USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 745 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 36 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.365 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 23:sc= 0.00242 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 172:sc= -0.743 USER MOD Single : A 30 SER OG : rot 58:sc= 0.231 USER MOD Single : A 35 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.8!) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 41 SER OG : rot 38:sc= 0.939 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 52 SER OG : rot 24:sc= 0.531 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.38) USER MOD Single : A 55 GLN : amide:sc= -0.0499 K(o=-0.05,f=-1.3!) USER MOD Single : A 58 CYS SG : rot 31:sc= 0.168 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.65 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.685 USER MOD Single : A 69 TYR OH : rot -172:sc= 1.07 USER MOD Single : A 72 MET CE :methyl 144:sc= -1.69 (180deg=-2.01) USER MOD Single : A 76 ASN :FLIP amide:sc= 0.116 F(o=-1.5,f=0.12) USER MOD Single : A 77 TYR OH : rot -12:sc= 0.998 USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.0609 (180deg=-0.366) USER MOD Single : A 83 TYR OH : rot -38:sc= -0.0896 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 88 HIS : no HD1:sc= -0.508 K(o=-0.51,f=-2.5) USER MOD Single : A 92 SER OG : rot -15:sc= 1.05 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 155:sc= -0.133 (180deg=-0.652) USER MOD Single : A 99 THR OG1 : rot -58:sc= 0.0803 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.741 -31.751 -15.611 1.00 0.00 N ATOM 2 CA GLY A 1 -0.514 -30.834 -14.510 1.00 0.00 C ATOM 3 C GLY A 1 -0.956 -29.420 -14.832 1.00 0.00 C ATOM 4 O GLY A 1 -0.350 -28.748 -15.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.422 -32.703 -15.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.756 -31.777 -15.838 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.208 -31.431 -16.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.051 -31.188 -13.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.546 -30.831 -14.256 1.00 0.00 H new ATOM 8 N SER A 2 -2.017 -28.968 -14.171 1.00 0.00 N ATOM 9 CA SER A 2 -2.543 -27.627 -14.395 1.00 0.00 C ATOM 10 C SER A 2 -1.437 -26.582 -14.276 1.00 0.00 C ATOM 11 O SER A 2 -0.757 -26.496 -13.254 1.00 0.00 O ATOM 12 CB SER A 2 -3.660 -27.320 -13.396 1.00 0.00 C ATOM 13 OG SER A 2 -3.143 -27.158 -12.087 1.00 0.00 O ATOM 0 H SER A 2 -2.529 -29.511 -13.476 1.00 0.00 H new ATOM 0 HA SER A 2 -2.949 -27.588 -15.406 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.183 -26.413 -13.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.392 -28.128 -13.404 1.00 0.00 H new ATOM 0 HG SER A 2 -2.193 -26.925 -12.137 1.00 0.00 H new ATOM 19 N SER A 3 -1.264 -25.789 -15.329 1.00 0.00 N ATOM 20 CA SER A 3 -0.239 -24.753 -15.345 1.00 0.00 C ATOM 21 C SER A 3 -0.843 -23.387 -15.029 1.00 0.00 C ATOM 22 O SER A 3 -1.439 -22.745 -15.892 1.00 0.00 O ATOM 23 CB SER A 3 0.455 -24.713 -16.707 1.00 0.00 C ATOM 24 OG SER A 3 1.557 -23.822 -16.693 1.00 0.00 O ATOM 0 H SER A 3 -1.821 -25.845 -16.182 1.00 0.00 H new ATOM 0 HA SER A 3 0.497 -24.993 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.796 -25.713 -16.974 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.257 -24.404 -17.472 1.00 0.00 H new ATOM 0 HG SER A 3 1.984 -23.816 -17.575 1.00 0.00 H new ATOM 30 N GLY A 4 -0.682 -22.950 -13.784 1.00 0.00 N ATOM 31 CA GLY A 4 -1.216 -21.664 -13.374 1.00 0.00 C ATOM 32 C GLY A 4 -0.146 -20.737 -12.834 1.00 0.00 C ATOM 33 O GLY A 4 0.915 -20.582 -13.440 1.00 0.00 O ATOM 0 H GLY A 4 -0.191 -23.463 -13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.707 -21.190 -14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.978 -21.818 -12.610 1.00 0.00 H new ATOM 37 N SER A 5 -0.423 -20.118 -11.691 1.00 0.00 N ATOM 38 CA SER A 5 0.522 -19.197 -11.071 1.00 0.00 C ATOM 39 C SER A 5 1.263 -19.871 -9.921 1.00 0.00 C ATOM 40 O SER A 5 0.681 -20.155 -8.874 1.00 0.00 O ATOM 41 CB SER A 5 -0.205 -17.951 -10.563 1.00 0.00 C ATOM 42 OG SER A 5 -0.330 -16.980 -11.588 1.00 0.00 O ATOM 0 H SER A 5 -1.295 -20.238 -11.175 1.00 0.00 H new ATOM 0 HA SER A 5 1.250 -18.901 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.194 -18.227 -10.197 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.340 -17.526 -9.720 1.00 0.00 H new ATOM 0 HG SER A 5 -0.800 -16.194 -11.239 1.00 0.00 H new ATOM 48 N SER A 6 2.552 -20.125 -10.124 1.00 0.00 N ATOM 49 CA SER A 6 3.374 -20.769 -9.106 1.00 0.00 C ATOM 50 C SER A 6 4.002 -19.734 -8.178 1.00 0.00 C ATOM 51 O SER A 6 3.959 -18.534 -8.449 1.00 0.00 O ATOM 52 CB SER A 6 4.468 -21.613 -9.762 1.00 0.00 C ATOM 53 OG SER A 6 5.421 -20.793 -10.417 1.00 0.00 O ATOM 0 H SER A 6 3.050 -19.895 -10.984 1.00 0.00 H new ATOM 0 HA SER A 6 2.730 -21.419 -8.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.965 -22.221 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.020 -22.300 -10.480 1.00 0.00 H new ATOM 0 HG SER A 6 6.111 -21.356 -10.827 1.00 0.00 H new ATOM 59 N GLY A 7 4.586 -20.207 -7.081 1.00 0.00 N ATOM 60 CA GLY A 7 5.215 -19.310 -6.130 1.00 0.00 C ATOM 61 C GLY A 7 5.916 -20.052 -5.010 1.00 0.00 C ATOM 62 O GLY A 7 5.297 -20.836 -4.292 1.00 0.00 O ATOM 0 H GLY A 7 4.635 -21.196 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.936 -18.680 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.460 -18.647 -5.706 1.00 0.00 H new ATOM 66 N ALA A 8 7.214 -19.806 -4.861 1.00 0.00 N ATOM 67 CA ALA A 8 8.000 -20.456 -3.820 1.00 0.00 C ATOM 68 C ALA A 8 8.337 -19.482 -2.696 1.00 0.00 C ATOM 69 O ALA A 8 9.443 -19.497 -2.159 1.00 0.00 O ATOM 70 CB ALA A 8 9.273 -21.044 -4.411 1.00 0.00 C ATOM 0 H ALA A 8 7.743 -19.161 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 8 7.401 -21.263 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.851 -21.527 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.015 -21.779 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.867 -20.248 -4.861 1.00 0.00 H new ATOM 76 N GLY A 9 7.374 -18.634 -2.346 1.00 0.00 N ATOM 77 CA GLY A 9 7.589 -17.664 -1.288 1.00 0.00 C ATOM 78 C GLY A 9 6.779 -17.972 -0.045 1.00 0.00 C ATOM 79 O GLY A 9 5.982 -18.911 -0.033 1.00 0.00 O ATOM 0 H GLY A 9 6.450 -18.602 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.648 -17.640 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.327 -16.670 -1.652 1.00 0.00 H new ATOM 83 N ASP A 10 6.984 -17.183 1.003 1.00 0.00 N ATOM 84 CA ASP A 10 6.266 -17.377 2.258 1.00 0.00 C ATOM 85 C ASP A 10 5.570 -16.091 2.691 1.00 0.00 C ATOM 86 O ASP A 10 6.159 -15.223 3.335 1.00 0.00 O ATOM 87 CB ASP A 10 7.227 -17.844 3.353 1.00 0.00 C ATOM 88 CG ASP A 10 8.259 -18.827 2.836 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.859 -19.871 2.280 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.468 -18.552 2.987 1.00 0.00 O ATOM 0 H ASP A 10 7.641 -16.403 1.009 1.00 0.00 H new ATOM 0 HA ASP A 10 5.508 -18.144 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.735 -16.979 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.658 -18.309 4.158 1.00 0.00 H new ATOM 95 N PRO A 11 4.285 -15.962 2.328 1.00 0.00 N ATOM 96 CA PRO A 11 3.481 -14.785 2.667 1.00 0.00 C ATOM 97 C PRO A 11 3.169 -14.705 4.158 1.00 0.00 C ATOM 98 O PRO A 11 3.021 -13.618 4.713 1.00 0.00 O ATOM 99 CB PRO A 11 2.195 -14.990 1.862 1.00 0.00 C ATOM 100 CG PRO A 11 2.102 -16.464 1.665 1.00 0.00 C ATOM 101 CD PRO A 11 3.518 -16.957 1.558 1.00 0.00 C ATOM 0 HA PRO A 11 4.002 -13.856 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.327 -14.607 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.237 -14.465 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.586 -16.938 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.537 -16.703 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.627 -17.958 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.850 -17.005 0.521 1.00 0.00 H new ATOM 109 N GLY A 12 3.072 -15.865 4.800 1.00 0.00 N ATOM 110 CA GLY A 12 2.779 -15.904 6.221 1.00 0.00 C ATOM 111 C GLY A 12 3.804 -15.150 7.045 1.00 0.00 C ATOM 112 O GLY A 12 3.489 -14.630 8.116 1.00 0.00 O ATOM 0 H GLY A 12 3.191 -16.778 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.791 -15.478 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.742 -16.942 6.553 1.00 0.00 H new ATOM 116 N LEU A 13 5.034 -15.090 6.546 1.00 0.00 N ATOM 117 CA LEU A 13 6.110 -14.395 7.244 1.00 0.00 C ATOM 118 C LEU A 13 6.272 -12.974 6.716 1.00 0.00 C ATOM 119 O LEU A 13 7.301 -12.334 6.932 1.00 0.00 O ATOM 120 CB LEU A 13 7.424 -15.163 7.090 1.00 0.00 C ATOM 121 CG LEU A 13 7.358 -16.667 7.355 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.747 -17.282 7.288 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.714 -16.943 8.706 1.00 0.00 C ATOM 0 H LEU A 13 5.311 -15.514 5.661 1.00 0.00 H new ATOM 0 HA LEU A 13 5.850 -14.342 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.795 -15.009 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.158 -14.727 7.768 1.00 0.00 H new ATOM 0 HG LEU A 13 6.742 -17.126 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.680 -18.353 7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.171 -17.116 6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.387 -16.819 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.675 -18.019 8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.302 -16.471 9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.702 -16.537 8.716 1.00 0.00 H new ATOM 135 N VAL A 14 5.248 -12.484 6.024 1.00 0.00 N ATOM 136 CA VAL A 14 5.276 -11.137 5.468 1.00 0.00 C ATOM 137 C VAL A 14 4.156 -10.280 6.047 1.00 0.00 C ATOM 138 O VAL A 14 3.004 -10.708 6.114 1.00 0.00 O ATOM 139 CB VAL A 14 5.148 -11.161 3.933 1.00 0.00 C ATOM 140 CG1 VAL A 14 5.083 -9.745 3.380 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.305 -11.931 3.314 1.00 0.00 C ATOM 0 H VAL A 14 4.389 -13.000 5.835 1.00 0.00 H new ATOM 0 HA VAL A 14 6.239 -10.703 5.738 1.00 0.00 H new ATOM 0 HB VAL A 14 4.221 -11.671 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.993 -9.782 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.218 -9.230 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.991 -9.207 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.198 -11.938 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.246 -11.452 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.300 -12.956 3.686 1.00 0.00 H new ATOM 151 N SER A 15 4.503 -9.066 6.464 1.00 0.00 N ATOM 152 CA SER A 15 3.527 -8.149 7.041 1.00 0.00 C ATOM 153 C SER A 15 3.803 -6.715 6.602 1.00 0.00 C ATOM 154 O SER A 15 4.879 -6.408 6.088 1.00 0.00 O ATOM 155 CB SER A 15 3.551 -8.240 8.568 1.00 0.00 C ATOM 156 OG SER A 15 2.703 -9.277 9.031 1.00 0.00 O ATOM 0 H SER A 15 5.452 -8.695 6.413 1.00 0.00 H new ATOM 0 HA SER A 15 2.539 -8.437 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.571 -8.421 8.909 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.235 -7.289 8.997 1.00 0.00 H new ATOM 0 HG SER A 15 2.577 -9.939 8.319 1.00 0.00 H new ATOM 162 N ALA A 16 2.824 -5.840 6.808 1.00 0.00 N ATOM 163 CA ALA A 16 2.961 -4.438 6.435 1.00 0.00 C ATOM 164 C ALA A 16 2.438 -3.523 7.537 1.00 0.00 C ATOM 165 O ALA A 16 1.338 -3.723 8.053 1.00 0.00 O ATOM 166 CB ALA A 16 2.231 -4.165 5.129 1.00 0.00 C ATOM 0 H ALA A 16 1.927 -6.078 7.231 1.00 0.00 H new ATOM 0 HA ALA A 16 4.021 -4.227 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.342 -3.114 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.654 -4.786 