USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 680 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 49 LYS NZ :NH3+ -145:sc= 0.0358 (180deg=-0.0136) USER MOD Set 1.2: A 58 SER OG : rot 174:sc= 0.0607 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= -1.23 (180deg=-1.38) USER MOD Single : A 6 ASN :FLIP amide:sc= 0.916 F(o=-0.4,f=0.92) USER MOD Single : A 7 ASN : amide:sc=-0.00608 X(o=-0.0061,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 12 ASN :FLIP amide:sc= -3.1! C(o=-3.7!,f=-3.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.699 K(o=-0.7,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0851 USER MOD Single : A 24 THR OG1 : rot 180:sc= -2.38! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.825 X(o=-0.83,f=-0.81) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0865 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.23 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -6:sc= -0.0833 USER MOD Single : A 68 ASN : amide:sc= -1.35 K(o=-1.3,f=-4.5!) USER MOD Single : A 69 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.37) USER MOD Single : A 71 SER OG : rot 70:sc= -0.58 USER MOD Single : A 72 CYS SG : rot 160:sc= -0.307 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0022 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 137:sc= 0.389 USER MOD Single : A 83 HIS : no HD1:sc= -0.935 K(o=-0.93,f=-2.1) USER MOD Single : A 85 MET CE :methyl -166:sc= -0.777 (180deg=-1.57) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.0401 (180deg=-0.236) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.4) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -3.46 F(o=-4.5!,f=-3.5) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 4.608 -0.253 -1.140 1.00 34.14 N ATOM 9 CA ASN A 2 5.331 -1.511 -1.287 1.00 75.00 C ATOM 10 C ASN A 2 6.414 -1.644 -0.221 1.00 32.10 C ATOM 11 O ASN A 2 6.556 -0.781 0.646 1.00 63.52 O ATOM 12 CB ASN A 2 5.956 -1.603 -2.680 1.00 62.52 C ATOM 13 CG ASN A 2 4.944 -1.979 -3.745 1.00 32.31 C ATOM 14 OD1 ASN A 2 4.578 -3.146 -3.885 1.00 62.42 O ATOM 15 ND2 ASN A 2 4.486 -0.989 -4.502 1.00 10.34 N ATOM 0 HA ASN A 2 4.620 -2.327 -1.160 1.00 75.00 H new ATOM 0 HB2 ASN A 2 6.409 -0.645 -2.936 1.00 62.52 H new ATOM 0 HB3 ASN A 2 6.757 -2.342 -2.667 1.00 62.52 H new ATOM 0 HD21 ASN A 2 3.803 -1.181 -5.235 1.00 10.34 H new ATOM 0 HD22 ASN A 2 4.817 -0.036 -4.351 1.00 10.34 H new ATOM 22 N VAL A 3 7.176 -2.731 -0.292 1.00 11.12 N ATOM 23 CA VAL A 3 8.248 -2.977 0.666 1.00 52.35 C ATOM 24 C VAL A 3 9.615 -2.747 0.031 1.00 72.11 C ATOM 25 O VAL A 3 10.064 -3.534 -0.803 1.00 65.12 O ATOM 26 CB VAL A 3 8.186 -4.412 1.221 1.00 62.24 C ATOM 27 CG1 VAL A 3 7.012 -4.566 2.175 1.00 2.35 C ATOM 28 CG2 VAL A 3 8.095 -5.419 0.084 1.00 52.01 C ATOM 0 H VAL A 3 7.071 -3.455 -1.003 1.00 11.12 H new ATOM 0 HA VAL A 3 8.108 -2.273 1.486 1.00 52.35 H new ATOM 0 HB VAL A 3 9.103 -4.608 1.777 1.00 62.24 H new ATOM 0 HG11 VAL A 3 6.985 -5.587 2.557 1.00 2.35 H new ATOM 0 HG12 VAL A 3 7.125 -3.870 3.007 1.00 2.35 H new ATOM 0 HG13 VAL A 3 6.083 -4.351 1.646 1.00 2.35 H new ATOM 0 HG21 VAL A 3 8.052 -6.428 0.494 1.00 52.01 H new ATOM 0 HG22 VAL A 3 7.196 -5.227 -0.501 1.00 52.01 H new ATOM 0 HG23 VAL A 3 8.972 -5.325 -0.557 1.00 52.01 H new ATOM 38 N LEU A 4 10.272 -1.664 0.431 1.00 23.53 N ATOM 39 CA LEU A 4 11.590 -1.330 -0.098 1.00 21.43 C ATOM 40 C LEU A 4 12.551 -0.961 1.028 1.00 61.02 C ATOM 41 O LEU A 4 12.140 -0.439 2.064 1.00 53.30 O ATOM 42 CB LEU A 4 11.484 -0.174 -1.093 1.00 14.40 C ATOM 43 CG LEU A 4 10.431 0.889 -0.777 1.00 11.34 C ATOM 44 CD1 LEU A 4 10.910 2.263 -1.219 1.00 53.22 C ATOM 45 CD2 LEU A 4 9.107 0.544 -1.443 1.00 21.43 C ATOM 0 H LEU A 4 9.914 -1.002 1.120 1.00 23.53 H new ATOM 0 HA LEU A 4 11.981 -2.208 -0.612 1.00 21.43 H new ATOM 0 HB2 LEU A 4 12.456 0.314 -1.157 1.00 14.40 H new ATOM 0 HB3 LEU A 4 11.270 -0.588 -2.078 1.00 14.40 H new ATOM 0 HG LEU A 4 10.277 0.910 0.302 1.00 11.34 H new ATOM 0 HD11 LEU A 4 10.148 3.006 -0.986 1.00 53.22 H new ATOM 0 HD12 LEU A 4 11.833 2.513 -0.695 1.00 53.22 H new ATOM 0 HD13 LEU A 4 11.094 2.256 -2.293 1.00 53.22 H new ATOM 0 HD21 LEU A 4 8.370 1.312 -1.207 1.00 21.43 H new ATOM 0 HD22 LEU A 4 9.245 0.494 -2.523 1.00 21.43 H new ATOM 0 HD23 LEU A 4 8.756 -0.421 -1.077 1.00 21.43 H new ATOM 57 N LYS A 5 13.834 -1.234 0.817 1.00 42.25 N ATOM 58 CA LYS A 5 14.856 -0.928 1.811 1.00 52.42 C ATOM 59 C LYS A 5 16.252 -1.032 1.206 1.00 42.10 C ATOM 60 O LYS A 5 16.950 -0.030 1.056 1.00 51.03 O ATOM 61 CB LYS A 5 14.734 -1.876 3.006 1.00 50.41 C ATOM 62 CG LYS A 5 15.470 -1.392 4.243 1.00 12.15 C ATOM 63 CD LYS A 5 14.783 -0.188 4.866 1.00 50.34 C ATOM 64 CE LYS A 5 15.572 0.355 6.048 1.00 73.24 C ATOM 65 NZ LYS A 5 16.168 -0.738 6.865 1.00 13.12 N ATOM 0 H LYS A 5 14.191 -1.667 -0.035 1.00 42.25 H new ATOM 0 HA LYS A 5 14.702 0.096 2.150 1.00 52.42 H new