H new ATOM 0 HA CYS A 89 5.366 4.949 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.960 5.805 -0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.162 6.551 1.229 1.00 0.00 H new ATOM 1344 N GLU A 90 6.972 5.223 1.714 1.00 0.00 N ATOM 1345 CA GLU A 90 8.114 5.666 2.617 1.00 0.00 C ATOM 1346 C GLU A 90 8.014 6.978 3.507 1.00 0.00 C ATOM 1347 O GLU A 90 7.933 6.868 4.722 1.00 0.00 O ATOM 1348 CB GLU A 90 9.380 5.764 1.725 1.00 0.00 C ATOM 1349 CG GLU A 90 9.915 4.395 1.240 1.00 0.00 C ATOM 1350 CD GLU A 90 11.322 4.542 0.691 1.00 0.00 C ATOM 1351 OE1 GLU A 90 11.573 5.442 -0.093 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.152 3.740 1.061 1.00 0.00 O ATOM 0 H GLU A 90 7.186 4.390 1.166 1.00 0.00 H new ATOM 0 HA GLU A 90 8.111 4.902 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.153 6.382 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.166 6.273 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.912 3.683 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.257 3.992 0.470 1.00 0.00 H new ATOM 1359 N PRO A 91 8.028 8.176 2.945 1.00 0.00 N ATOM 1360 CA PRO A 91 8.023 9.459 3.731 1.00 0.00 C ATOM 1361 C PRO A 91 6.615 9.923 4.192 1.00 0.00 C ATOM 1362 O PRO A 91 6.464 10.873 4.934 1.00 0.00 O ATOM 1363 CB PRO A 91 8.687 10.420 2.767 1.00 0.00 C ATOM 1364 CG PRO A 91 7.985 10.005 1.446 1.00 0.00 C ATOM 1365 CD PRO A 91 8.073 8.466 1.477 1.00 0.00 C ATOM 0 HA PRO A 91 8.539 9.369 4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.504 11.463 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.768 10.287 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.952 10.350 1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.488 10.421 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.244 8.000 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.992 8.101 1.018 1.00 0.00 H new ATOM 1373 N HIS A 92 5.616 9.228 3.748 1.00 0.00 N ATOM 1374 CA HIS A 92 4.196 9.560 4.093 1.00 0.00 C ATOM 1375 C HIS A 92 3.484 8.533 5.002 1.00 0.00 C ATOM 1376 O HIS A 92 2.632 7.771 4.587 1.00 0.00 O ATOM 1377 CB HIS A 92 3.479 9.721 2.756 1.00 0.00 C ATOM 1378 CG HIS A 92 4.104 10.833 1.912 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.994 10.778 0.603 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.798 11.977 2.277 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.602 11.860 0.160 1.00 0.00 C ATOM 1382 NE2 HIS A 92 5.065 12.551 1.142 1.00 0.00 N ATOM 0 H HIS A 92 5.719 8.415 3.140 1.00 0.00 H new ATOM 0 HA HIS A 92 4.176 10.468 4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.518 8.781 2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.427 9.944 2.931 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.056 12.312 3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.698 12.129 -0.881 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.573 13.430 1.043 1.00 0.00 H new ATOM 1390 N ARG A 93 3.862 8.552 6.244 1.00 0.00 N ATOM 1391 CA ARG A 93 3.252 7.613 7.243 1.00 0.00 C ATOM 1392 C ARG A 93 2.134 8.379 7.998 1.00 0.00 C ATOM 1393 O ARG A 93 2.121 9.593 8.015 1.00 0.00 O ATOM 1394 CB ARG A 93 4.401 7.141 8.172 1.00 0.00 C ATOM 1395 CG ARG A 93 5.360 6.221 7.352 1.00 0.00 C ATOM 1396 CD ARG A 93 6.478 5.703 8.259 1.00 0.00 C ATOM 1397 NE ARG A 93 7.428 6.860 8.452 1.00 0.00 N ATOM 1398 CZ ARG A 93 8.678 6.731 8.311 1.00 0.00 C ATOM 1399 NH1 ARG A 93 9.156 6.742 7.157 1.00 0.00 N ATOM 1400 NH2 ARG A 93 9.364 6.601 9.349 1.00 0.00 N ATOM 0 H ARG A 93 4.572 9.179 6.622 1.00 0.00 H new ATOM 0 HA ARG A 93 2.792 6.734 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.945 7.999 8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.997 6.600 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.804 5.384 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.785 6.776 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.079 5.363 9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.986 4.853 7.805 1.00 0.00 H new ATOM 0 HE ARG A 93 7.050 7.773 8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.541 6.854 6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.162 6.640 7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.911 6.602 10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.376 6.494 9.281 1.00 0.00 H new ATOM 1414 N GLY A 94 1.205 7.689 8.604 1.00 0.00 N ATOM 1415 CA GLY A 94 0.090 8.410 9.346 1.00 0.00 C ATOM 1416 C GLY A 94 -1.017 8.729 8.336 1.00 0.00 C ATOM 1417 O GLY A 94 -2.151 8.321 8.457 1.00 0.00 O ATOM 0 H GLY A 94 1.156 6.670 8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.297 7.787 10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.465 