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.173 -4.399 5.248 1.00 0.00 H new ATOM 172 N TYR A 17 3.232 -2.520 7.894 1.00 0.00 N ATOM 173 CA TYR A 17 2.850 -1.576 8.937 1.00 0.00 C ATOM 174 C TYR A 17 3.108 -0.139 8.494 1.00 0.00 C ATOM 175 O TYR A 17 4.045 0.132 7.745 1.00 0.00 O ATOM 176 CB TYR A 17 3.618 -1.870 10.227 1.00 0.00 C ATOM 177 CG TYR A 17 5.116 -1.952 10.033 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.873 -0.806 9.823 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.773 -3.176 10.060 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.241 -0.876 9.646 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.141 -3.255 9.884 1.00 0.00 C ATOM 182 CZ TYR A 17 7.871 -2.103 9.677 1.00 0.00 C ATOM 183 OH TYR A 17 9.233 -2.178 9.501 1.00 0.00 O ATOM 0 H TYR A 17 4.145 -2.340 7.476 1.00 0.00 H new ATOM 0 HA TYR A 17 1.782 -1.693 9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.396 -1.092 10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.262 -2.811 10.646 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.383 0.156 9.798 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.205 -4.080 10.221 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.814 0.025 9.484 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.637 -4.214 9.908 1.00 0.00 H new ATOM 0 HH TYR A 17 9.518 -3.114 9.552 1.00 0.00 H new ATOM 193 N GLY A 18 2.268 0.778 8.964 1.00 0.00 N ATOM 194 CA GLY A 18 2.422 2.176 8.606 1.00 0.00 C ATOM 195 C GLY A 18 1.115 2.941 8.681 1.00 0.00 C ATOM 196 O GLY A 18 0.030 2.358 8.703 1.00 0.00 O ATOM 0 H GLY A 18 1.484 0.578 9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.150 2.640 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.824 2.247 7.595 1.00 0.00 H new ATOM 200 N PRO A 19 1.208 4.278 8.723 1.00 0.00 N ATOM 201 CA PRO A 19 0.034 5.152 8.797 1.00 0.00 C ATOM 202 C PRO A 19 -0.772 5.151 7.503 1.00 0.00 C ATOM 203 O PRO A 19 -1.885 5.673 7.453 1.00 0.00 O ATOM 204 CB PRO A 19 0.637 6.536 9.050 1.00 0.00 C ATOM 205 CG PRO A 19 2.014 6.458 8.488 1.00 0.00 C ATOM 206 CD PRO A 19 2.468 5.040 8.700 1.00 0.00 C ATOM 0 HA PRO A 19 -0.666 4.829 9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.054 7.317 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.657 6.771 10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.018 6.715 7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.680 7.160 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.126 4.705 7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.021 4.930 9.633 1.00 0.00 H new ATOM 214 N GLY A 20 -0.203 4.560 6.456 1.00 0.00 N ATOM 215 CA GLY A 20 -0.884 4.502 5.176 1.00 0.00 C ATOM 216 C GLY A 20 -1.902 3.381 5.111 1.00 0.00 C ATOM 217 O GLY A 20 -2.979 3.543 4.537 1.00 0.00 O ATOM 0 H GLY A 20 0.717 4.121 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.383 5.453 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.149 4.367 4.383 1.00 0.00 H new ATOM 221 N LEU A 21 -1.561 2.239 5.698 1.00 0.00 N ATOM 222 CA LEU A 21 -2.453 1.085 5.703 1.00 0.00 C ATOM 223 C LEU A 21 -3.677 1.347 6.575 1.00 0.00 C ATOM 224 O LEU A 21 -4.767 0.851 6.294 1.00 0.00 O ATOM 225 CB LEU A 21 -1.711 -0.155 6.205 1.00 0.00 C ATOM 226 CG LEU A 21 -0.375 -0.459 5.526 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.539 -1.230 6.466 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.596 -1.237 4.237 1.00 0.00 C ATOM 0 H LEU A 21 -0.673 2.088 6.177 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.789 0.911 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.534 -0.040 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.364 -1.019 6.081 1.00 0.00 H new ATOM 0 HG LEU A 21 0.107 0.486 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.485 -1.437 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.725 -0.636 7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.063 -2.170 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.366 -1.444 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.100 -2.177 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.212 -0.648 3.557 1.00 0.00 H new ATOM 240 N GLU A 22 -3.488 2.130 7.632 1.00 0.00 N ATOM 241 CA GLU A 22 -4.578 2.458 8.543 1.00 0.00 C ATOM 242 C GLU A 22 -5.314 3.712 8.082 1.00 0.00 C ATOM 243 O GLU A 22 -6.511 3.866 8.320 1.00 0.00 O ATOM 244 CB GLU A 22 -4.042 2.661 9.962 1.00 0.00 C ATOM 245 CG GLU A 22 -3.907 1.371 10.753 1.00 0.00 C ATOM 246 CD GLU A 22 -5.184 0.554 10.758 1.00 0.00 C ATOM 247 OE1 GLU A 22 -6.268 1.147 10.940 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.100 -0.680 10.580 1.00 0.00 O ATOM 0 H GLU A 22 -2.591 2.549 7.879 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.281 1.625 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.068 3.147 9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.706 3.338 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.099 0.773 10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.627 1.606 11.780 1.00 0.00 H new ATOM 255 N GLY A 23 -4.588 4.608 7.419 1.00 0.00 N ATOM 256 CA GLY A 23 -5.188 5.837 6.934 1.00 0.00 C ATOM 257 C GLY A 23 -4.604 7.068 7.599 1.00 0.00 C ATOM 258 O GLY A 23 -3.790 6.960 8.515 1.00 0.00 O ATOM 0 H GLY A 23 -3.595 4.504 7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.044 5.907 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.263 5.808 7.111 1.00 0.00 H new ATOM 262 N GLY A 24 -5.021 8.243 7.136 1.00 0.00 N ATOM 263 CA GLY A 24 -4.522 9.483 7.702 1.00 0.00 C ATOM 264 C GLY A 24 -5.403 10.669 7.366 1.00 0.00 C ATOM 265 O GLY A 24 -6.594 10.677 7.680 1.00 0.00 O ATOM 0 H GLY A 24 -5.695 8.358 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.451 9.382 8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.513 9.667 7.333 1.00 0.00 H new ATOM 269 N THR A 25 -4.817 11.677 6.727 1.00 0.00 N ATOM 270 CA THR A 25 -5.556 12.876 6.351 1.00 0.00 C ATOM 271 C THR A 25 -5.491 13.112 4.846 1.00 0.00 C ATOM 272 O THR A 25 -4.505 12.767 4.194 1.00 0.00 O ATOM 273 CB THR A 25 -5.014 14.121 7.078 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.385 14.081 8.461 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.549 15.395 6.441 1.00 0.00 C ATOM 0 H THR A 25 -3.833 11.687 6.459 1.00 0.00 H new ATOM 0 HA THR A 25 -6.593 12.714 6.647 1.00 0.00 H new ATOM 0 HB THR A 25 -3.927 14.120 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.035 14.875 8.917 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.153 16.261 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.241 15.437 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.637 15.401 6.499 1.00 0.00 H new ATOM 283 N THR A 26 -6.549 13.703 4.299 1.00 0.00 N ATOM 284 CA THR A 26 -6.612 13.985 2.870 1.00 0.00 C ATOM 285 C THR A 26 -5.491 14.927 2.445 1.00 0.00 C ATOM 286 O THR A 26 -5.058 15.781 3.218 1.00 0.00 O ATOM 287 CB THR A 26 -7.966 14.608 2.480 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.360 15.577 3.458 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.039 13.537 2.359 1.00 0.00 C ATOM 0 H THR A 26 -7.373 13.995 4.824 1.00 0.00 H new ATOM 0 HA THR A 26 -6.497 13.032 2.354 1.00 0.00 H new ATOM 0 HB THR A 26 -7.851 15.096 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.152 16.059 3.140 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.986 14.000 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.750 12.817 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.151 13.024 3.314 1.00 0.00 H new ATOM 297 N GLY A 27 -5.026 14.767 1.210 1.00 0.00 N ATOM 298 CA GLY A 27 -3.960 15.612 0.704 1.00 0.00 C ATOM 299 C GLY A 27 -2.676 15.461 1.495 1.00 0.00 C ATOM 300 O GLY A 27 -1.856 16.378 1.544 1.00 0.00 O ATOM 0 H GLY A 27 -5.368 14.068 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.771 15.366 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.281 16.653 0.733 1.00 0.00 H new ATOM 304 N VAL A 28 -2.500 14.300 2.119 1.00 0.00 N ATOM 305 CA VAL A 28 -1.307 14.033 2.913 1.00 0.00 C ATOM 306 C VAL A 28 -0.606 12.763 2.441 1.00 0.00 C ATOM 307 O VAL A 28 -1.223 11.704 2.337 1.00 0.00 O ATOM 308 CB VAL A 28 -1.647 13.892 4.409 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.396 13.577 5.214 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.318 15.157 4.923 1.00 0.00 C ATOM 0 H VAL A 28 -3.168 13.530 2.090 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.641 14.885 2.779 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.345 13.063 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.656 13.481 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.038 12.642 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.328 14.382 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.552 15.041 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.646 16.005 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.238 15.333 4.366 1.00 0.00 H new ATOM 320 N SER A 29 0.687 12.879 2.157 1.00 0.00 N ATOM 321 CA SER A 29 1.473 11.741 1.693 1.00 0.00 C ATOM 322 C SER A 29 1.475 10.623 2.731 1.00 0.00 C ATOM 323 O SER A 29 2.090 10.745 3.790 1.00 0.00 O ATOM 324 CB SER A 29 2.908 12.174 1.391 1.00 0.00 C ATOM 325 OG SER A 29 2.989 12.834 0.139 1.00 0.00 O ATOM 0 H SER A 29 1.213 13.749 2.240 1.00 0.00 H new ATOM 0 HA SER A 29 1.015 11.364 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.264 12.837 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.562 11.302 1.389 1.00 0.00 H new ATOM 0 HG SER A 29 3.916 13.102 -0.030 1.00 0.00 H new ATOM 331 N SER A 30 0.781 9.533 2.419 1.00 0.00 N ATOM 332 CA SER A 30 0.699 8.393 3.325 1.00 0.00 C ATOM 333 C SER A 30 1.390 7.172 2.726 1.00 0.00 C ATOM 334 O SER A 30 1.100 6.772 1.599 1.00 0.00 O ATOM 335 CB SER A 30 -0.763 8.065 3.635 1.00 0.00 C ATOM 336 OG SER A 30 -1.477 9.229 4.013 1.00 0.00 O ATOM 0 H SER A 30 0.267 9.415 1.546 1.00 0.00 H new ATOM 0 HA SER A 30 1.209 8.659 4.251 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.232 7.615 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.812 7.328 4.437 1.00 0.00 H new ATOM 0 HG SER A 30 -1.422 9.894 3.295 1.00 0.00 H new ATOM 342 N GLU A 31 2.306 6.584 3.489 1.00 0.00 N ATOM 343 CA GLU A 31 3.040 5.409 3.034 1.00 0.00 C ATOM 344 C GLU A 31 3.089 4.342 4.124 1.00 0.00 C ATOM 345 O GLU A 31 2.478 4.491 5.182 1.00 0.00 O ATOM 346 CB GLU A 31 4.460 5.796 2.619 1.00 0.00 C ATOM 347 CG GLU A 31 5.283 6.392 3.748 1.00 0.00 C ATOM 348 CD GLU A 31 6.554 7.058 3.256 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.588 6.364 3.162 1.00 0.00 O ATOM 350 OE2 GLU A 31 6.514 8.272 2.965 1.00 0.00 O ATOM 0 H GLU A 31 2.557 6.902 4.425 1.00 0.00 H new ATOM 0 HA GLU A 31 2.517 4.998 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.971 4.913 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.407 6.514 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.679 7.123 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.541 5.607 4.459 1.00 0.00 H new ATOM 357 N PHE A 32 3.822 3.266 3.858 1.00 0.00 N ATOM 358 CA PHE A 32 3.951 2.173 4.814 1.00 0.00 C ATOM 359 C PHE A 32 5.138 1.281 4.464 1.00 0.00 C ATOM 360 O PHE A 32 5.635 1.305 3.338 1.00 0.00 O ATOM 361 CB PHE A 32 2.666 1.342 4.847 1.00 0.00 C ATOM 362 CG PHE A 32 2.166 0.957 3.484 1.00 0.00 C ATOM 363 CD1 PHE A 32 1.483 1.871 2.699 1.00 0.00 C ATOM 364 CD2 PHE A 32 2.380 -0.319 2.988 1.00 0.00 C ATOM 365 CE1 PHE A 32 1.021 1.519 1.445 1.00 0.00 C ATOM 366 CE2 PHE A 32 1.921 -0.677 1.735 1.00 0.00 C ATOM 367 CZ PHE A 32 1.241 0.244 0.962 1.00 0.00 C ATOM 0 H PHE A 32 4.336 3.128 2.988 1.00 0.00 H new ATOM 0 HA PHE A 32 4.122 2.605 5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.842 