ATOM 0 HB2 LYS A 5 13.680 -2.007 3.249 1.00 50.41 H new ATOM 0 HB3 LYS A 5 15.120 -2.855 2.723 1.00 50.41 H new ATOM 0 HG2 LYS A 5 15.525 -2.199 4.974 1.00 12.15 H new ATOM 0 HG3 LYS A 5 16.495 -1.131 3.979 1.00 12.15 H new ATOM 0 HD2 LYS A 5 14.666 0.594 4.116 1.00 50.34 H new ATOM 0 HD3 LYS A 5 13.782 -0.468 5.193 1.00 50.34 H new ATOM 0 HE2 LYS A 5 16.364 1.011 5.686 1.00 73.24 H new ATOM 0 HE3 LYS A 5 14.917 0.961 6.674 1.00 73.24 H new ATOM 0 HZ1 LYS A 5 16.625 -0.333 7.706 1.00 13.12 H new ATOM 0 HZ2 LYS A 5 15.420 -1.397 7.161 1.00 13.12 H new ATOM 0 HZ3 LYS A 5 16.875 -1.249 6.299 1.00 13.12 H new ATOM 79 N ASN A 6 16.653 -2.251 0.860 1.00 74.04 N ATOM 80 CA ASN A 6 17.966 -2.485 0.270 1.00 32.50 C ATOM 81 C ASN A 6 17.990 -2.055 -1.193 1.00 52.43 C ATOM 82 O ASN A 6 16.958 -2.037 -1.863 1.00 32.04 O ATOM 83 CB ASN A 6 18.342 -3.964 0.384 1.00 25.02 C ATOM 84 CG ASN A 6 19.091 -4.466 -0.836 1.00 12.23 C ATOM 85 OD1 ASN A 6 20.407 -4.287 -0.837 1.00 34.20 O flip ATOM 86 ND2 ASN A 6 18.493 -5.008 -1.765 1.00 54.34 N flip ATOM 0 H ASN A 6 16.088 -3.092 0.978 1.00 74.04 H new ATOM 0 HA ASN A 6 18.695 -1.887 0.818 1.00 32.50 H new ATOM 0 HB2 ASN A 6 18.958 -4.112 1.271 1.00 25.02 H new ATOM 0 HB3 ASN A 6 17.437 -4.557 0.521 1.00 25.02 H new ATOM 0 HD21 ASN A 6 17.481 -5.124 -1.721 1.00 54.34 H new ATOM 0 HD22 ASN A 6 19.010 -5.341 -2.579 1.00 54.34 H new ATOM 93 N ASN A 7 19.176 -1.708 -1.683 1.00 72.21 N ATOM 94 CA ASN A 7 19.335 -1.277 -3.067 1.00 71.23 C ATOM 95 C ASN A 7 19.097 0.224 -3.200 1.00 71.15 C ATOM 96 O ASN A 7 20.024 0.990 -3.465 1.00 10.33 O ATOM 97 CB ASN A 7 18.369 -2.041 -3.975 1.00 55.32 C ATOM 98 CG ASN A 7 18.912 -2.217 -5.380 1.00 2.01 C ATOM 99 OD1 ASN A 7 18.400 -1.631 -6.334 1.00 33.22 O ATOM 100 ND2 ASN A 7 19.955 -3.028 -5.513 1.00 5.31 N ATOM 0 H ASN A 7 20.041 -1.717 -1.142 1.00 72.21 H new ATOM 0 HA ASN A 7 20.358 -1.493 -3.374 1.00 71.23 H new ATOM 0 HB2 ASN A 7 18.165 -3.020 -3.542 1.00 55.32 H new ATOM 0 HB3 ASN A 7 17.419 -1.509 -4.020 1.00 55.32 H new ATOM 0 HD21 ASN A 7 20.364 -3.186 -6.434 1.00 5.31 H new ATOM 0 HD22 ASN A 7 20.347 -3.493 -4.694 1.00 5.31 H new ATOM 107 N THR A 8 17.847 0.638 -3.015 1.00 43.30 N ATOM 108 CA THR A 8 17.486 2.047 -3.115 1.00 25.23 C ATOM 109 C THR A 8 16.879 2.552 -1.811 1.00 52.22 C ATOM 110 O THR A 8 15.869 2.039 -1.329 1.00 54.42 O ATOM 111 CB THR A 8 16.488 2.291 -4.262 1.00 1.10 C ATOM 112 OG1 THR A 8 16.971 1.688 -5.468 1.00 13.40 O ATOM 113 CG2 THR A 8 16.273 3.781 -4.484 1.00 61.52 C ATOM 0 H THR A 8 17.068 0.018 -2.795 1.00 43.30 H new ATOM 0 HA THR A 8 18.405 2.596 -3.321 1.00 25.23 H new ATOM 0 HB THR A 8 15.535 1.840 -3.987 1.00 1.10 H new ATOM 0 HG1 THR A 8 16.330 1.846 -6.192 1.00 13.40 H new ATOM 0 HG21 THR A 8 15.564 3.929 -5.299 1.00 61.52 H new ATOM 0 HG22 THR A 8 15.878 4.231 -3.573 1.00 61.52 H new ATOM 0 HG23 THR A 8 17.223 4.252 -4.739 1.00 61.52 H new ATOM 121 N PRO A 9 17.506 3.583 -1.225 1.00 63.24 N ATOM 122 CA PRO A 9 17.043 4.181 0.030 1.00 4.13 C ATOM 123 C PRO A 9 15.736 4.947 -0.140 1.00 32.11 C ATOM 124 O PRO A 9 15.419 5.420 -1.231 1.00 44.53 O ATOM 125 CB PRO A 9 18.178 5.137 0.407 1.00 11.20 C ATOM 126 CG PRO A 9 18.835 5.473 -0.887 1.00 3.51 C ATOM 127 CD PRO A 9 18.716 4.244 -1.744 1.00 74.20 C ATOM 0 HA PRO A 9 16.833 3.426 0.788 1.00 4.13 H new ATOM 0 HB2 PRO A 9 17.796 6.030 0.901 1.00 11.20 H new ATOM 0 HB3 PRO A 9 18.879 4.667 1.097 1.00 11.20 H new ATOM 0 HG2 PRO A 9 18.350 6.327 -1.360 1.00 3.51 H new ATOM 0 HG3 PRO A 9 19.880 5.743 -0.735 1.00 3.51 H new ATOM 0 HD2 PRO A 9 18.614 4.498 -2.799 1.00 74.20 H new ATOM 0 HD3 PRO A 9 19.594 3.604 -1.653 1.00 74.20 H new ATOM 135 N VAL A 10 14.979 5.065 0.947 1.00 50.45 N ATOM 136 CA VAL A 10 13.706 5.775 0.918 1.00 51.54 C ATOM 137 C VAL A 10 13.907 7.273 1.122 1.00 60.23 C ATOM 138 O VAL A 10 14.365 7.710 2.177 1.00 34.05 O ATOM 139 CB VAL A 10 12.743 5.246 1.997 1.00 4.13 C ATOM 140 CG1 VAL A 10 11.358 5.847 1.819 1.00 53.42 C ATOM 141 CG2 VAL A 10 12.683 3.727 1.958 1.00 23.42 C ATOM 0 H VAL A 10 15.226 4.678 1.858 1.00 50.45 H new ATOM 0 HA VAL A 10 13.269 5.600 -0.065 1.00 51.54 H new ATOM 0 HB VAL A 10 13.120 5.547 2.974 1.00 4.13 H new ATOM 0 HG11 VAL A 10 10.692 5.461 2.591 1.00 53.42 H new ATOM 0 HG12 VAL A 10 11.419 6.932 1.902 1.00 53.42 H new ATOM 0 HG13 VAL A 10 10.969 5.579 0.837 1.00 53.42 H new ATOM 0 HG21 VAL A 10 11.998 3.370 2.727 1.00 23.42 H new ATOM 0 HG22 VAL A 10 12.331 3.402 0.979 1.00 23.42 H new ATOM 0 HG23 VAL A 10 13.677 3.319 2.140 1.00 23.42 H new ATOM 151 N SER A 11 13.561 8.055 0.104 1.00 64.10 N ATOM 152 CA SER A 11 13.707 9.504 0.170 1.00 51.31 C ATOM 153 C SER A 11 12.462 10.148 0.773 1.00 43.41 C ATOM 154 O SER A 11 11.387 9.551 0.789 1.00 21.25 O ATOM 155 CB SER A 11 13.966 10.076 -1.225 1.00 51.13 C ATOM 156 OG SER A 11 13.287 9.326 -2.218 1.00 2.22 O ATOM 0 