9.326 9.803 1.00 0.00 H new ATOM 1421 N ALA A 95 -0.624 9.456 7.333 1.00 0.00 N ATOM 1422 CA ALA A 95 -1.553 9.874 6.232 1.00 0.00 C ATOM 1423 C ALA A 95 -1.733 8.711 5.201 1.00 0.00 C ATOM 1424 O ALA A 95 -1.307 8.754 4.068 1.00 0.00 O ATOM 1425 CB ALA A 95 -0.918 11.145 5.622 1.00 0.00 C ATOM 0 H ALA A 95 0.332 9.792 7.221 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.561 10.094 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.544 11.509 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.836 11.915 6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.074 10.908 5.239 1.00 0.00 H new ATOM 1431 N GLY A 96 -2.374 7.693 5.705 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.730 6.396 4.996 1.00 0.00 C ATOM 1433 C GLY A 96 -2.252 6.084 3.569 1.00 0.00 C ATOM 1434 O GLY A 96 -3.022 5.605 2.761 1.00 0.00 O ATOM 0 H GLY A 96 -2.700 7.700 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.373 5.584 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.818 6.335 4.982 1.00 0.00 H new ATOM 1438 N MET A 97 -1.010 6.331 3.278 1.00 0.00 N ATOM 1439 CA MET A 97 -0.498 6.031 1.890 1.00 0.00 C ATOM 1440 C MET A 97 -0.025 4.551 1.729 1.00 0.00 C ATOM 1441 O MET A 97 1.105 4.266 1.366 1.00 0.00 O ATOM 1442 CB MET A 97 0.675 7.010 1.576 1.00 0.00 C ATOM 1443 CG MET A 97 0.210 8.473 1.538 1.00 0.00 C ATOM 1444 SD MET A 97 0.943 9.538 0.268 1.00 0.00 S ATOM 1445 CE MET A 97 -0.342 9.317 -0.988 1.00 0.00 C ATOM 0 H MET A 97 -0.324 6.723 3.923 1.00 0.00 H new ATOM 0 HA MET A 97 -1.318 6.170 1.185 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.453 6.897 2.331 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.120 6.746 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.872 8.481 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.413 8.918 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.412 10.217 -1.599 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.089 8.467 -1.621 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.300 9.134 -0.501 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.933 3.666 2.042 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.678 2.181 1.947 1.00 0.00 C ATOM 1457 C VAL A 98 -1.659 1.379 1.033 1.00 0.00 C ATOM 1458 O VAL A 98 -2.852 1.607 1.065 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.736 1.608 3.392 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.351 0.115 3.389 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.278 2.331 4.298 1.00 0.00 C ATOM 0 H VAL A 98 -1.868 3.908 2.369 1.00 0.00 H new ATOM 0 HA VAL A 98 0.296 2.062 1.472 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.752 1.748 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.395 -0.274 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.046 -0.439 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.661 0.001 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.225 1.918 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.284 2.192 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.044 3.395 4.329 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.142 0.468 0.250 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.007 -0.380 -0.671 1.00 0.00 C ATOM 1473 C GLY A 99 -1.726 -1.899 -0.618 1.00 0.00 C ATOM 1474 O GLY A 99 -0.667 -2.332 -0.218 1.00 0.00 O ATOM 0 H GLY A 99 -0.144 0.262 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.054 -0.211 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.866 -0.036 -1.696 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.677 -2.689 -1.024 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.557 -4.193 -1.042 1.00 0.00 C ATOM 1480 C LYS A 100 -2.940 -4.870 -2.394 1.00 0.00 C ATOM 1481 O LYS A 100 -4.022 -4.643 -2.901 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.471 -4.823 0.049 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.007 -4.573 1.499 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.809 -5.606 2.387 1.00 0.00 C ATOM 1485 CE LYS A 100 -2.974 -6.307 3.469 1.00 0.00 C ATOM 1486 NZ LYS A 100 -1.866 -7.019 2.778 1.00 0.00 N ATOM 0 H LYS A 100 -3.577 -2.348 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.498 -4.376 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.480 -4.428 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.528 -5.898 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.932 -4.723 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.215 -3.548 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.637 -5.085 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.244 -6.364 