0.438 5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.890 1.907 5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.310 2.870 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.912 -1.042 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.488 2.240 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.094 -1.675 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.882 -0.033 -0.018 1.00 0.00 H new ATOM 377 N ILE A 33 5.588 0.497 5.438 1.00 0.00 N ATOM 378 CA ILE A 33 6.717 -0.403 5.233 1.00 0.00 C ATOM 379 C ILE A 33 6.266 -1.860 5.235 1.00 0.00 C ATOM 380 O ILE A 33 5.603 -2.314 6.167 1.00 0.00 O ATOM 381 CB ILE A 33 7.795 -0.209 6.316 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.513 1.127 6.118 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.789 -1.361 6.285 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.619 1.373 7.120 1.00 0.00 C ATOM 0 H ILE A 33 5.189 0.467 6.376 1.00 0.00 H new ATOM 0 HA ILE A 33 7.143 -0.159 4.260 1.00 0.00 H new ATOM 0 HB ILE A 33 7.311 -0.198 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.931 1.160 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.785 1.935 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.545 -1.210 7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.265 -2.299 6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.270 -1.400 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.084 2.338 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.204 1.373 8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.368 0.585 7.036 1.00 0.00 H new ATOM 396 N VAL A 34 6.632 -2.588 4.185 1.00 0.00 N ATOM 397 CA VAL A 34 6.268 -3.995 4.066 1.00 0.00 C ATOM 398 C VAL A 34 7.437 -4.899 4.442 1.00 0.00 C ATOM 399 O VAL A 34 8.338 -5.132 3.637 1.00 0.00 O ATOM 400 CB VAL A 34 5.807 -4.337 2.637 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.407 -5.801 2.541 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.658 -3.433 2.218 1.00 0.00 C ATOM 0 H VAL A 34 7.180 -2.227 3.404 1.00 0.00 H new ATOM 0 HA VAL A 34 5.443 -4.168 4.757 1.00 0.00 H new ATOM 0 HB VAL A 34 6.640 -4.168 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.084 -6.024 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.261 -6.429 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.589 -6.001 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.345 -3.688 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.820 -3.568 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.984 -2.393 2.245 1.00 0.00 H new ATOM 412 N ASN A 35 7.415 -5.406 5.670 1.00 0.00 N ATOM 413 CA ASN A 35 8.474 -6.285 6.153 1.00 0.00 C ATOM 414 C ASN A 35 8.428 -7.634 5.442 1.00 0.00 C ATOM 415 O ASN A 35 7.595 -8.485 5.754 1.00 0.00 O ATOM 416 CB ASN A 35 8.348 -6.487 7.664 1.00 0.00 C ATOM 417 CG ASN A 35 8.941 -7.806 8.122 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.282 -8.845 8.076 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.191 -7.770 8.567 1.00 0.00 N ATOM 0 H ASN A 35 6.676 -5.224 6.349 1.00 0.00 H new ATOM 0 HA ASN A 35 9.432 -5.813 5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.848 -5.668 8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.296 -6.447 7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.643 -8.626 8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.700 -6.886 8.587 1.00 0.00 H new ATOM 426 N THR A 36 9.329 -7.822 4.483 1.00 0.00 N ATOM 427 CA THR A 36 9.392 -9.067 3.727 1.00 0.00 C ATOM 428 C THR A 36 10.697 -9.807 3.993 1.00 0.00 C ATOM 429 O THR A 36 10.912 -10.909 3.486 1.00 0.00 O ATOM 430 CB THR A 36 9.259 -8.811 2.213 1.00 0.00 C ATOM 431 OG1 THR A 36 10.371 -8.040 1.747 1.00 0.00 O ATOM 432 CG2 THR A 36 7.961 -8.082 1.900 1.00 0.00 C ATOM 0 H THR A 36 10.025 -7.128 4.211 1.00 0.00 H new ATOM 0 HA THR A 36 8.556 -9.682 4.060 1.00 0.00 H new ATOM 0 HB THR A 36 9.248 -9.774 1.703 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.280 -7.883 0.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.889 -7.912 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.116 -8.686 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.947 -7.124 2.420 1.00 0.00 H new ATOM 440 N LEU A 37 11.566 -9.196 4.790 1.00 0.00 N ATOM 441 CA LEU A 37 12.852 -9.798 5.125 1.00 0.00 C ATOM 442 C LEU A 37 12.664 -11.195 5.708 1.00 0.00 C ATOM 443 O LEU A 37 13.305 -12.151 5.273 1.00 0.00 O ATOM 444 CB LEU A 37 13.608 -8.915 6.120 1.00 0.00 C ATOM 445 CG LEU A 37 13.857 -7.472 5.682 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.218 -6.605 6.878 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.955 -7.416 4.630 1.00 0.00 C ATOM 0 H LEU A 37 11.404 -8.284 5.217 1.00 0.00 H new ATOM 0 HA LEU A 37 13.435 -9.882 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.051 -8.898 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.571 -9.381 6.330 1.00 0.00 H new ATOM 0 HG LEU A 37 12.939 -7.083 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.392 -5.581 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.400 -6.619 7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.122 -6.992 7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.119 -6.381 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.877 -7.824 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.657 -8.003 3.761 1.00 0.00 H new ATOM 459 N ASN A 38 11.779 -11.305 6.693 1.00 0.00 N ATOM 460 CA ASN A 38 11.505 -12.586 7.335 1.00 0.00 C ATOM 461 C ASN A 38 11.128 -13.642 6.301 1.00 0.00 C ATOM 462 O ASN A 38 11.447 -14.820 6.457 1.00 0.00 O ATOM 463 CB ASN A 38 10.381 -12.435 8.361 1.00 0.00 C ATOM 464 CG ASN A 38 10.898 -12.055 9.735 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.987 -11.295 9.767 1.00 0.00 O flip ATOM 466 ND2 ASN A 38 10.327 -12.441 10.755 1.00 0.00 N flip ATOM 0 H ASN A 38 11.239 -10.523 7.064 1.00 0.00 H new ATOM 0 HA ASN A 38 12.412 -12.911 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.679 -11.675 8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.828 -13.372 8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.493 -13.024 10.683 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.688 -12.178 11.672 1.00 0.00 H new ATOM 473 N ALA A 39 10.446 -13.211 5.244 1.00 0.00 N ATOM 474 CA ALA A 39 10.027 -14.119 4.184 1.00 0.00 C ATOM 475 C ALA A 39 11.232 -14.759 3.501 1.00 0.00 C ATOM 476 O ALA A 39 11.357 -15.982 3.461 1.00 0.00 O ATOM 477 CB ALA A 39 9.172 -13.381 3.165 1.00 0.00 C ATOM 0 H ALA A 39 10.172 -12.239 5.100 1.00 0.00 H new ATOM 0 HA ALA A 39 9.432 -14.914 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.866 -14.071 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.288 -12.976 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.749 -12.566 2.728 1.00 0.00 H new ATOM 483 N GLY A 40 12.116 -13.923 2.965 1.00 0.00 N ATOM 484 CA GLY A 40 13.298 -14.427 2.291 1.00 0.00 C ATOM 485 C GLY A 40 13.476 -13.829 0.909 1.00 0.00 C ATOM 486 O GLY A 40 14.414 -13.069 0.671 1.00 0.00 O ATOM 0 H GLY A 40 12.035 -12.906 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.178 -14.207 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.231 -15.512 2.208 1.00 0.00 H new ATOM 490 N SER A 41 12.575 -14.175 -0.004 1.00 0.00 N ATOM 491 CA SER A 41 12.640 -13.672 -1.371 1.00 0.00 C ATOM 492 C SER A 41 11.319 -13.903 -2.098 1.00 0.00 C ATOM 493 O SER A 41 10.624 -14.887 -1.849 1.00 0.00 O ATOM 494 CB SER A 41 13.780 -14.351 -2.133 1.00 0.00 C ATOM 495 OG SER A 41 14.993 -13.634 -1.980 1.00 0.00 O ATOM 0 H SER A 41 11.791 -14.802 0.178 1.00 0.00 H new ATOM 0 HA SER A 41 12.829 -12.599 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.908 -15.371 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.525 -14.419 -3.191 1.00 0.00 H new ATOM 0 HG SER A 41 15.057 -13.292 -1.064 1.00 0.00 H new ATOM 501 N GLY A 42 10.979 -12.988 -3.000 1.00 0.00 N ATOM 502 CA GLY A 42 9.742 -13.108 -3.750 1.00 0.00 C ATOM 503 C GLY A 42 9.233 -11.770 -4.248 1.00 0.00 C ATOM 504 O GLY A 42 9.719 -10.720 -3.831 1.00 0.00 O ATOM 0 H GLY A 42 11.538 -12.165 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.899 -13.772 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.982 -13.570 -3.120 1.00 0.00 H new ATOM 508 N ALA A 43 8.251 -11.808 -5.143 1.00 0.00 N ATOM 509 CA ALA A 43 7.675 -10.589 -5.697 1.00 0.00 C ATOM 510 C ALA A 43 6.562 -10.052 -4.803 1.00 0.00 C ATOM 511 O ALA A 43 6.020 -10.776 -3.966 1.00 0.00 O ATOM 512 CB ALA A 43 7.149 -10.845 -7.101 1.00 0.00 C ATOM 0 H ALA A 43 7.838 -12.670 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 43 8.461 -9.835 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.722 -9.926 -7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.967 -11.175 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.381 -11.618 -7.067 1.00 0.00 H new ATOM 518 N LEU A 44 6.227 -8.780 -4.984 1.00 0.00 N ATOM 519 CA LEU A 44 5.178 -8.145 -4.194 1.00 0.00 C ATOM 520 C LEU A 44 4.210 -7.377 -5.088 1.00 0.00 C ATOM 521 O LEU A 44 4.620 -6.741 -6.060 1.00 0.00 O ATOM 522 CB LEU A 44 5.793 -7.201 -3.159 1.00 0.00 C ATOM 523 CG LEU A 44 4.822 -6.254 -2.453 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.006 -7.005 -1.412 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.575 -5.098 -1.811 1.00 0.00 C ATOM 0 H LEU A 44 6.667 -8.167 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 44 4.622 -8.928 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.297 -7.802 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.559 -6.602 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 44 4.137 -5.846 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.321 -6.315 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.437 -7.797 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.675 -7.442 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.868 -4.435 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.284 -5.487 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.114 -4.543 -2.579 1.00 0.00 H new ATOM 537 N SER A 45 2.926 -7.439 -4.753 1.00 0.00 N ATOM 538 CA SER A 45 1.900 -6.750 -5.527 1.00 0.00 C ATOM 539 C SER A 45 1.140 -5.753 -4.657 1.00 0.00 C ATOM 540 O SER A 45 0.611 -6.108 -3.603 1.00 0.00 O ATOM 541 CB SER A 45 0.924 -7.761 -6.133 1.00 0.00 C ATOM 542 OG SER A 45 0.193 -7.186 -7.203 1.00 0.00 O ATOM 0 H SER A 45 2.571 -7.959 -3.951 1.00 0.00 H new ATOM 0 HA SER A 45 2.393 -6.203 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.473 -8.632 -6.490 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.235 -8.112 -5.365 1.00 0.00 H new ATOM 0 HG SER A 45 -0.422 -7.852 -7.574 1.00 0.00 H new ATOM 548 N VAL A 46 1.092 -4.503 -5.105 1.00 0.00 N ATOM 549 CA VAL A 46 0.397 -3.453 -4.369 1.00 0.00 C ATOM 550 C VAL A 46 -0.661 -2.781 -5.238 1.00 0.00 C ATOM 551 O VAL A 46 -0.454 -2.565 -6.433 1.00 0.00 O ATOM 552 CB VAL A 46 1.379 -2.384 -3.856 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.635 -1.295 -3.098 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.447 -3.019 -2.979 1.00 0.00 C ATOM 0 H VAL A 46 1.526 -4.192 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.087 -3.930 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 46 1.870 -1.926 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.345 -0.548 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.089 -0.821 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.115 -1.735 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.132 -2.249 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.975 -3.505 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.000 -3.759 -3.557 