H SER A 11 13.178 7.709 -0.776 1.00 64.10 H new ATOM 0 HA SER A 11 14.559 9.730 0.811 1.00 51.31 H new ATOM 0 HB2 SER A 11 13.638 11.115 -1.262 1.00 51.13 H new ATOM 0 HB3 SER A 11 15.037 10.072 -1.430 1.00 51.13 H new ATOM 0 HG SER A 11 13.467 9.713 -3.100 1.00 2.22 H new ATOM 162 N ASN A 12 12.618 11.372 1.268 1.00 54.13 N ATOM 163 CA ASN A 12 11.507 12.099 1.873 1.00 61.52 C ATOM 164 C ASN A 12 10.644 11.167 2.718 1.00 73.11 C ATOM 165 O ASN A 12 9.501 10.872 2.366 1.00 71.23 O ATOM 166 CB ASN A 12 10.653 12.761 0.790 1.00 62.13 C ATOM 167 CG ASN A 12 10.201 11.777 -0.272 1.00 43.13 C ATOM 168 OD1 ASN A 12 11.011 11.616 -1.312 1.00 35.44 O flip ATOM 169 ND2 ASN A 12 9.137 11.170 -0.159 1.00 63.41 N flip ATOM 0 H ASN A 12 13.502 11.881 1.262 1.00 54.13 H new ATOM 0 HA ASN A 12 11.921 12.871 2.522 1.00 61.52 H new ATOM 0 HB2 ASN A 12 9.779 13.221 1.251 1.00 62.13 H new ATOM 0 HB3 ASN A 12 11.224 13.562 0.320 1.00 62.13 H new ATOM 0 HD21 ASN A 12 8.546 11.325 0.658 1.00 63.41 H new ATOM 0 HD22 ASN A 12 8.846 10.512 -0.882 1.00 63.41 H new ATOM 176 N LEU A 13 11.197 10.707 3.835 1.00 43.25 N ATOM 177 CA LEU A 13 10.478 9.809 4.732 1.00 42.15 C ATOM 178 C LEU A 13 9.341 10.541 5.438 1.00 25.42 C ATOM 179 O LEU A 13 9.068 11.708 5.156 1.00 65.24 O ATOM 180 CB LEU A 13 11.436 9.213 5.764 1.00 3.13 C ATOM 181 CG LEU A 13 12.025 7.844 5.422 1.00 42.11 C ATOM 182 CD1 LEU A 13 13.460 7.742 5.915 1.00 43.03 C ATOM 183 CD2 LEU A 13 11.174 6.733 6.019 1.00 21.10 C ATOM 0 H LEU A 13 12.141 10.941 4.141 1.00 43.25 H new ATOM 0 HA LEU A 13 10.051 9.003 4.135 1.00 42.15 H new ATOM 0 HB2 LEU A 13 12.258 9.913 5.913 1.00 3.13 H new ATOM 0 HB3 LEU A 13 10.909 9.132 6.715 1.00 3.13 H new ATOM 0 HG LEU A 13 12.026 7.731 4.338 1.00 42.11 H new ATOM 0 HD11 LEU A 13 13.863 6.761 5.663 1.00 43.03 H new ATOM 0 HD12 LEU A 13 14.064 8.515 5.440 1.00 43.03 H new ATOM 0 HD13 LEU A 13 13.484 7.877 6.996 1.00 43.03 H new ATOM 0 HD21 LEU A 13 11.608 5.766 5.765 1.00 21.10 H new ATOM 0 HD22 LEU A 13 11.141 6.843 7.103 1.00 21.10 H new ATOM 0 HD23 LEU A 13 10.163 6.793 5.617 1.00 21.10 H new ATOM 195 N THR A 14 8.682 9.847 6.361 1.00 11.53 N ATOM 196 CA THR A 14 7.576 10.431 7.110 1.00 73.23 C ATOM 197 C THR A 14 7.612 9.998 8.571 1.00 53.21 C ATOM 198 O THR A 14 7.870 8.835 8.878 1.00 51.20 O ATOM 199 CB THR A 14 6.216 10.035 6.502 1.00 3.55 C ATOM 200 OG1 THR A 14 6.221 8.647 6.152 1.00 5.11 O ATOM 201 CG2 THR A 14 5.910 10.874 5.270 1.00 32.54 C ATOM 0 H THR A 14 8.895 8.880 6.608 1.00 11.53 H new ATOM 0 HA THR A 14 7.691 11.513 7.052 1.00 73.23 H new ATOM 0 HB THR A 14 5.442 10.217 7.248 1.00 3.55 H new ATOM 0 HG1 THR A 14 5.353 8.403 5.768 1.00 5.11 H new ATOM 0 HG21 THR A 14 4.946 10.577 4.858 1.00 32.54 H new ATOM 0 HG22 THR A 14 5.877 11.928 5.546 1.00 32.54 H new ATOM 0 HG23 THR A 14 6.687 10.719 4.522 1.00 32.54 H new ATOM 209 N GLY A 15 7.350 10.943 9.470 1.00 63.53 N ATOM 210 CA GLY A 15 7.357 10.638 10.889 1.00 45.53 C ATOM 211 C GLY A 15 6.187 11.263 11.621 1.00 34.24 C ATOM 212 O GLY A 15 6.372 12.117 12.487 1.00 52.32 O ATOM 0 H GLY A 15 7.133 11.913 9.241 1.00 63.53 H new ATOM 0 HA2 GLY A 15 7.331 9.557 11.025 1.00 45.53 H new ATOM 0 HA3 GLY A 15 8.289 10.993 11.329 1.00 45.53 H new ATOM 216 N ASN A 16 4.977 10.836 11.273 1.00 50.21 N ATOM 217 CA ASN A 16 3.771 11.361 11.902 1.00 13.24 C ATOM 218 C ASN A 16 3.591 10.782 13.302 1.00 23.43 C ATOM 219 O ASN A 16 3.977 9.643 13.569 1.00 11.34 O ATOM 220 CB ASN A 16 2.544 11.043 11.046 1.00 54.24 C ATOM 221 CG ASN A 16 1.429 12.054 11.234 1.00 2.30 C ATOM 222 OD1 ASN A 16 1.618 13.091 11.870 1.00 51.40 O ATOM 223 ND2 ASN A 16 0.260 11.756 10.680 1.00 34.44 N ATOM 0 H ASN A 16 4.806 10.128 10.559 1.00 50.21 H new ATOM 0 HA ASN A 16 3.877 12.443 11.986 1.00 13.24 H new ATOM 0 HB2 ASN A 16 2.834 11.017 9.996 1.00 54.24 H new ATOM 0 HB3 ASN A 16 2.176 10.049 11.299 1.00 54.24 H new ATOM 0 HD21 ASN A 16 -0.527 12.398 10.773 1.00 34.44 H new ATOM 0 HD22 ASN A 16 0.149 10.885 10.161 1.00 34.44 H new ATOM 230 N LYS A 17 3.003 11.573 14.193 1.00 32.41 N ATOM 231 CA LYS A 17 2.770 11.139 15.566 1.00 54.34 C ATOM 232 C LYS A 17 2.109 9.765 15.597 1.00 31.15 C ATOM 233 O LYS A 17 2.632 8.828 16.199 1.00 31.21 O ATOM 234 CB LYS A 17 1.893 12.156 16.301 1.00 71.50 C ATOM 235 CG LYS A 17 2.575 13.493 16.532 1.00 72.04 C ATOM 236 CD LYS A 17 2.177 14.511 15.476 1.00 63.01 C ATOM 237 CE LYS A 17 2.333 15.935 15.988 1.00 63.32 C ATOM 238 NZ LYS A 17 1.178 16.351 16.830 1.00 21.24 N ATOM 0 H LYS A 17 2.679 12.518 13.989 1.00 32.41 H new ATOM 0 HA LYS A 17 3.735 11.070 16.068 1.00 54.34 H new ATOM 0 HB2 LYS A 17 0.980 12.318 15.728 1.00 71.50 H new ATOM 0 HB3 LYS A 17 1.595 11.738 17.263 1.00 71.50 H new ATOM 0 HG2 LYS A 17 2.312 13.871 17.520 1.00 72.04 H new ATOM 0 HG3 LYS A 17 3.657 13.358 16.519 1.00 72.04 H new ATOM 0 HD2 LYS A 17 2.792 14.374 