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.580 -5.582 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.588 -7.008 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.390 -7.654 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.250 -7.575 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.182 -6.326 2.413 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.060 -5.667 -2.941 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.351 -6.378 -4.240 1.00 0.00 C ATOM 1502 C ILE A 101 -2.501 -7.891 -3.933 1.00 0.00 C ATOM 1503 O ILE A 101 -1.751 -8.456 -3.161 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.161 -6.194 -5.300 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.783 -6.140 -6.727 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.176 -7.406 -5.312 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.702 -6.376 -7.845 1.00 0.00 C ATOM 0 H ILE A 101 -1.140 -5.863 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.259 -5.956 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.621 -5.289 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.564 -6.895 -6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.258 -5.171 -6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.609 -7.229 -6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.270 -7.522 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.720 -8.314 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.176 -6.331 -8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.066 -5.605 -7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.245 -7.356 -7.708 1.00 0.00 H new ATOM 1519 N THR A 102 -3.460 -8.512 -4.537 1.00 0.00 N ATOM 1520 CA THR A 102 -3.699 -9.989 -4.333 1.00 0.00 C ATOM 1521 C THR A 102 -3.305 -10.601 -5.663 1.00 0.00 C ATOM 1522 O THR A 102 -4.037 -10.420 -6.617 1.00 0.00 O ATOM 1523 CB THR A 102 -5.172 -10.355 -4.114 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.778 -9.270 -3.444 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.326 -11.423 -3.059 1.00 0.00 C ATOM 0 H THR A 102 -4.112 -8.064 -5.181 1.00 0.00 H new ATOM 0 HA THR A 102 -3.151 -10.328 -3.454 1.00 0.00 H new ATOM 0 HB THR A 102 -5.577 -10.637 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.086 -8.717 -3.025 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.383 -11.657 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.790 -12.320 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.916 -11.064 -2.115 1.00 0.00 H new ATOM 1533 N VAL A 103 -2.207 -11.295 -5.756 1.00 0.00 N ATOM 1534 CA VAL A 103 -1.849 -11.883 -7.105 1.00 0.00 C ATOM 1535 C VAL A 103 -2.544 -13.262 -7.280 1.00 0.00 C ATOM 1536 O VAL A 103 -1.939 -14.304 -7.410 1.00 0.00 O ATOM 1537 CB VAL A 103 -0.285 -11.969 -7.151 1.00 0.00 C ATOM 1538 CG1 VAL A 103 0.163 -12.260 -8.594 1.00 0.00 C ATOM 1539 CG2 VAL A 103 0.389 -10.656 -6.686 1.00 0.00 C ATOM 0 H VAL A 103 -1.554 -11.484 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.198 -11.269 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 103 0.018 -12.766 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.251 -12.321 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.265 -13.206 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.179 -11.459 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.472 -10.766 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.077 -9.837 -7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.093 -10.439 -5.660 1.00 0.00 H new ATOM 1549 N ALA A 104 -3.849 -13.196 -7.283 1.00 0.00 N ATOM 1550 CA ALA A 104 -4.716 -14.417 -7.427 1.00 0.00 C ATOM 1551 C ALA A 104 -5.451 -14.594 -8.787 1.00 0.00 C ATOM 1552 O ALA A 104 -5.417 -13.726 -9.633 1.00 0.00 O ATOM 1553 CB ALA A 104 -5.709 -14.347 -6.241 1.00 0.00 C ATOM 0 H ALA A 104 -4.370 -12.324 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.077 -15.300 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.378 -15.207 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.156 -14.356 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.293 -13.429 -6.309 1.00 0.00 H new ATOM 1559 N GLY A 105 -6.076 -15.726 -8.935 1.00 0.00 N ATOM 1560 CA GLY A 105 -6.852 -16.110 -10.165 1.00 0.00 C ATOM 1561 C GLY A 105 -7.944 -17.108 -9.801 1.00 0.00 C ATOM 1562 O GLY A 105 -7.974 -17.503 -8.645 1.00 0.00 O ATOM 1563 OXT GLY A 105 -8.678 -17.414 -10.721 1.00 0.00 O ATOM 0 H GLY A 105 -6.084 -16.447 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.295 -15.223 -10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.182 -16.545 -10.907 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 3.208 9.547 -0.357 1.00 0.00 CU