1.00 0.00 H new ATOM 564 N THR A 47 -1.796 -2.451 -4.629 1.00 0.00 N ATOM 565 CA THR A 47 -2.887 -1.804 -5.347 1.00 0.00 C ATOM 566 C THR A 47 -3.810 -1.059 -4.388 1.00 0.00 C ATOM 567 O THR A 47 -4.083 -1.530 -3.283 1.00 0.00 O ATOM 568 CB THR A 47 -3.715 -2.824 -6.150 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.036 -3.951 -5.326 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.953 -3.290 -7.381 1.00 0.00 C ATOM 0 H THR A 47 -1.983 -2.621 -3.641 1.00 0.00 H new ATOM 0 HA THR A 47 -2.433 -1.093 -6.037 1.00 0.00 H new ATOM 0 HB THR A 47 -4.635 -2.338 -6.474 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.564 -4.594 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.558 -4.010 -7.932 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.735 -2.434 -8.020 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.019 -3.760 -7.074 1.00 0.00 H new ATOM 578 N ILE A 48 -4.288 0.103 -4.818 1.00 0.00 N ATOM 579 CA ILE A 48 -5.182 0.911 -3.997 1.00 0.00 C ATOM 580 C ILE A 48 -6.488 1.200 -4.729 1.00 0.00 C ATOM 581 O ILE A 48 -6.488 1.532 -5.914 1.00 0.00 O ATOM 582 CB ILE A 48 -4.526 2.245 -3.596 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.224 1.990 -2.833 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.484 3.075 -2.755 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.415 3.243 -2.581 1.00 0.00 C ATOM 0 H ILE A 48 -4.072 0.506 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.392 0.334 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.291 2.803 -4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.458 1.521 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.616 1.282 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.006 4.015 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.387 3.282 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.747 2.524 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.507 2.986 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.149 3.702 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.005 3.945 -1.992 1.00 0.00 H new ATOM 597 N ASP A 49 -7.601 1.073 -4.014 1.00 0.00 N ATOM 598 CA ASP A 49 -8.915 1.323 -4.594 1.00 0.00 C ATOM 599 C ASP A 49 -9.761 2.193 -3.668 1.00 0.00 C ATOM 600 O ASP A 49 -10.017 1.830 -2.521 1.00 0.00 O ATOM 601 CB ASP A 49 -9.634 0.001 -4.870 1.00 0.00 C ATOM 602 CG ASP A 49 -10.612 0.104 -6.024 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.167 0.391 -7.155 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.822 -0.103 -5.796 1.00 0.00 O ATOM 0 H ASP A 49 -7.619 0.798 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.775 1.855 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.897 -0.771 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.167 -0.314 -3.973 1.00 0.00 H new ATOM 609 N GLY A 50 -10.191 3.344 -4.176 1.00 0.00 N ATOM 610 CA GLY A 50 -11.001 4.248 -3.381 1.00 0.00 C ATOM 611 C GLY A 50 -12.002 5.018 -4.220 1.00 0.00 C ATOM 612 O GLY A 50 -12.215 4.725 -5.397 1.00 0.00 O ATOM 0 H GLY A 50 -9.993 3.666 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.532 3.679 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.351 4.951 -2.860 1.00 0.00 H new ATOM 616 N PRO A 51 -12.638 6.029 -3.609 1.00 0.00 N ATOM 617 CA PRO A 51 -13.633 6.864 -4.289 1.00 0.00 C ATOM 618 C PRO A 51 -13.008 7.767 -5.346 1.00 0.00 C ATOM 619 O PRO A 51 -13.713 8.399 -6.133 1.00 0.00 O ATOM 620 CB PRO A 51 -14.228 7.701 -3.154 1.00 0.00 C ATOM 621 CG PRO A 51 -13.158 7.750 -2.118 1.00 0.00 C ATOM 622 CD PRO A 51 -12.434 6.435 -2.208 1.00 0.00 C ATOM 0 HA PRO A 51 -14.368 6.265 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.493 8.701 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.138 7.247 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.478 8.583 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.583 7.894 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.376 6.542 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.844 5.702 -1.513 1.00 0.00 H new ATOM 630 N SER A 52 -11.680 7.823 -5.359 1.00 0.00 N ATOM 631 CA SER A 52 -10.959 8.652 -6.318 1.00 0.00 C ATOM 632 C SER A 52 -9.552 8.112 -6.554 1.00 0.00 C ATOM 633 O SER A 52 -8.828 7.797 -5.609 1.00 0.00 O ATOM 634 CB SER A 52 -10.886 10.097 -5.822 1.00 0.00 C ATOM 635 OG SER A 52 -12.080 10.800 -6.120 1.00 0.00 O ATOM 0 H SER A 52 -11.082 7.304 -4.716 1.00 0.00 H new ATOM 0 HA SER A 52 -11.502 8.627 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.713 10.107 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.038 10.601 -6.285 1.00 0.00 H new ATOM 0 HG SER A 52 -12.816 10.163 -6.229 1.00 0.00 H new ATOM 641 N LYS A 53 -9.171 8.006 -7.823 1.00 0.00 N ATOM 642 CA LYS A 53 -7.850 7.505 -8.186 1.00 0.00 C ATOM 643 C LYS A 53 -6.768 8.148 -7.324 1.00 0.00 C ATOM 644 O LYS A 53 -6.802 9.351 -7.062 1.00 0.00 O ATOM 645 CB LYS A 53 -7.568 7.778 -9.665 1.00 0.00 C ATOM 646 CG LYS A 53 -6.345 7.050 -10.195 1.00 0.00 C ATOM 647 CD LYS A 53 -6.481 6.736 -11.676 1.00 0.00 C ATOM 648 CE LYS A 53 -6.042 7.911 -12.537 1.00 0.00 C ATOM 649 NZ LYS A 53 -7.119 8.930 -12.675 1.00 0.00 N ATOM 0 H LYS A 53 -9.758 8.260 -8.617 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.836 6.429 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.438 7.485 -10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.433 8.850 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.457 7.661 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.201 6.124 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.880 5.860 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.517 6.485 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.159 8.374 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.755 7.550 -13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.949 9.502 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.040 8.453 -12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.122 9.548 -11.838 1.00 0.00 H new ATOM 663 N VAL A 54 -5.808 7.340 -6.888 1.00 0.00 N ATOM 664 CA VAL A 54 -4.714 7.831 -6.058 1.00 0.00 C ATOM 665 C VAL A 54 -3.367 7.605 -6.735 1.00 0.00 C ATOM 666 O VAL A 54 -3.166 6.604 -7.421 1.00 0.00 O ATOM 667 CB VAL A 54 -4.704 7.145 -4.679 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.906 7.584 -3.855 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.680 5.632 -4.837 1.00 0.00 C ATOM 0 H VAL A 54 -5.765 6.342 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.875 8.901 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.801 7.447 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.882 7.089 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.875 8.664 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.824 7.314 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.673 5.163 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.564 5.309 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.785 5.338 -5.385 1.00 0.00 H new ATOM 679 N GLN A 55 -2.446 8.543 -6.536 1.00 0.00 N ATOM 680 CA GLN A 55 -1.117 8.447 -7.128 1.00 0.00 C ATOM 681 C GLN A 55 -0.135 7.800 -6.157 1.00 0.00 C ATOM 682 O GLN A 55 0.384 8.456 -5.253 1.00 0.00 O ATOM 683 CB GLN A 55 -0.614 9.833 -7.533 1.00 0.00 C ATOM 684 CG GLN A 55 0.459 9.801 -8.609 1.00 0.00 C ATOM 685 CD GLN A 55 1.175 11.128 -8.759 1.00 0.00 C ATOM 686 OE1 GLN A 55 1.273 11.905 -7.809 1.00 0.00 O ATOM 687 NE2 GLN A 55 1.681 11.396 -9.958 1.00 0.00 N ATOM 0 H GLN A 55 -2.596 9.378 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.187 7.821 -8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.456 10.426 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.218 10.338 -6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.186 9.025 -8.369 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.005 9.528 -9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.577 10.723 -10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.174 12.274 -10.119 1.00 0.00 H new ATOM 696 N LEU A 56 0.116 6.510 -6.349 1.00 0.00 N ATOM 697 CA LEU A 56 1.037 5.773 -5.490 1.00 0.00 C ATOM 698 C LEU A 56 2.443 5.763 -6.081 1.00 0.00 C ATOM 699 O LEU A 56 2.625 5.978 -7.280 1.00 0.00 O ATOM 700 CB LEU A 56 0.544 4.338 -5.293 1.00 0.00 C ATOM 701 CG LEU A 56 0.887 3.351 -6.409 1.00 0.00 C ATOM 702 CD1 LEU A 56 0.953 1.933 -5.865 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.131 3.446 -7.536 1.00 0.00 C ATOM 0 H LEU A 56 -0.305 5.952 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 56 1.073 6.274 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.958 3.958 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.539 4.360 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 56 1.867 3.610 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.198 1.244 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.721 1.875 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.012 1.662 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.129 2.737 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.124 3.213 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.128 4.457 -7.944 1.00 0.00 H new ATOM 715 N ASP A 57 3.433 5.510 -5.233 1.00 0.00 N ATOM 716 CA ASP A 57 4.823 5.468 -5.672 1.00 0.00 C ATOM 717 C ASP A 57 5.577 4.336 -4.981 1.00 0.00 C ATOM 718 O ASP A 57 5.719 4.326 -3.758 1.00 0.00 O ATOM 719 CB ASP A 57 5.511 6.804 -5.386 1.00 0.00 C ATOM 720 CG ASP A 57 6.675 7.068 -6.320 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.514 6.862 -7.541 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.749 7.478 -5.831 1.00 0.00 O ATOM 0 H ASP A 57 3.299 5.331 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 57 4.833 5.285 -6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.784 7.611 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.867 6.813 -4.356 1.00 0.00 H new ATOM 727 N CYS A 58 6.058 3.383 -5.772 1.00 0.00 N ATOM 728 CA CYS A 58 6.796 2.245 -5.237 1.00 0.00 C ATOM 729 C CYS A 58 8.280 2.571 -5.107 1.00 0.00 C ATOM 730 O CYS A 58 8.877 3.163 -6.007 1.00 0.00 O ATOM 731 CB CYS A 58 6.608 1.021 -6.135 1.00 0.00 C ATOM 732 SG CYS A 58 7.271 1.221 -7.805 1.00 0.00 S ATOM 0 H CYS A 58 5.950 3.376 -6.786 1.00 0.00 H new ATOM 0 HA CYS A 58 6.403 2.023 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.088 0.162 -5.666 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.544 0.794 -6.203 1.00 0.00 H new ATOM 0 HG CYS A 58 8.301 2.013 -7.771 1.00 0.00 H new ATOM 738 N ARG A 59 8.869 2.184 -3.981 1.00 0.00 N ATOM 739 CA ARG A 59 10.283 2.438 -3.731 1.00 0.00 C ATOM 740 C ARG A 59 10.931 1.255 -3.018 1.00 0.00 C ATOM 741 O ARG A 59 10.266 0.268 -2.704 1.00 0.00 O ATOM 742 CB ARG A 59 10.455 3.707 -2.895 1.00 0.00 C ATOM 743 CG ARG A 59 10.283 4.990 -3.692 1.00 0.00 C ATOM 744 CD ARG A 59 11.573 5.390 -4.390 1.00 0.00 C ATOM 745 NE ARG A 59 11.377 6.512 -5.303 1.00 0.00 N ATOM 746 CZ ARG A 59 12.253 6.860 -6.239 1.00 0.00 C ATOM 747 NH1 ARG A 59 13.379 6.176 -6.385 1.00 0.00 N ATOM 748 NH2 ARG A 59 12.002 7.894 -7.032 1.00 0.00 N ATOM 0 H ARG A 59 8.389 1.693 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 59 10.777 2.575 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.731 3.696 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.446 3.701 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.494 4.857 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.964 5.793 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.321 5.657 -3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.965 4.537 -4.943 1.00 0.00 H new ATOM 0 HE ARG A 59 10.520 7.059 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.575 5.380 