14.587 1.00 63.01 H new ATOM 0 HD3 LYS A 17 1.142 14.342 15.178 1.00 63.01 H new ATOM 0 HE2 LYS A 17 3.252 16.014 16.568 1.00 63.32 H new ATOM 0 HE3 LYS A 17 2.430 16.616 15.143 1.00 63.32 H new ATOM 0 HZ1 LYS A 17 1.322 17.327 17.159 1.00 21.24 H new ATOM 0 HZ2 LYS A 17 0.304 16.300 16.269 1.00 21.24 H new ATOM 0 HZ3 LYS A 17 1.100 15.717 17.650 1.00 21.24 H new ATOM 252 N GLY A 18 0.956 9.652 14.944 1.00 23.21 N ATOM 253 CA GLY A 18 0.244 8.388 14.909 1.00 23.34 C ATOM 254 C GLY A 18 0.642 7.531 13.724 1.00 31.30 C ATOM 255 O GLY A 18 1.199 6.446 13.893 1.00 42.13 O ATOM 0 H GLY A 18 0.503 10.413 14.439 1.00 23.21 H new ATOM 0 HA2 GLY A 18 0.438 7.840 15.831 1.00 23.34 H new ATOM 0 HA3 GLY A 18 -0.828 8.580 14.871 1.00 23.34 H new ATOM 259 N SER A 19 0.354 8.017 12.521 1.00 34.10 N ATOM 260 CA SER A 19 0.680 7.285 11.303 1.00 51.24 C ATOM 261 C SER A 19 2.141 6.847 11.307 1.00 44.33 C ATOM 262 O SER A 19 3.012 7.560 11.806 1.00 72.40 O ATOM 263 CB SER A 19 0.398 8.150 10.072 1.00 23.13 C ATOM 264 OG SER A 19 -0.317 7.421 9.090 1.00 52.32 O ATOM 0 H SER A 19 -0.104 8.915 12.364 1.00 34.10 H new ATOM 0 HA SER A 19 0.052 6.395 11.264 1.00 51.24 H new ATOM 0 HB2 SER A 19 -0.175 9.030 10.365 1.00 23.13 H new ATOM 0 HB3 SER A 19 1.338 8.507 9.652 1.00 23.13 H new ATOM 0 HG SER A 19 -0.486 7.996 8.315 1.00 52.32 H new ATOM 270 N GLU A 20 2.402 5.670 10.746 1.00 14.23 N ATOM 271 CA GLU A 20 3.757 5.137 10.686 1.00 23.42 C ATOM 272 C GLU A 20 4.020 4.469 9.339 1.00 1.42 C ATOM 273 O GLU A 20 3.143 4.421 8.476 1.00 24.43 O ATOM 274 CB GLU A 20 3.985 4.132 11.818 1.00 13.51 C ATOM 275 CG GLU A 20 3.238 4.476 13.096 1.00 42.50 C ATOM 276 CD GLU A 20 1.850 3.868 13.143 1.00 61.14 C ATOM 277 OE1 GLU A 20 1.365 3.417 12.084 1.00 53.33 O ATOM 278 OE2 GLU A 20 1.249 3.842 14.237 1.00 42.51 O ATOM 0 H GLU A 20 1.693 5.068 10.327 1.00 14.23 H new ATOM 0 HA GLU A 20 4.452 5.969 10.802 1.00 23.42 H new ATOM 0 HB2 GLU A 20 3.676 3.142 11.482 1.00 13.51 H new ATOM 0 HB3 GLU A 20 5.052 4.077 12.034 1.00 13.51 H new ATOM 0 HG2 GLU A 20 3.813 4.126 13.954 1.00 42.50 H new ATOM 0 HG3 GLU A 20 3.159 5.559 13.186 1.00 42.50 H new ATOM 285 N VAL A 21 5.234 3.957 9.166 1.00 24.12 N ATOM 286 CA VAL A 21 5.614 3.292 7.925 1.00 32.03 C ATOM 287 C VAL A 21 6.486 2.072 8.200 1.00 50.10 C ATOM 288 O VAL A 21 7.381 2.113 9.045 1.00 73.42 O ATOM 289 CB VAL A 21 6.370 4.249 6.984 1.00 20.34 C ATOM 290 CG1 VAL A 21 5.446 4.766 5.893 1.00 74.54 C ATOM 291 CG2 VAL A 21 6.976 5.401 7.771 1.00 14.05 C ATOM 0 H VAL A 21 5.972 3.990 9.870 1.00 24.12 H new ATOM 0 HA VAL A 21 4.691 2.973 7.441 1.00 32.03 H new ATOM 0 HB VAL A 21 7.181 3.697 6.508 1.00 20.34 H new ATOM 0 HG11 VAL A 21 5.998 5.440 5.238 1.00 74.54 H new ATOM 0 HG12 VAL A 21 5.065 3.927 5.311 1.00 74.54 H new ATOM 0 HG13 VAL A 21 4.612 5.302 6.346 1.00 74.54 H new ATOM 0 HG21 VAL A 21 7.506 6.067 7.091 1.00 14.05 H new ATOM 0 HG22 VAL A 21 6.183 5.954 8.276 1.00 14.05 H new ATOM 0 HG23 VAL A 21 7.673 5.009 8.512 1.00 14.05 H new ATOM 301 N PHE A 22 6.220 0.987 7.480 1.00 13.13 N ATOM 302 CA PHE A 22 6.980 -0.246 7.646 1.00 21.14 C ATOM 303 C PHE A 22 7.347 -0.846 6.292 1.00 54.31 C ATOM 304 O PHE A 22 6.540 -0.845 5.362 1.00 41.44 O ATOM 305 CB PHE A 22 6.177 -1.259 8.465 1.00 71.23 C ATOM 306 CG PHE A 22 4.732 -1.342 8.065 1.00 55.24 C ATOM 307 CD1 PHE A 22 3.797 -0.479 8.614 1.00 34.53 C ATOM 308 CD2 PHE A 22 4.308 -2.281 7.139 1.00 71.34 C ATOM 309 CE1 PHE A 22 2.466 -0.554 8.248 1.00 31.04 C ATOM 310 CE2 PHE A 22 2.978 -2.360 6.768 1.00 25.35 C ATOM 311 CZ PHE A 22 2.057 -1.495 7.323 1.00 15.35 C ATOM 0 H PHE A 22 5.484 0.937 6.776 1.00 13.13 H new ATOM 0 HA PHE A 22 7.900 -0.007 8.179 1.00 21.14 H new ATOM 0 HB2 PHE A 22 6.632 -2.243 8.358 1.00 71.23 H new ATOM 0 HB3 PHE A 22 6.239 -0.992 9.520 1.00 71.23 H new ATOM 0 HD1 PHE A 22 4.112 0.260 9.336 1.00 34.53 H new ATOM 0 HD2 PHE A 22 5.025 -2.960 6.701 1.00 71.34 H new ATOM 0 HE1 PHE A 22 1.746 0.123 8.685 1.00 31.04 H new ATOM 0 HE2 PHE A 22 2.661 -3.097 6.045 1.00 25.35 H new ATOM 0 HZ PHE A 22 1.018 -1.554 7.035 1.00 15.35 H new ATOM 321 N TYR A 23 8.568 -1.356 6.189 1.00 25.41 N ATOM 322 CA TYR A 23 9.044 -1.957 4.948 1.00 1.44 C ATOM 323 C TYR A 23 9.811 -3.246 5.226 1.00 73.11 C ATOM 324 O TYR A 23 10.221 -3.509 6.357 1.00 13.52 O ATOM 325 CB TYR A 23 9.937 -0.972 4.191 1.00 72.54 C ATOM 326 CG TYR A 23 9.410 0.445 4.188 1.00 75.44 C ATOM 327 CD1 TYR A 23 8.242 0.771 3.508 1.00 5.43 C ATOM 328 CD2 TYR A 23 10.078 1.457 4.865 1.00 22.23 C ATOM 329 CE1 TYR A 23 7.758 2.065 3.502 1.00 32.14 C ATOM 330 CE2 TYR A 23 9.600 2.753 4.866 1.00 20.11 C ATOM 331 CZ TYR A 23 8.440 3.052 4.183 1.00 72.02 C ATOM 332 OH TYR A 23 7.959 4.341 4.180 1.00 4.55 O ATOM 0 H TYR A 23 9.247 -1.366 6.950 1.00 25.41 H new ATOM 0 HA TYR A 23 8.176 -2.198 4.334 1.00 1.44 H new ATOM 0 HB2 TYR A 23 10.932 -0.980 4.637 1.00 72.54 H new ATOM 0 HB3 TYR A 23 10.047 -1.312 3.161 1.00 72.54 H new ATOM 0 HD1 TYR A 23 7.704 0.000 2.976 1.00 5.43 H new ATOM 0 HD2 TYR A 23 10.987 1.227 5.400 1.00 22.23 H new ATOM 0 HE1 TYR A 23 6.850 2.303 2.967 1.00 32.14 H new ATOM 0 HE2 TYR A 23 10.132 3.528 5.399 1.00 20.11 H new ATOM 0 HH TYR A 23 8.555 4.914 4.707 1.00 4.55 H new ATOM 342 N THR A 24 10.002 -4.049 4.184 1.00 71.32 N ATOM 343 CA THR A 24 10.718 -5.312 4.313 1.00 3.21 C ATOM 344 C THR A 24 11.588 -5.578 3.090 1.00 62.10 C ATOM 345 O THR A 24 11.237 -5.201 1.972 1.00 72.22 O ATOM 346 CB THR A 24 9.747 -6.492 4.505 1.00 0.20 C ATOM 347 OG1 THR A 24 8.579 -6.301 3.699 1.00 61.02 O ATOM 348 CG2 THR A 24 9.344 -6.629 5.966 1.00 64.35 C ATOM 0 H THR A 24 9.671 -3.847 3.241 1.00 71.32 H new ATOM 0 HA THR A 24 11.352 -5.227 5.195 1.00 3.21 H new ATOM 0 HB THR A 24 10.255 -7.406 4.197 1.00 0.20 H new ATOM 0 HG1 THR A 24 7.967 -7.056 3.825 1.00 61.02 H new ATOM 0 HG21 THR A 24 8.658 -7.469 6.077 1.00 64.35 H new ATOM 0 HG22 THR A 24 10.232 -6.803 6.574 1.00 64.35 H new ATOM 0 HG23 THR A 24 8.853 -5.713 6.295 1.00 64.35 H new ATOM 356 N PHE A 25 12.725 -6.231 3.309 1.00 40.41 N ATOM 357 CA PHE A 25 13.646 -6.547 2.223 1.00 31.45 C ATOM 358 C PHE A 25 14.574 -7.693 2.615 1.00 64.21 C ATOM 359 O PHE A 25 14.710 -8.024 3.794 1.00 41.54 O ATOM 360 CB PHE A 25 14.470 -5.314 1.849 1.00 52.42 C ATOM 361 CG PHE A 25 14.522 -5.054 0.370 1.00 24.33 C ATOM 362 CD1 PHE A 25 15.405 -5.752 -0.438 1.00 21.31 C ATOM 363 CD2 PHE A 25 13.689 -4.112 -0.211 1.00 43.01 C ATOM 364 CE1 PHE A 25 15.456 -5.516 -1.799 1.00 32.31 C ATOM 365 CE2 PHE A 25 13.735 -3.872 -1.571 1.00 62.14 C ATOM 366 CZ PHE A 25 14.620 -4.574 -2.366 1.00 63.11 C ATOM 0 H PHE A 25 13.030 -6.551 4.228 1.00 40.41 H new ATOM 0 HA PHE A 25 13.058 -6.857 1.359 1.00 31.45 H new ATOM 0 HB2 PHE A 25 14.050 -4.441 2.349 1.00 52.42 H new ATOM 0 HB3 PHE A 25 15.486 -5.438 2.224 1.00 52.42 H new ATOM 0 HD1 PHE A 25 16.061 -6.489 0.001 1.00 21.31 H new ATOM 0 HD2 PHE A 25 12.996 -3.559 0.406 1.00 43.01 H new ATOM 0 HE1 PHE A 25 16.148 -6.067 -2.418 1.00 32.31 H new ATOM 0 HE2 PHE A 25 13.079 -3.136 -2.012 1.00 62.14 H new ATOM 0 HZ PHE A 25 14.658 -4.387 -3.429 1.00 63.11 H new ATOM 376 N THR A 26 15.212 -8.297 1.617 1.00 23.42 N ATOM 377 CA THR A 26 16.127 -9.407 1.855 1.00 35.23 C ATOM 378 C THR A 26 17.495 -9.134 1.242 1.00 50.50 C ATOM 379 O THR A 26 17.667 -8.180 0.483 1.00 53.14 O ATOM 380 CB THR A 26 15.573 -10.724 1.280 1.00 31.50 C ATOM 381 OG1 THR A 26 15.750 -10.752 -0.141 1.00 3.54 O ATOM 382 CG2 THR A 26 14.098 -10.884 1.615 1.00 14.51 C ATOM 0 H THR A 26 15.112 -8.036 0.636 1.00 23.42 H new ATOM 0 HA THR A 26 16.230 -9.505 2.936 1.00 35.23 H new ATOM 0 HB THR A 26 16.123 -11.550 1.731 1.00 31.50 H new ATOM 0 HG1 THR A 26 15.397 -11.593 -0.498 1.00 3.54 H new ATOM 0 HG21 THR A 26 13.730 -11.821 1.198 1.00 14.51 H new ATOM 0 HG22 THR A 26 13.970 -10.893 2.697 1.00 14.51 H new ATOM 0 HG23 THR A 26 13.536 -10.052 1.190 1.00 14.51 H new ATOM 390 N VAL A 27 18.467 -9.977 1.575 1.00 2.55 N ATOM 391 CA VAL A 27 19.821 -9.826 1.056 1.00 61.34 C ATOM 392 C VAL A 27 20.142 -10.913 0.036 1.00 72.13 C ATOM 393 O VAL A 27 19.692 -12.052 0.164 1.00 10.24 O ATOM 394 CB VAL A 27 20.865 -9.875 2.187 1.00 43.11 C ATOM 395 CG1 VAL A 27 22.273 -9.777 1.619 1.00 70.40 C ATOM 396 CG2 VAL A 27 20.610 -8.765 3.195 1.00 41.40 C ATOM 0 H VAL A 27 18.342 -10.772 2.202 1.00 2.55 H new ATOM 0 HA VAL A 27 19.867 -8.851 0.571 1.00 61.34 H new ATOM 0 HB VAL A 27 20.773 -10.831 2.702 1.00 43.11 H new ATOM 0 HG11 VAL A 27 22.997 -9.813 2.433 1.00 70.40 H new ATOM 0 HG12 VAL A 27 22.450 -10.610 0.939 1.00 70.40 H new ATOM 0 HG13 VAL A 27 22.382 -8.837 1.078 1.00 70.40 H new ATOM 0 HG21 VAL A 27 21.357 -8.814 3.987 1.00 41.40 H new ATOM 0 HG22 VAL A 27 20.674 -7.798 2.696 1.00 41.40 H new ATOM 0 HG23 VAL A 27 19.616 -8.886 3.625 1.00 41.40 H new ATOM 406 N ASP A 28 20.923 -10.554 -0.977 1.00 54.12 N ATOM 407 CA ASP A 28 21.306 -11.499 -2.020 1.00 32.03 C ATOM 408 C ASP A 28 22.547 -12.286 -1.610 1.00 74.21 C ATOM 409 O ASP A 28 22.609 -13.503 -1.789 1.00 41.42 O ATOM 410 CB ASP A 28 21.565 -10.763 -3.335 1.00 53.11 C ATOM 411 CG ASP A 28 20.286 -10.270 -3.984 1.00 64.01 C ATOM 412 OD1 ASP A 28 19.561 -11.100 -4.572 1.00 12.32 O ATOM 413 OD2 ASP A 28 20.011 -9.055 -3.904 1.00 10.23 O ATOM 0 H ASP A 28 21.303 -9.615 -1.098 1.00 54.12 H new ATOM 0 HA ASP A 28 20.483 -12.200 -2.161 1.00 32.03 H new ATOM 0 HB2 ASP A 28 22.225 -9.916 -3.150 1.00 53.11 H new ATOM 0 HB3 ASP A 28 22.086 -11.428 -4.024 1.00 53.11 H new ATOM 418 N ARG A 29 23.532 -11.584 -1.061 1.00 1.12 N ATOM 419 CA ARG A 29 24.772 -12.217 -0.628 1.00 42.31 C ATOM 420 C ARG A 29 25.288 -11.578 0.658 1.00 23.32 C ATOM 421 O ARG A 29 24.992 -10.421 0.951 1.00 55.24 O ATOM 422 CB ARG A 29 25.834 -12.110 -1.725 1.00 34.15 C ATOM 423 CG ARG A 29 27.087 -12.922 -1.440 1.00 12.20 C ATOM 424 CD ARG A 29 26.773 -14.404 -1.308 1.00 54.22 C ATOM 425 NE ARG A 29 27.959 -15.234 -1.497 1.00 43.25 N ATOM 426 CZ ARG A 29 27.937 -16.562 -1.482 1.00 3.12 C ATOM 427 NH1 ARG A 29 26.796 -17.207 -1.287 1.00 75.10 N ATOM 428 NH2 ARG A 29 29.059 -17.247 -1.662 1.00 21.43 N ATOM 0 H ARG A 29 23.496 -10.577 -0.905 1.00 1.12 H new ATOM 0 HA ARG A 29 24.565 -13.269 -0.433 1.00 42.31 H new ATOM 0 HB2 ARG A 29 25.403 -12.442 -2.670 1.00 34.15 H new ATOM 0 HB3 ARG A 29 26.110 -11.063 -1.851 1.00 34.15 H new ATOM 0 HG2 ARG A 29 27.809 -12.772 -2.243 1.00 12.20 H new ATOM 0 HG3 ARG A 29 27.552 -12.564 -0.521 1.00 12.20 H new ATOM 0 HD2 ARG A 29 26.348 -14.598 -0.323 1.00 54.22 H new ATOM 0 HD3 ARG A 29 26.016 -14.681 -2.042 1.00 54.22 H new ATOM 0 HE ARG A 29 28.854 -14.769 -1.649 1.00 43.25 H new ATOM 0 HH11 ARG A 29 25.932 -16.684 -1.148 1.00 75.10 H new ATOM 0 HH12 ARG A 29 26.782 -18.227 -1.276 1.00 75.10 H new ATOM 0 HH21 ARG A 29 29.939 -16.754 -1.812 1.00 21.43 H new ATOM 0 HH22 ARG A 29 29.041 -18.267 -1.650 1.00 21.43 H new ATOM 442 N ASN A 30 26.062 -12.342 1.423 1.00 61.03 N ATOM 443 CA ASN A 30 26.619 -11.851 2.678 1.00 33.43 C ATOM 444 C ASN A 30 27.725 -10.833 2.422 1.00 64.14 C ATOM 445 O ASN A 30 28.759 -11.158 1.838 1.00 31.33 O ATOM 446 CB ASN A 30 27.164 -13.016 3.508 1.00 52.40 C ATOM 447 CG ASN A 30 28.031 -13.953 2.690 1.00 52.25 C ATOM 448 OD1 ASN A 30 29.192 -13.655 2.408 1.00 32.42 O ATOM 449 ND2 ASN A 30 27.469 -15.092 2.303 1.00 72.21 N ATOM 0 H ASN A 30 26.317 -13.303 1.196 1.00 61.03 H new ATOM 0 HA ASN A 30 25.820 -11.360 3.233 1.00 33.43 H new ATOM 0 HB2 ASN A 30 27.745 -12.623 4.342 1.00 52.40 H new ATOM 0 HB3 ASN A 30 26.331 -13.575 3.935 1.00 52.40 H new ATOM 0 HD21 ASN A 30 28.003 -15.762 1.749 1.00 72.21 H new ATOM 0 HD22 ASN A 30 26.503 -15.297 2.560 1.00 72.21 H new ATOM 456 N ALA A 31 27.501 -9.600 2.862 1.00 13.43 N ATOM 457 CA ALA A 31 28.479 -8.534 2.683 1.00 63.31 C ATOM 458 C ALA A 31 28.515 -7.612 3.897 1.00 44.02 C ATOM 459 O ALA A 31 27.479 -7.304 4.487 1.00 44.40 O ATOM 460 CB ALA A 31 28.170 -7.740 1.423 1.00 55.31 C ATOM 0 H ALA A 31 26.650 -9.314 3.346 1.00 13.43 H new ATOM 0 HA ALA A 31 29.463 -8.991 2.578 1.00 63.31 H new ATOM 0 HB1 ALA A 31 28.908 -6.947 1.302 1.00 55.31 H new ATOM 0 HB2 ALA A 31 28.204 -8.402 0.558 1.00 55.31 H new ATOM 0 HB3 ALA A 31 27.176 -7.300 1.505 1.00 55.31 H new ATOM 466 N THR A 32 29.715 -7.174 4.266 1.00 22.23 N ATOM 467 CA THR A 32 29.886 -6.289 5.411 1.00 4.31 C ATOM 468 C THR A 32 29.918 -4.828 4.976 1.00 14.14 C ATOM 469 O THR A 32 30.908 -4.358 4.417 1.00 74.14 O ATOM 470 CB THR A 32 31.181 -6.611 6.182 1.00 55.21 C ATOM 471 OG1 THR A 32 31.153 -7.967 6.641 1.00 53.02 O ATOM 472 CG2 THR A 32 31.352 -5.673 7.367 1.00 45.52 C ATOM 0 H THR A 32 30.582 -7.418 3.788 1.00 22.23 H new ATOM 0 HA THR A 32 29.031 -6.452 6.067 1.00 4.31 H new ATOM 0 HB THR A 32 32.025 -6.474 5.505 1.00 55.21 H new ATOM 0 HG1 THR A 32 31.980 -8.165 7.128 1.00 53.02 H new ATOM 0 HG21 THR A 32 32.273 -5.919 7.896 1.00 45.52 H new ATOM 0 HG22 THR A 32 31.402 -4.644 7.012 1.00 45.52 H new ATOM 0 HG23 THR A 32 30.504 -5.783 8.043 1.00 45.52 H new ATOM 480 N ALA A 33 28.828 -4.114 5.238 1.00 34.05 N ATOM 481 CA ALA A 33 28.732 -2.705 4.877 1.00 71.34 C ATOM 482 C ALA A 33 28.080 -1.895 5.992 1.00 4.01 C ATOM 483 O ALA A 33 27.231 -2.401 6.726 1.00 40.42 O ATOM 484 CB ALA A 33 27.951 -2.545 3.580 1.00 23.34 C ATOM 0 H ALA A 33 27.999 -4.489 5.699 1.00 34.05 H new ATOM 0 HA ALA A 33 29.742 -2.324 4.730 1.00 71.34 H new ATOM 0 HB1 ALA A 33 27.887 -1.488 3.322 1.00 23.34 H new ATOM 0 HB2 ALA A 33 28.460 -3.084 2.780 1.00 23.34 H new ATOM 0 HB3 ALA A 33 26.947 -2.949 3.708 1.00 23.34 H new ATOM 490 N VAL A 34 28.484 -0.634 6.115 1.00 23.51 N ATOM 491 CA VAL A 34 27.939 0.246 7.141 1.00 4.23 C ATOM 492 C VAL A 34 27.019 1.297 6.531 1.00 35.03 C ATOM 493 O VAL A 34 27.469 2.195 5.820 1.00 11.32 O ATOM 494 CB VAL A 34 29.060 0.955 7.926 1.00 72.53 C ATOM 495 CG1 VAL A 34 30.101 1.523 6.974 1.00 50.42 C ATOM 496 CG2 VAL A 34 28.481 2.048 8.811 1.00 72.12 C ATOM 0 H VAL A 34 29.187 -0.200 5.517 1.00 23.51 H new ATOM 0 HA VAL A 34 27.367 -0.381 7.825 1.00 4.23 H new ATOM 0 HB VAL A 34 29.551 0.223 8.567 1.00 72.53 H new ATOM 0 HG11 VAL A 34 30.885 2.020 7.546 1.00 50.42 H new ATOM 0 HG12 VAL A 34 30.537 0.714 6.387 1.00 50.42 H new ATOM 0 HG13 VAL A 34 29.628 2.242 6.305 1.00 50.42 H new ATOM 0 HG21 VAL A 34 29.286 2.538 9.358 1.00 72.12 H new ATOM 0 HG22 VAL A 34 27.964 2.781 8.192 1.00 72.12 H new ATOM 0 HG23 VAL A 34 27.777 1.609 9.518 1.00 72.12 H new ATOM 506 N VAL A 35 25.725 1.179 6.815 1.00 62.33 N ATOM 507 CA VAL A 35 24.740 2.119 6.295 1.00 14.44 C ATOM 508 C VAL A 35 23.882 2.692 7.418 1.00 2.52 C ATOM 509 O VAL A 35 23.493 1.978 