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.050 6.446 -7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.136 8.422 -6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.675 8.161 -7.751 1.00 0.00 H new ATOM 762 N GLU A 60 12.232 1.361 -2.768 1.00 0.00 N ATOM 763 CA GLU A 60 12.969 0.299 -2.094 1.00 0.00 C ATOM 764 C GLU A 60 13.502 0.777 -0.746 1.00 0.00 C ATOM 765 O GLU A 60 14.169 1.808 -0.661 1.00 0.00 O ATOM 766 CB GLU A 60 14.127 -0.184 -2.970 1.00 0.00 C ATOM 767 CG GLU A 60 13.679 -0.956 -4.200 1.00 0.00 C ATOM 768 CD GLU A 60 14.844 -1.444 -5.039 1.00 0.00 C ATOM 769 OE1 GLU A 60 15.695 -2.182 -4.498 1.00 0.00 O ATOM 770 OE2 GLU A 60 14.905 -1.090 -6.235 1.00 0.00 O ATOM 0 H GLU A 60 12.797 2.171 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 60 12.283 -0.530 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.716 0.677 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.783 -0.817 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.077 -1.810 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.038 -0.320 -4.810 1.00 0.00 H new ATOM 777 N CYS A 61 13.202 0.020 0.304 1.00 0.00 N ATOM 778 CA CYS A 61 13.649 0.366 1.648 1.00 0.00 C ATOM 779 C CYS A 61 14.456 -0.772 2.263 1.00 0.00 C ATOM 780 O CYS A 61 14.395 -1.919 1.820 1.00 0.00 O ATOM 781 CB CYS A 61 12.449 0.695 2.538 1.00 0.00 C ATOM 782 SG CYS A 61 11.981 2.442 2.529 1.00 0.00 S ATOM 0 H CYS A 61 12.651 -0.837 0.250 1.00 0.00 H new ATOM 0 HA CYS A 61 14.291 1.244 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 61 11.596 0.099 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 61 12.676 0.396 3.561 1.00 0.00 H new ATOM 0 HG CYS A 61 10.956 2.621 3.309 1.00 0.00 H new ATOM 788 N PRO A 62 15.234 -0.450 3.307 1.00 0.00 N ATOM 789 CA PRO A 62 16.069 -1.432 4.004 1.00 0.00 C ATOM 790 C PRO A 62 15.243 -2.434 4.803 1.00 0.00 C ATOM 791 O PRO A 62 15.776 -3.408 5.334 1.00 0.00 O ATOM 792 CB PRO A 62 16.920 -0.572 4.942 1.00 0.00 C ATOM 793 CG PRO A 62 16.109 0.658 5.167 1.00 0.00 C ATOM 794 CD PRO A 62 15.356 0.897 3.888 1.00 0.00 C ATOM 0 HA PRO A 62 16.653 -2.036 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.122 -1.090 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.885 -0.334 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.424 0.526 6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.748 1.508 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.380 1.344 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.895 1.573 3.225 1.00 0.00 H new ATOM 802 N GLU A 63 13.939 -2.188 4.884 1.00 0.00 N ATOM 803 CA GLU A 63 13.040 -3.069 5.619 1.00 0.00 C ATOM 804 C GLU A 63 12.288 -3.996 4.668 1.00 0.00 C ATOM 805 O GLU A 63 11.733 -5.012 5.083 1.00 0.00 O ATOM 806 CB GLU A 63 12.044 -2.248 6.441 1.00 0.00 C ATOM 807 CG GLU A 63 12.638 -1.667 7.713 1.00 0.00 C ATOM 808 CD GLU A 63 13.279 -2.723 8.593 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.548 -3.611 9.082 1.00 0.00 O ATOM 810 OE2 GLU A 63 14.510 -2.662 8.793 1.00 0.00 O ATOM 0 H GLU A 63 13.482 -1.386 4.450 1.00 0.00 H new ATOM 0 HA GLU A 63 13.642 -3.678 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.660 -1.435 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.194 -2.879 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.383 -0.916 7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.856 -1.157 8.275 1.00 0.00 H new ATOM 817 N GLY A 64 12.276 -3.637 3.388 1.00 0.00 N ATOM 818 CA GLY A 64 11.590 -4.446 2.397 1.00 0.00 C ATOM 819 C GLY A 64 10.994 -3.612 1.280 1.00 0.00 C ATOM 820 O GLY A 64 11.719 -2.955 0.532 1.00 0.00 O ATOM 0 H GLY A 64 12.729 -2.801 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.289 -5.168 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.798 -5.016 2.883 1.00 0.00 H new ATOM 824 N HIS A 65 9.670 -3.639 1.164 1.00 0.00 N ATOM 825 CA HIS A 65 8.977 -2.881 0.129 1.00 0.00 C ATOM 826 C HIS A 65 8.231 -1.695 0.731 1.00 0.00 C ATOM 827 O HIS A 65 7.530 -1.833 1.734 1.00 0.00 O ATOM 828 CB HIS A 65 8.000 -3.783 -0.626 1.00 0.00 C ATOM 829 CG HIS A 65 8.672 -4.770 -1.530 1.00 0.00 C ATOM 830 ND1 HIS A 65 8.983 -4.496 -2.845 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.094 -6.036 -1.301 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.566 -5.550 -3.386 1.00 0.00 C ATOM 833 NE2 HIS A 65 9.646 -6.498 -2.470 1.00 0.00 N ATOM 0 H HIS A 65 9.056 -4.178 1.774 1.00 0.00 H new ATOM 0 HA HIS A 65 9.723 -2.502 -0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.386 -4.323 0.095 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.327 -3.162 -1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.012 -6.581 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.918 -5.624 -4.404 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.052 -7.423 -2.609 1.00 0.00 H new ATOM 842 N VAL A 66 8.388 -0.528 0.114 1.00 0.00 N ATOM 843 CA VAL A 66 7.729 0.683 0.589 1.00 0.00 C ATOM 844 C VAL A 66 6.937 1.353 -0.528 1.00 0.00 C ATOM 845 O VAL A 66 7.389 1.416 -1.672 1.00 0.00 O ATOM 846 CB VAL A 66 8.747 1.690 1.158 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.596 2.278 0.041 1.00 0.00 C ATOM 848 CG2 VAL A 66 8.034 2.788 1.932 1.00 0.00 C ATOM 0 H VAL A 66 8.966 -0.396 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 66 7.046 0.381 1.383 1.00 0.00 H new ATOM 0 HB VAL A 66 9.408 1.164 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.309 2.987 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.135 1.478 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.952 2.791 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.768 3.490 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.348 3.315 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.474 2.347 2.756 1.00 0.00 H new ATOM 858 N VAL A 67 5.754 1.854 -0.190 1.00 0.00 N ATOM 859 CA VAL A 67 4.899 2.521 -1.164 1.00 0.00 C ATOM 860 C VAL A 67 4.239 3.756 -0.561 1.00 0.00 C ATOM 861 O VAL A 67 3.686 3.705 0.538 1.00 0.00 O ATOM 862 CB VAL A 67 3.805 1.574 -1.693 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.961 2.271 -2.750 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.426 0.301 -2.248 1.00 0.00 C ATOM 0 H VAL A 67 5.365 1.811 0.752 1.00 0.00 H new ATOM 0 HA VAL A 67 5.539 2.823 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 67 3.152 1.301 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.194 1.587 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.487 3.151 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.597 2.575 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.639 -0.357 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.102 0.552 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.982 -0.206 -1.460 1.00 0.00 H new ATOM 874 N THR A 68 4.299 4.867 -1.289 1.00 0.00 N ATOM 875 CA THR A 68 3.708 6.117 -0.826 1.00 0.00 C ATOM 876 C THR A 68 2.603 6.584 -1.768 1.00 0.00 C ATOM 877 O THR A 68 2.732 6.485 -2.988 1.00 0.00 O ATOM 878 CB THR A 68 4.767 7.228 -0.704 1.00 0.00 C ATOM 879 OG1 THR A 68 5.874 6.766 0.079 1.00 0.00 O ATOM 880 CG2 THR A 68 4.173 8.474 -0.066 1.00 0.00 C ATOM 0 H THR A 68 4.751 4.927 -2.202 1.00 0.00 H new ATOM 0 HA THR A 68 3.284 5.921 0.159 1.00 0.00 H new ATOM 0 HB THR A 68 5.112 7.482 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.544 7.478 0.151 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.940 9.245 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.350 8.840 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.803 8.232 0.930 1.00 0.00 H new ATOM 888 N TYR A 69 1.520 7.093 -1.193 1.00 0.00 N ATOM 889 CA TYR A 69 0.392 7.575 -1.982 1.00 0.00 C ATOM 890 C TYR A 69 -0.236 8.807 -1.338 1.00 0.00 C ATOM 891 O TYR A 69 -0.034 9.076 -0.153 1.00 0.00 O ATOM 892 CB TYR A 69 -0.659 6.474 -2.133 1.00 0.00 C ATOM 893 CG TYR A 69 -1.429 6.192 -0.862 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.476 7.015 -0.464 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.108 5.105 -0.058 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.181 6.762 0.696 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.809 4.844 1.103 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.845 5.676 1.476 1.00 0.00 C ATOM 899 OH TYR A 69 -3.545 5.420 2.633 1.00 0.00 O ATOM 0 H TYR A 69 1.399 7.183 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 69 0.763 7.852 -2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.361 6.758 -2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.168 5.558 -2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.743 7.867 -1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.296 4.453 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.992 7.412 0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.548 3.994 1.716 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.102 4.702 3.131 1.00 0.00 H new ATOM 909 N THR A 70 -1.001 9.555 -2.128 1.00 0.00 N ATOM 910 CA THR A 70 -1.659 10.760 -1.638 1.00 0.00 C ATOM 911 C THR A 70 -3.155 10.726 -1.929 1.00 0.00 C ATOM 912 O THR A 70 -3.587 10.659 -3.080 1.00 0.00 O ATOM 913 CB THR A 70 -1.053 12.027 -2.270 1.00 0.00 C ATOM 914 OG1 THR A 70 0.333 12.131 -1.928 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.791 13.272 -1.800 1.00 0.00 C ATOM 0 H THR A 70 -1.180 9.347 -3.110 1.00 0.00 H new ATOM 0 HA THR A 70 -1.502 10.790 -0.560 1.00 0.00 H new ATOM 0 HB THR A 70 -1.155 11.950 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.711 12.938 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.345 14.154 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.840 13.204 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.717 13.351 -0.715 1.00 0.00 H new ATOM 923 N PRO A 71 -3.967 10.774 -0.862 1.00 0.00 N ATOM 924 CA PRO A 71 -5.428 10.751 -0.978 1.00 0.00 C ATOM 925 C PRO A 71 -5.982 12.038 -1.580 1.00 0.00 C ATOM 926 O PRO A 71 -5.375 13.102 -1.459 1.00 0.00 O ATOM 927 CB PRO A 71 -5.896 10.595 0.471 1.00 0.00 C ATOM 928 CG PRO A 71 -4.787 11.159 1.291 1.00 0.00 C ATOM 929 CD PRO A 71 -3.521 10.855 0.539 1.00 0.00 C ATOM 0 HA PRO A 71 -5.772 9.956 -1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.829 11.131 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.078 9.549 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.911 12.233 1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.769 10.710 2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.774 11.636 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.071 9.920 0.872 1.00 0.00 H new ATOM 937 N MET A 72 -7.137 11.933 -2.229 1.00 0.00 N ATOM 938 CA MET A 72 -7.772 13.090 -2.849 1.00 0.00 C ATOM 939 C MET A 72 -9.175 13.305 -2.288 1.00 0.00 C ATOM 940 O MET A 72 -9.696 14.419 -2.307 1.00 0.00 O ATOM 941 CB MET A 72 -7.840 12.909 -4.367 1.00 0.00 C ATOM 942 CG MET A 72 -6.586 12.288 -4.961 1.00 0.00 C ATOM 943 SD MET A 72 -5.366 13.522 -5.452 1.00 0.00 S ATOM 944 CE MET A 72 -6.222 14.326 -6.804 1.00 0.00 C ATOM 0 H MET A 72 -7.652 11.059 -2.339 1.00 0.00 H new ATOM 0 HA MET A 72 -7.169 13.969 -2.622 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.697 12.282 -4.612 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.011 13.879 -4.833 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.140 11.612 -4.232 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.859 11.687 -5.828 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.989 15.391 -6.800 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.902 13.888 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.297 14.189 -6.687 1.00 0.00 H new ATOM 954 N ALA A 73 -9.779 12.231 -1.790 1.00 0.00 N ATOM 955 CA ALA