8.342 1.00 10.52 O ATOM 510 CB VAL A 35 23.822 1.453 5.253 1.00 64.11 C ATOM 511 CG1 VAL A 35 22.877 2.476 4.642 1.00 71.22 C ATOM 512 CG2 VAL A 35 24.650 0.769 4.175 1.00 3.22 C ATOM 0 H VAL A 35 25.335 0.442 7.402 1.00 62.33 H new ATOM 0 HA VAL A 35 25.295 2.926 5.816 1.00 14.44 H new ATOM 0 HB VAL A 35 23.222 0.694 5.755 1.00 64.11 H new ATOM 0 HG11 VAL A 35 22.236 1.987 3.908 1.00 71.22 H new ATOM 0 HG12 VAL A 35 22.261 2.916 5.426 1.00 71.22 H new ATOM 0 HG13 VAL A 35 23.456 3.260 4.153 1.00 71.22 H new ATOM 0 HG21 VAL A 35 23.986 0.303 3.447 1.00 3.22 H new ATOM 0 HG22 VAL A 35 25.277 1.507 3.675 1.00 3.22 H new ATOM 0 HG23 VAL A 35 25.281 0.006 4.630 1.00 3.22 H new ATOM 522 N SER A 36 23.591 3.986 7.331 1.00 14.42 N ATOM 523 CA SER A 36 22.781 4.657 8.342 1.00 43.32 C ATOM 524 C SER A 36 21.745 5.568 7.691 1.00 51.21 C ATOM 525 O SER A 36 21.825 5.864 6.498 1.00 15.23 O ATOM 526 CB SER A 36 23.673 5.470 9.282 1.00 11.52 C ATOM 527 OG SER A 36 24.051 6.701 8.690 1.00 73.04 O ATOM 0 H SER A 36 23.904 4.591 6.571 1.00 14.42 H new ATOM 0 HA SER A 36 22.257 3.894 8.918 1.00 43.32 H new ATOM 0 HB2 SER A 36 23.144 5.660 10.216 1.00 11.52 H new ATOM 0 HB3 SER A 36 24.564 4.894 9.531 1.00 11.52 H new ATOM 0 HG SER A 36 24.619 7.202 9.312 1.00 73.04 H new ATOM 533 N ILE A 37 20.773 6.009 8.483 1.00 4.00 N ATOM 534 CA ILE A 37 19.722 6.887 7.985 1.00 33.12 C ATOM 535 C ILE A 37 19.844 8.285 8.582 1.00 31.33 C ATOM 536 O ILE A 37 20.329 8.453 9.701 1.00 31.31 O ATOM 537 CB ILE A 37 18.323 6.326 8.302 1.00 30.24 C ATOM 538 CG1 ILE A 37 17.749 7.002 9.549 1.00 52.41 C ATOM 539 CG2 ILE A 37 18.388 4.818 8.494 1.00 21.00 C ATOM 540 CD1 ILE A 37 18.403 6.552 10.836 1.00 1.33 C ATOM 0 H ILE A 37 20.692 5.772 9.472 1.00 4.00 H new ATOM 0 HA ILE A 37 19.845 6.945 6.904 1.00 33.12 H new ATOM 0 HB ILE A 37 17.664 6.538 7.460 1.00 30.24 H new ATOM 0 HG12 ILE A 37 17.862 8.082 9.452 1.00 52.41 H new ATOM 0 HG13 ILE A 37 16.680 6.797 9.604 1.00 52.41 H new ATOM 0 HG21 ILE A 37 17.392 4.436 8.717 1.00 21.00 H new ATOM 0 HG22 ILE A 37 18.760 4.351 7.582 1.00 21.00 H new ATOM 0 HG23 ILE A 37 19.059 4.585 9.320 1.00 21.00 H new ATOM 0 HD11 ILE A 37 17.946 7.072 11.678 1.00 1.33 H new ATOM 0 HD12 ILE A 37 18.267 5.477 10.957 1.00 1.33 H new ATOM 0 HD13 ILE A 37 19.468 6.782 10.803 1.00 1.33 H new ATOM 552 N SER A 38 19.399 9.285 7.829 1.00 51.13 N ATOM 553 CA SER A 38 19.460 10.670 8.282 1.00 30.44 C ATOM 554 C SER A 38 18.970 11.620 7.194 1.00 13.03 C ATOM 555 O SER A 38 18.700 11.206 6.068 1.00 64.34 O ATOM 556 CB SER A 38 20.890 11.033 8.687 1.00 51.42 C ATOM 557 OG SER A 38 21.432 12.013 7.818 1.00 11.23 O ATOM 0 H SER A 38 18.992 9.162 6.902 1.00 51.13 H new ATOM 0 HA SER A 38 18.807 10.772 9.149 1.00 30.44 H new ATOM 0 HB2 SER A 38 20.898 11.406 9.711 1.00 51.42 H new ATOM 0 HB3 SER A 38 21.515 10.140 8.668 1.00 51.42 H new ATOM 0 HG SER A 38 22.346 12.229 8.098 1.00 11.23 H new ATOM 563 N GLY A 39 18.856 12.899 7.541 1.00 64.31 N ATOM 564 CA GLY A 39 18.399 13.889 6.584 1.00 53.01 C ATOM 565 C GLY A 39 18.084 15.222 7.234 1.00 22.32 C ATOM 566 O GLY A 39 18.172 16.269 6.594 1.00 30.32 O ATOM 0 H GLY A 39 19.072 13.266 8.468 1.00 64.31 H new ATOM 0 HA2 GLY A 39 19.164 14.032 5.821 1.00 53.01 H new ATOM 0 HA3 GLY A 39 17.509 13.516 6.077 1.00 53.01 H new ATOM 595 N ASP A 43 12.839 12.268 14.055 1.00 15.21 N ATOM 596 CA ASP A 43 11.429 12.181 13.692 1.00 31.20 C ATOM 597 C ASP A 43 11.064 10.762 13.267 1.00 63.14 C ATOM 598 O ASP A 43 9.960 10.288 13.532 1.00 0.23 O ATOM 599 CB ASP A 43 11.109 13.163 12.564 1.00 70.11 C ATOM 600 CG ASP A 43 11.615 12.683 11.218 1.00 45.31 C ATOM 601 OD1 ASP A 43 10.944 11.830 10.601 1.00 12.33 O ATOM 602 OD2 ASP A 43 12.684 13.160 10.781 1.00 1.44 O ATOM 0 HA ASP A 43 10.837 12.442 14.569 1.00 31.20 H new ATOM 0 HB2 ASP A 43 10.031 13.312 12.511 1.00 70.11 H new ATOM 0 HB3 ASP A 43 11.554 14.131 12.792 1.00 70.11 H new ATOM 607 N ALA A 44 12.000 10.090 12.604 1.00 74.52 N ATOM 608 CA ALA A 44 11.777 8.725 12.142 1.00 21.14 C ATOM 609 C ALA A 44 12.621 7.733 12.935 1.00 20.25 C ATOM 610 O ALA A 44 13.837 7.890 13.051 1.00 54.32 O ATOM 611 CB ALA A 44 12.085 8.613 10.657 1.00 41.34 C ATOM 0 H ALA A 44 12.919 10.468 12.375 1.00 74.52 H new ATOM 0 HA ALA A 44 10.727 8.480 12.303 1.00 21.14 H new ATOM 0 HB1 ALA A 44 11.914 7.589 10.326 1.00 41.34 H new ATOM 0 HB2 ALA A 44 11.436 9.288 10.099 1.00 41.34 H new ATOM 0 HB3 ALA A 44 13.126 8.882 10.480 1.00 41.34 H new ATOM 617 N ASP A 45 11.969 6.712 13.481 1.00 70.14 N ATOM 618 CA ASP A 45 12.660 5.693 14.263 1.00 11.50 C ATOM 619 C ASP A 45 13.150 4.560 13.367 1.00 4.15 C ATOM 620 O ASP A 45 12.569 4.290 12.316 1.00 62.24 O ATOM 621 CB ASP A 45 11.735 5.139 15.348 1.00 4.11 C ATOM 622 CG ASP A 45 10.999 6.233 16.096 1.00 51.33 C ATOM 623 OD1 ASP A 45 10.104 6.863 15.495 1.00 50.15 O ATOM 624 OD2 