A 73 -11.120 12.304 -1.222 1.00 0.00 C ATOM 956 C ALA A 73 -11.234 11.437 0.027 1.00 0.00 C ATOM 957 O ALA A 73 -10.627 10.371 0.130 1.00 0.00 O ATOM 958 CB ALA A 73 -12.154 11.883 -2.256 1.00 0.00 C ATOM 0 H ALA A 73 -9.361 11.301 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.311 13.338 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.151 11.942 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.096 12.546 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.957 10.859 -2.572 1.00 0.00 H new ATOM 964 N PRO A 74 -12.031 11.903 1.000 1.00 0.00 N ATOM 965 CA PRO A 74 -12.244 11.185 2.260 1.00 0.00 C ATOM 966 C PRO A 74 -13.057 9.909 2.071 1.00 0.00 C ATOM 967 O PRO A 74 -14.255 9.960 1.794 1.00 0.00 O ATOM 968 CB PRO A 74 -13.019 12.191 3.115 1.00 0.00 C ATOM 969 CG PRO A 74 -13.706 13.074 2.131 1.00 0.00 C ATOM 970 CD PRO A 74 -12.786 13.166 0.945 1.00 0.00 C ATOM 0 HA PRO A 74 -11.305 10.859 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.736 11.689 3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.350 12.761 3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.673 12.660 1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.895 14.060 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.341 13.262 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.127 14.031 1.014 1.00 0.00 H new ATOM 978 N GLY A 75 -12.398 8.765 2.222 1.00 0.00 N ATOM 979 CA GLY A 75 -13.076 7.491 2.064 1.00 0.00 C ATOM 980 C GLY A 75 -12.228 6.322 2.523 1.00 0.00 C ATOM 981 O GLY A 75 -11.186 6.510 3.150 1.00 0.00 O ATOM 0 H GLY A 75 -11.406 8.697 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.007 7.505 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.343 7.353 1.016 1.00 0.00 H new ATOM 985 N ASN A 76 -12.676 5.110 2.212 1.00 0.00 N ATOM 986 CA ASN A 76 -11.952 3.904 2.599 1.00 0.00 C ATOM 987 C ASN A 76 -11.228 3.297 1.401 1.00 0.00 C ATOM 988 O ASN A 76 -11.840 2.636 0.562 1.00 0.00 O ATOM 989 CB ASN A 76 -12.913 2.878 3.202 1.00 0.00 C ATOM 990 CG ASN A 76 -14.191 2.739 2.396 1.00 0.00 C ATOM 991 OD1 ASN A 76 -15.320 3.054 3.019 1.00 0.00 O flip ATOM 992 ND2 ASN A 76 -14.162 2.354 1.227 1.00 0.00 N flip ATOM 0 H ASN A 76 -13.537 4.937 1.693 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.210 4.180 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.416 1.909 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.160 3.171 4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.271 2.123 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.029 2.266 0.697 1.00 0.00 H new ATOM 999 N TYR A 77 -9.921 3.526 1.328 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.113 3.003 0.233 1.00 0.00 C ATOM 1001 C TYR A 77 -8.605 1.601 0.552 1.00 0.00 C ATOM 1002 O TYR A 77 -7.852 1.403 1.507 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.933 3.935 -0.047 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.343 5.288 -0.581 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.802 6.284 0.273 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.273 5.572 -1.939 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -9.179 7.522 -0.210 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.646 6.808 -2.431 1.00 0.00 C ATOM 1009 CZ TYR A 77 -9.098 7.779 -1.563 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.472 9.011 -2.049 1.00 0.00 O ATOM 0 H TYR A 77 -9.399 4.071 2.015 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.742 2.947 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.365 4.074 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.266 3.457 -0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.865 6.086 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.921 4.813 -2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.535 8.284 0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.584 7.012 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.943 9.509 -1.349 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.020 0.630 -0.254 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.607 -0.755 -0.060 1.00 0.00 C ATOM 1022 C LEU A 78 -7.175 -0.969 -0.541 1.00 0.00 C ATOM 1023 O LEU A 78 -6.875 -0.799 -1.723 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.553 -1.699 -0.803 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.682 -3.110 -0.228 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.352 -3.844 -0.312 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.174 -3.057 1.211 1.00 0.00 C ATOM 0 H LEU A 78 -9.643 0.777 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.649 -0.974 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.544 -1.245 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.216 -1.779 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.414 -3.658 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.463 -4.846 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.040 -3.914 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.599 -3.298 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.260 -4.070 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.466 -2.492 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.149 -2.571 1.244 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.296 -1.345 0.382 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.897 -1.586 0.051 1.00 0.00 C ATOM 1041 C ILE A 79 -4.584 -3.078 0.040 1.00 0.00 C ATOM 1042 O ILE A 79 -4.502 -3.713 1.091 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.954 -0.882 1.044 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.158 0.634 0.988 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.506 -1.238 0.744 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.547 1.370 2.160 1.00 0.00 C ATOM 0 H ILE A 79 -6.528 -1.489 1.365 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.733 -1.176 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.190 -1.225 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.725 1.017 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.226 0.848 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.852 -0.732 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.371 -2.316 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.256 -0.921 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.730 2.439 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.997 1.015 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.473 1.187 2.185 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.407 -3.631 -1.155 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.098 -5.048 -1.303 1.00 0.00 C ATOM 1060 C ALA A 80 -2.591 -5.280 -1.350 1.00 0.00 C ATOM 1061 O ALA A 80 -1.864 -4.557 -2.031 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.758 -5.604 -2.556 1.00 0.00 C ATOM 0 H ALA A 80 -4.472 -3.119 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.493 -5.573 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.519 -6.663 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.839 -5.481 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.390 -5.067 -3.430 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.130 -6.290 -0.620 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.710 -6.616 -0.579 1.00 0.00 C ATOM 1070 C ILE A 81 -0.489 -8.122 -0.674 1.00 0.00 C ATOM 1071 O ILE A 81 -0.839 -8.871 0.238 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.049 -6.091 0.709 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.226 -4.575 0.818 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.427 -6.461 0.735 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.086 -4.028 2.193 1.00 0.00 C ATOM 0 H ILE A 81 -2.719 -6.896 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.249 -6.129 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.536 -6.557 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.420 -4.088 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.253 -4.317 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.881 -6.083 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.531 -7.545 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.928 -6.020 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.061 -2.948 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.577 -4.487 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.121 -4.254 2.448 1.00 0.00 H new ATOM 1087 N LYS A 82 0.096 -8.560 -1.784 1.00 0.00 N ATOM 1088 CA LYS A 82 0.368 -9.976 -1.998 1.00 0.00 C ATOM 1089 C LYS A 82 1.869 -10.236 -2.077 1.00 0.00 C ATOM 1090 O LYS A 82 2.657 -9.318 -2.310 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.312 -10.459 -3.281 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.810 -10.206 -3.307 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.528 -11.208 -4.195 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.786 -10.610 -4.807 1.00 0.00 C ATOM 1095 NZ LYS A 82 -3.467 -9.552 -5.805 1.00 0.00 N ATOM 0 H LYS A 82 0.391 -7.954 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.035 -10.530 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.147 -9.961 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.130 -11.527 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.208 -10.265 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.003 -9.195 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.858 -11.538 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.790 -12.091 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.367 -11.398 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.409 -10.189 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.265 -9.444 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.299 -8.651 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.614 -9.821 -6.335 1.00 0.00 H new ATOM 1109 N TYR A 83 2.259 -11.491 -1.884 1.00 0.00 N ATOM 1110 CA TYR A 83 3.666 -11.871 -1.933 1.00 0.00 C ATOM 1111 C TYR A 83 3.820 -13.346 -2.291 1.00 0.00 C ATOM 1112 O TYR A 83 3.266 -14.219 -1.624 1.00 0.00 O ATOM 1113 CB TYR A 83 4.339 -11.587 -0.589 1.00 0.00 C ATOM 1114 CG TYR A 83 5.849 -11.542 -0.666 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.505 -10.429 -1.177 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.618 -12.612 -0.226 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.884 -10.384 -1.250 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.998 -12.575 -0.294 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.626 -11.460 -0.807 1.00 0.00 C ATOM 1120 OH TYR A 83 9.999 -11.418 -0.876 1.00 0.00 O ATOM 0 H TYR A 83 1.620 -12.263 -1.692 1.00 0.00 H new ATOM 0 HA TYR A 83 4.150 -11.276 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.975 -10.635 -0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.043 -12.355 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.927 -9.585 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.129 -13.487 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.378 -9.512 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.581 -13.415 0.053 1.00 0.00 H new ATOM 0 HH TYR A 83 10.271 -10.970 -1.704 1.00 0.00 H new ATOM 1130 N GLY A 84 4.578 -13.616 -3.349 1.00 0.00 N ATOM 1131 CA GLY A 84 4.793 -14.985 -3.778 1.00 0.00 C ATOM 1132 C GLY A 84 3.528 -15.819 -3.712 1.00 0.00 C ATOM 1133 O GLY A 84 3.504 -16.872 -3.076 1.00 0.00 O ATOM 0 H GLY A 84 5.047 -12.911 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.173 -14.987 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.559 -15.443 -3.152 1.00 0.00 H new ATOM 1137 N GLY A 85 2.474 -15.345 -4.369 1.00 0.00 N ATOM 1138 CA GLY A 85 1.214 -16.066 -4.367 1.00 0.00 C ATOM 1139 C GLY A 85 0.041 -15.184 -4.747 1.00 0.00 C ATOM 1140 O GLY A 85 0.005 -13.994 -4.435 1.00 0.00 O ATOM 0 H GLY A 85 2.470 -14.475 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.276 -16.902 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.042 -16.488 -3.377 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.946 -15.771 -5.440 1.00 0.00 N ATOM 1145 CA PRO A 86 -2.143 -15.049 -5.880 1.00 0.00 C ATOM 1146 C PRO A 86 -3.052 -14.671 -4.715 1.00 0.00 C ATOM 1147 O PRO A 86 -4.006 -13.912 -4.883 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.843 -16.050 -6.802 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.378 -17.386 -6.334 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.969 -17.186 -5.847 1.00 0.00 C ATOM 0 HA PRO A 86 -1.895 -14.105 -6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.927 -15.961 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.576 -15.881 -7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.017 -17.764 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.412 -18.116 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.734 -17.848 -5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.240 -17.390 -6.631 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.749 -15.205 -3.536 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.541 -14.924 -2.345 1.00 0.00 C ATOM 1160 C GLN A 87 -2.969 -13.734 -1.580 1.00 0.00 C ATOM 1161 O GLN A 87 -1.895 -13.230 -1.909 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.589 -16.153 -1.436 1.00 0.00 C ATOM 1163 CG GLN A 87 -2.251 -16.492 -0.799 1.00 0.00 C ATOM 1164 CD GLN A 87 -2.225 -17.884 -0.200 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -3.269 -18.456 0.116 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -1.029 -18.438 -0.039 1.00 0.00 N ATOM 0 H GLN A 87 -1.961 -15.834 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.554 -14.677 -2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.324 -15.984 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.934 -17.010 -2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.465 -16.409 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.028 -15.762 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.190 -17.928 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.950 -19.373 0.360 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.694 -13.290 -0.559 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.258 -12.159 0.253 1.00 0.00 C ATOM 1177 C HIS A 88 -2.383 -12.627 1.412 1.00 0.00 C ATOM 1178 O HIS A 88 -2.463 -13.780 1.836 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.468 -11.393 0.790 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.129 -10.524 -0.235 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.562 -9.242 0.032 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.429 -10.758 -1.534 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.101 -8.726 -1.058 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.033 -9.625 -2.023 1.00 0.00 N ATOM 0 H HIS A 88 -4.586 -13.695 -0.274 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.668 -11.496 -0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.197 -12.106 1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.153 -10.774 1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.231 -11.666 -2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.525 -7.737 -1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.373 -9.499 -2.976 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.548 -11.725 1.918 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.659 -12.047 3.027 1.00 0.00 C ATOM 1195 C ILE A 89 -1.382 -11.928 4.364 1.00 0.00 C ATOM 1196 O ILE A 89 -2.453 -11.327 4.452 1.00 0.00 O ATOM 1197 CB ILE A 89 0.577 -11.128 3.042 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.156 -9.673 3.252 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.362 -11.276 1.746 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.222 -8.824 3.909 1.00 0.00 C ATOM 0 H ILE A 89 -1.469 -10.767 1.578 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.335 -13.078 2.882 1.00 0.00 H new ATOM 0 HB ILE A 89 1.221 -11.423 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.102 -9.235 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.745 -9.649 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.233 -10.621 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.689 -12.310 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.727 -11.004 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.854 -7.805 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.464 -9.237 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.117 -8.817 3.287 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.789 -12.503 5.405 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.375 -12.459 6.740 1.00 0.00 C ATOM 1214 C VAL A 90 -1.751 -11.034 7.128 1.00 0.00 C ATOM 1215 O VAL A 90 -0.883 -10.189 7.347 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.409 -13.030 7.796 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.935 -12.321 7.729 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.013 -12.914 9.187 1.00 0.00 C ATOM 0 H VAL A 90 0.097 -13.005 5.350 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.275 -13.074 6.712 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.247 -14.086 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.604 -12.738 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.371 -12.460 6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.795 -11.257 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.318 -13.322 9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.206 -11.865 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.949 -13.471 9.225 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.052 -10.772 7.212 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.520 -9.448 7.575 1.00 0.00 C ATOM 1230 C GLY A 91 -4.190 -8.733 6.418 1.00 0.00 C ATOM 1231 O GLY A 91 -5.228 -8.094 6.592 1.00 0.00 O ATOM 0 H GLY A 91 -3.790 -11.454 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.223 -9.529 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.678 -8.852 7.928 1.00 0.00 H new ATOM 1235 N SER A 92 -3.595 -8.839 5.235 1.00 0.00 N ATOM 1236 CA SER A 92 -4.138 -8.193 4.046 1.00 0.00 C ATOM 1237 C SER A 92 -5.466 -8.826 3.641 1.00 0.00 C ATOM 1238 O SER A 92 -5.750 -9.984 3.950 1.00 0.00 O ATOM 1239 CB SER A 92 -3.142 -8.286 2.889 1.00 0.00 C ATOM 1240 OG SER A 92 -2.067 -7.381 3.067 1.00 0.00 O ATOM 0 H SER A 92 -2.737 -9.366 5.074 1.00 0.00 H new ATOM 0 HA SER A 92 -4.313 -7.143 4.282 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.757 -9.303 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.651 -8.071 1.949 1.00 0.00 H new ATOM 0 HG SER A 92 -2.305 -6.721 3.751 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.299 -8.050 2.933 1.00 0.00 N ATOM 1247 CA PRO A 93 -5.972 -6.671 2.560 1.00 0.00 C ATOM 1248 C PRO A 93 -5.962 -5.732 3.762 1.00 0.00 C ATOM 1249 O PRO A 93 -6.169 -6.160 4.898 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.095 -6.289 1.592 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.236 -7.168 1.971 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.626 -8.459 2.442 1.00 0.00 C ATOM 0 HA PRO A 93 -4.974 -6.591 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.358 -5.236 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.797 -6.451 0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.837 -6.711 2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.898 -7.336 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.221 -8.921 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.549 -9.186 1.633 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.721 -4.451 3.504 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.684 -3.452 4.565 1.00 0.00 C ATOM 1262 C PHE A 94 -6.604 -2.279 4.240 1.00 0.00 C ATOM 1263 O PHE A 94 -6.473 -1.643 3.194 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.253 -2.950 4.773 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.374 -3.929 5.497 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.458 -4.070 6.873 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.463 -4.708 4.802 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.649 -4.969 7.541 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.652 -5.610 5.465 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.746 -5.741 6.837 1.00 0.00 C ATOM 0 H PHE A 94 -5.548 -4.080 2.569 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.034 -3.922 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.811 -2.725 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.282 -2.016 5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.164 -3.471 7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.386 -4.609 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.723 -5.068 8.614 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.946 -6.211 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.115 -6.446 7.358 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.536 -1.997 5.145 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.478 -0.901 4.957 1.00 0.00 C ATOM 1282 C LYS A 95 -7.911 0.405 5.505 1.00 0.00 C ATOM 1283 O LYS A 95 -7.531 0.485 6.673 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.807 -1.221 5.645 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.009 -0.576 4.976 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.310 -1.222 5.424 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.639 -2.450 4.590 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.705 -3.278 5.218 1.00 0.00 N ATOM 0 H LYS A 95 -7.658 -2.513 6.016 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.649 -0.781 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.947 -2.302 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.758 -0.890 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.030 0.488 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.913 -0.661 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.235 -1.504 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.122 -0.499 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.960 -2.138 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.740 -3.053 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.900 -4.105 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.389 -3.597 6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.571 -2.711 5.318 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.858 1.425 4.655 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.341 2.727 5.055 1.00 0.00 C ATOM 1304 C ALA A 96 -8.433 3.790 5.008 1.00 0.00 C ATOM 1305 O ALA A 96 -9.057 4.008 3.969 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.173 3.127 4.166 1.00 0.00 C ATOM 0 H ALA A 96 -8.167 1.374 3.684 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.990 2.650 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.797 4.102 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.378 2.386 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.506 3.180 3.129 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.660 4.450 6.139 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.677 5.491 6.227 1.00 0.00 C ATOM 1314 C LYS A 97 -9.035 6.872 6.309 1.00 0.00 C ATOM 1315 O LYS A 97 -8.404 7.216 7.309 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.570 5.258 7.448 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.528 6.403 7.727 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.259 6.209 9.045 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.534 7.037 9.102 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.515 6.617 8.064 1.00 0.00 N ATOM 0 H LYS A 97 -8.153 4.282 7.008 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.287 5.446 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.144 4.343 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.940 5.100 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.976 7.343 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.252 6.479 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.502 5.155 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.604 6.490 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.986 6.940 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.289 8.090 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.476 6.869 8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.301 7.100 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.455 5.588 7.925 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.202 7.661 5.252 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.641 9.006 5.206 1.00 0.00 C ATOM 1336 C VAL A 98 -9.678 10.048 5.609 1.00 0.00 C ATOM 1337 O VAL A 98 -10.808 10.038 5.119 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.109 9.345 3.801 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.539 10.755 3.771 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.062 8.329 3.369 1.00 0.00 C ATOM 0 H VAL A 98 -9.721 7.392 4.416 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.813 9.028 5.915 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.939 9.300 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.168 10.976 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.320 11.469 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.720 10.832 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.697 8.584 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.231 8.340 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.507 7.334 3.349 1.00 0.00 H new ATOM 1350 N THR A 99 -9.287 10.949 6.506 1.00 0.00 N ATOM 1351 CA THR A 99 -10.183 11.998 6.976 1.00 0.00 C ATOM 1352 C THR A 99 -9.827 13.344 6.356 1.00 0.00 C ATOM 1353 O THR A 99 -8.682 13.577 5.971 1.00 0.00 O ATOM 1354 CB THR A 99 -10.142 12.126 8.510 1.00 0.00 C ATOM 1355 OG1 THR A 99 -8.854 12.590 8.929 1.00 0.00 O ATOM 1356 CG2 THR A 99 -10.445 10.790 9.173 1.00 0.00 C ATOM 0 H THR A 99 -8.356 10.973 6.921 1.00 0.00 H new ATOM 0 HA THR A 99 -11.190 11.714 6.669 1.00 0.00 H new ATOM 0 HB THR A 99 -10.903 12.845 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.165 11.966 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.410 10.905 10.256 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.438 10.453 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.704 10.053 8.863 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.815 14.228 6.262 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.585 15.541 5.688 1.00 0.00 C ATOM 1366 C GLY A 100 -11.473 15.814 4.491 1.00 0.00 C ATOM 1367 O GLY A 100 -12.176 14.931 3.998 1.00 0.00 O ATOM 0 H GLY A 100 -11.771 14.058 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.761 16.302 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.540 15.625 5.388 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.451 17.064 4.005 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.256 17.480 2.853 1.00 0.00 C ATOM 1373 C PRO A 101 -11.766 16.860 1.549 1.00 0.00 C ATOM 1374 O PRO A 101 -10.668 16.306 1.488 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.074 19.000 2.824 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.766 19.238 3.495 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.637 18.167 4.543 1.00 0.00 C ATOM 0 HA PRO A 101 -13.295 17.163 2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.069 19.379 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.885 19.506 3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.945 19.185 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.733 20.230 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.599 17.868 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.007 18.505 5.511 1.00 0.00 H new ATOM 1385 N ARG A 102 -12.586 16.958 0.508 1.00 0.00 N ATOM 1386 CA ARG A 102 -12.236 16.405 -0.795 1.00 0.00 C ATOM 1387 C ARG A 102 -11.201 17.280 -1.496 1.00 0.00 C ATOM 1388 O ARG A 102 -11.549 18.234 -2.194 1.00 0.00 O ATOM 1389 CB ARG A 102 -13.484 16.273 -1.669 1.00 0.00 C ATOM 1390 CG ARG A 102 -14.189 14.934 -1.527 1.00 0.00 C ATOM 1391 CD ARG A 102 -15.426 14.859 -2.408 1.00 0.00 C ATOM 1392 NE ARG A 102 -16.469 15.781 -1.967 1.00 0.00 N ATOM 1393 CZ ARG A 102 -16.523 17.057 -2.331 1.00 0.00 C ATOM 1394 NH1 ARG A 102 -15.599 17.560 -3.137 1.00 0.00 N ATOM 1395 NH2 ARG A 102 -17.504 17.833 -1.888 1.00 0.00 N ATOM 0 H ARG A 102 -13.497 17.415 0.541 1.00 0.00 H new ATOM 0 HA ARG A 102 -11.805 15.416 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.182 17.070 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.203 16.417 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.502 14.130 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.473 14.780 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.152 15.088 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.815 13.841 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.196 15.426 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.843 16.967 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.643 18.540 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.217 17.450 -1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.545 18.813 -2.168 1.00 0.00 H new ATOM 1409 N LEU A 103 -9.928 16.950 -1.306 1.00 0.00 N ATOM 1410 CA LEU A 103 -8.842 17.706 -1.920 1.00 0.00 C ATOM 1411 C LEU A 103 -8.642 17.290 -3.373 1.00 0.00 C ATOM 1412 O LEU A 103 -7.896 16.354 -3.664 1.00 0.00 O ATOM 1413 CB LEU A 103 -7.545 17.501 -1.135 1.00 0.00 C ATOM 1414 CG LEU A 103 -7.289 18.483 0.009 1.00 0.00 C ATOM 1415 CD1 LEU A 103 -6.443 17.833 1.092 1.00 0.00 C ATOM 1416 CD2 LEU A 103 -6.616 19.744 -0.512 1.00 0.00 C ATOM 0 H LEU A 103 -9.623 16.164 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.110 18.762 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.548 16.491 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.709 17.561 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.248 18.761 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.271 18.547 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.964 16.960 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.486 17.525 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.441 20.432 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.664 19.484 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.260 20.221 -1.251 1.00 0.00 H new ATOM 1428 N SER A 104 -9.311 17.992 -4.282 1.00 0.00 N ATOM 1429 CA SER A 104 -9.208 17.694 -5.706 1.00 0.00 C ATOM 1430 C SER A 104 -9.794 16.320 -6.017 1.00 0.00 C ATOM 1431 O SER A 104 -9.247 15.568 -6.822 1.00 0.00 O ATOM 1432 CB SER A 104 -7.747 17.752 -6.156 1.00 0.00 C ATOM 1433 OG SER A 104 -7.651 18.030 -7.542 1.00 0.00 O ATOM 0 H SER A 104 -9.930 18.771 -4.058 1.00 0.00 H new ATOM 0 HA SER A 104 -9.779 18.445 -6.252 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.219 18.520 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.258 16.803 -5.938 1.00 0.00 H new ATOM 0 HG SER A 104 -6.707 18.063 -7.804 1.00 0.00 H new ATOM 1439 N GLY A 105 -10.912 16.001 -5.372 1.00 0.00 N ATOM 1440 CA GLY A 105 -11.555 14.718 -5.593 1.00 0.00 C ATOM 1441 C GLY A 105 -12.696 14.805 -6.586 1.00 0.00 C ATOM 1442 O GLY A 105 -13.762 15.336 -6.273 1.00 0.00 O ATOM 0 H GLY A 105 -11.384 16.607 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.817 14.002 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.931 14.336 -4.644 1.00 0.00 H new ATOM 1446 N SER A 106 -12.473 14.284 -7.789 1.00 0.00 N ATOM 1447 CA SER A 106 -13.490 14.310 -8.833 1.00 0.00 C ATOM 1448 C SER A 106 -14.372 13.067 -8.764 1.00 0.00 C ATOM 1449 O SER A 106 -13.900 11.973 -8.461 1.00 0.00 O ATOM 1450 CB SER A 106 -12.833 14.406 -10.212 1.00 0.00 C ATOM 1451 OG SER A 106 -12.029 15.569 -10.313 1.00 0.00 O ATOM 0 H SER A 106 -11.597 13.839 -8.064 1.00 0.00 H new ATOM 0 HA SER A 106 -14.116 15.188 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.222 13.521 -10.390 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.602 14.423 -10.984 1.00 0.00 H new ATOM 0 HG SER A 106 -11.619 15.607 -11.202 1.00 0.00 H new ATOM 1457 N GLY A 107 -15.659 13.246 -9.048 1.00 0.00 N ATOM 1458 CA GLY A 107 -16.588 12.131 -9.012 1.00 0.00 C ATOM 1459 C GLY A 107 -17.938 12.483 -9.604 1.00 0.00 C ATOM 1460 O GLY A 107 -18.411 13.615 -9.498 1.00 0.00 O ATOM 0 H GLY A 107 -16.074 14.142 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -16.163 11.290 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.721 11.806 -7.980 1.00 0.00 H new ATOM 1464 N PRO A 108 -18.582 11.497 -10.247 1.00 0.00 N ATOM 1465 CA PRO A 108 -19.894 11.685 -10.872 1.00 0.00 C ATOM 1466 C PRO A 108 -21.005 11.872 -9.844 1.00 0.00 C ATOM 1467 O PRO A 108 -21.159 11.063 -8.929 1.00 0.00 O ATOM 1468 CB PRO A 108 -20.103 10.386 -11.655 1.00 0.00 C ATOM 1469 CG PRO A 108 -19.270 9.376 -10.943 1.00 0.00 C ATOM 1470 CD PRO A 108 -18.078 10.123 -10.412 1.00 0.00 C ATOM 0 HA PRO A 108 -19.926 12.582 -11.491 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -21.154 10.095 -11.667 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -19.791 10.495 -12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -19.830 8.909 -10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -18.961 8.578 -11.619 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -17.731 9.706 -9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -17.238 10.084 -11.105 1.00 0.00 H new ATOM 1478 N SER A 109 -21.776 12.943 -10.002 1.00 0.00 N ATOM 1479 CA SER A 109 -22.871 13.237 -9.085 1.00 0.00 C ATOM 1480 C SER A 109 -24.214 13.187 -9.808 1.00 0.00 C ATOM 1481 O SER A 109 -24.619 14.151 -10.457 1.00 0.00 O ATOM 1482 CB SER A 109 -22.674 14.614 -8.448 1.00 0.00 C ATOM 1483 OG SER A 109 -21.913 14.521 -7.257 1.00 0.00 O ATOM 0 H SER A 109 -21.663 13.621 -10.756 1.00 0.00 H new ATOM 0 HA SER A 109 -22.871 12.478 -8.303 1.00 0.00 H new ATOM 0 HB2 SER A 109 -22.172 15.276 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 109 -23.645 15.059 -8.229 1.00 0.00 H new ATOM 0 HG SER A 109 -21.800 15.414 -6.870 1.00 0.00 H new ATOM 1489 N SER A 110 -24.900 12.054 -9.690 1.00 0.00 N ATOM 1490 CA SER A 110 -26.195 11.875 -10.334 1.00 0.00 C ATOM 1491 C SER A 110 -27.294 12.594 -9.557 1.00 0.00 C ATOM 1492 O SER A 110 -27.284 12.619 -8.327 1.00 0.00 O ATOM 1493 CB SER A 110 -26.529 10.386 -10.451 1.00 0.00 C ATOM 1494 OG SER A 110 -25.751 9.767 -11.461 1.00 0.00 O ATOM 0 H SER A 110 -24.580 11.247 -9.154 1.00 0.00 H new ATOM 0 HA SER A 110 -26.138 12.308 -11.333 1.00 0.00 H new ATOM 0 HB2 SER A 110 -26.349 9.893 -9.496 1.00 0.00 H new ATOM 0 HB3 SER A 110 -27.588 10.264 -10.678 1.00 0.00 H new ATOM 0 HG SER A 110 -25.982 8.816 -11.515 1.00 0.00 H new ATOM 1500 N GLY A 111 -28.240 13.178 -10.285 1.00 0.00 N ATOM 1501 CA GLY A 111 -29.333 13.890 -9.648 1.00 0.00 C ATOM 1502 C GLY A 111 -28.939 15.288 -9.216 1.00 0.00 C ATOM 1503 O GLY A 111 -29.765 16.040 -8.697 1.00 0.00 O ATOM 0 H GLY A 111 -28.270 13.171 -11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -30.175 13.950 -10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -29.672 13.326 -8.779 1.00 0.00 H new TER 1507 GLY A 111