ASP A 45 11.318 6.460 17.282 1.00 41.33 O ATOM 0 H ASP A 45 10.963 6.568 13.396 1.00 70.14 H new ATOM 0 HA ASP A 45 13.525 6.157 14.736 1.00 11.50 H new ATOM 0 HB2 ASP A 45 11.011 4.463 14.893 1.00 4.11 H new ATOM 0 HB3 ASP A 45 12.320 4.550 16.054 1.00 4.11 H new ATOM 629 N LEU A 46 14.223 3.901 13.790 1.00 5.14 N ATOM 630 CA LEU A 46 14.794 2.797 13.026 1.00 34.13 C ATOM 631 C LEU A 46 14.757 1.502 13.831 1.00 24.22 C ATOM 632 O LEU A 46 14.972 1.506 15.044 1.00 55.33 O ATOM 633 CB LEU A 46 16.233 3.120 12.623 1.00 63.23 C ATOM 634 CG LEU A 46 17.017 1.984 11.965 1.00 72.44 C ATOM 635 CD1 LEU A 46 17.920 2.524 10.867 1.00 71.13 C ATOM 636 CD2 LEU A 46 17.831 1.226 13.003 1.00 22.00 C ATOM 0 H LEU A 46 14.715 4.112 14.658 1.00 5.14 H new ATOM 0 HA LEU A 46 14.194 2.661 12.126 1.00 34.13 H new ATOM 0 HB2 LEU A 46 16.216 3.967 11.937 1.00 63.23 H new ATOM 0 HB3 LEU A 46 16.775 3.441 13.513 1.00 63.23 H new ATOM 0 HG LEU A 46 16.306 1.292 11.514 1.00 72.44 H new ATOM 0 HD11 LEU A 46 18.470 1.701 10.410 1.00 71.13 H new ATOM 0 HD12 LEU A 46 17.314 3.020 10.109 1.00 71.13 H new ATOM 0 HD13 LEU A 46 18.624 3.238 11.294 1.00 71.13 H new ATOM 0 HD21 LEU A 46 18.382 0.421 12.516 1.00 22.00 H new ATOM 0 HD22 LEU A 46 18.533 1.908 13.484 1.00 22.00 H new ATOM 0 HD23 LEU A 46 17.162 0.805 13.754 1.00 22.00 H new ATOM 648 N TYR A 47 14.487 0.395 13.149 1.00 62.32 N ATOM 649 CA TYR A 47 14.423 -0.908 13.800 1.00 31.22 C ATOM 650 C TYR A 47 14.753 -2.026 12.816 1.00 72.21 C ATOM 651 O TYR A 47 14.382 -1.967 11.643 1.00 40.52 O ATOM 652 CB TYR A 47 13.034 -1.134 14.399 1.00 33.31 C ATOM 653 CG TYR A 47 12.737 -0.253 15.591 1.00 4.32 C ATOM 654 CD1 TYR A 47 12.152 0.997 15.428 1.00 65.11 C ATOM 655 CD2 TYR A 47 13.042 -0.670 16.881 1.00 34.12 C ATOM 656 CE1 TYR A 47 11.881 1.806 16.514 1.00 32.22 C ATOM 657 CE2 TYR A 47 12.772 0.132 17.974 1.00 61.45 C ATOM 658 CZ TYR A 47 12.192 1.369 17.785 1.00 62.21 C ATOM 659 OH TYR A 47 11.922 2.171 18.870 1.00 51.13 O ATOM 0 H TYR A 47 14.309 0.374 12.145 1.00 62.32 H new ATOM 0 HA TYR A 47 15.163 -0.923 14.600 1.00 31.22 H new ATOM 0 HB2 TYR A 47 12.283 -0.955 13.630 1.00 33.31 H new ATOM 0 HB3 TYR A 47 12.942 -2.178 14.698 1.00 33.31 H new ATOM 0 HD1 TYR A 47 11.905 1.342 14.435 1.00 65.11 H new ATOM 0 HD2 TYR A 47 13.498 -1.637 17.032 1.00 34.12 H new ATOM 0 HE1 TYR A 47 11.428 2.776 16.369 1.00 32.22 H new ATOM 0 HE2 TYR A 47 13.014 -0.208 18.970 1.00 61.45 H new ATOM 0 HH TYR A 47 12.201 1.715 19.691 1.00 51.13 H new ATOM 669 N LEU A 48 15.452 -3.046 13.302 1.00 13.00 N ATOM 670 CA LEU A 48 15.832 -4.180 12.467 1.00 43.11 C ATOM 671 C LEU A 48 15.710 -5.490 13.239 1.00 51.14 C ATOM 672 O LEU A 48 16.152 -5.593 14.383 1.00 43.11 O ATOM 673 CB LEU A 48 17.265 -4.006 11.959 1.00 74.25 C ATOM 674 CG LEU A 48 17.540 -4.511 10.542 1.00 52.04 C ATOM 675 CD1 LEU A 48 19.004 -4.315 10.180 1.00 11.30 C ATOM 676 CD2 LEU A 48 17.148 -5.976 10.412 1.00 42.31 C ATOM 0 H LEU A 48 15.767 -3.111 14.270 1.00 13.00 H new ATOM 0 HA LEU A 48 15.152 -4.217 11.616 1.00 43.11 H new ATOM 0 HB2 LEU A 48 17.518 -2.947 12.001 1.00 74.25 H new ATOM 0 HB3 LEU A 48 17.937 -4.522 12.644 1.00 74.25 H new ATOM 0 HG LEU A 48 16.934 -3.930 9.846 1.00 52.04 H new ATOM 0 HD11 LEU A 48 19.181 -4.680 9.168 1.00 11.30 H new ATOM 0 HD12 LEU A 48 19.253 -3.255 10.232 1.00 11.30 H new ATOM 0 HD13 LEU A 48 19.629 -4.869 10.880 1.00 11.30 H new ATOM 0 HD21 LEU A 48 17.351 -6.318 9.397 1.00 42.31 H new ATOM 0 HD22 LEU A 48 17.727 -6.572 11.118 1.00 42.31 H new ATOM 0 HD23 LEU A 48 16.085 -6.089 10.628 1.00 42.31 H new ATOM 688 N LYS A 49 15.108 -6.490 12.604 1.00 64.40 N ATOM 689 CA LYS A 49 14.930 -7.796 13.228 1.00 3.02 C ATOM 690 C LYS A 49 14.948 -8.906 12.182 1.00 33.12 C ATOM 691 O LYS A 49 14.238 -8.837 11.179 1.00 63.40 O ATOM 692 CB LYS A 49 13.614 -7.836 14.008 1.00 61.10 C ATOM 693 CG LYS A 49 13.785 -8.210 15.470 1.00 34.31 C ATOM 694 CD LYS A 49 12.523 -8.841 16.035 1.00 31.10 C ATOM 695 CE LYS A 49 12.659 -9.122 17.524 1.00 54.12 C ATOM 696 NZ LYS A 49 11.456 -9.810 18.070 1.00 24.22 N ATOM 0 H LYS A 49 14.735 -6.421 11.657 1.00 64.40 H new ATOM 0 HA LYS A 49 15.759 -7.958 13.917 1.00 3.02 H new ATOM 0 HB2 LYS A 49 13.134 -6.859 13.945 1.00 61.10 H new ATOM 0 HB3 LYS A 49 12.942 -8.552 13.535 1.00 61.10 H new ATOM 0 HG2 LYS A 49 14.618 -8.905 15.574 1.00 34.31 H new ATOM 0 HG3 LYS A 49 14.038 -7.321 16.047 1.00 34.31 H new ATOM 0 HD2 LYS A 49 11.675 -8.177 15.865 1.00 31.10 H new ATOM 0 HD3 LYS A 49 12.311 -9.770 15.506 1.00 31.10 H new ATOM 0 HE2 LYS A 49 13.541 -9.739 17.698 1.00 54.12 H new ATOM 0 HE3 LYS A 49 12.815 -8.185 18.058 1.00 54.12 H new ATOM 0 HZ1 LYS A 49 11.280 -9.483 19.041 1.00 24.22 H new ATOM 0 HZ2 LYS A 49 10.631 -9.591 17.476 1.00 24.22 H new ATOM 0 HZ3 LYS A 49 11.616 -10.838 18.075 1.00 24.22 H new ATOM 710 N ALA A 50 15.761 -9.928 12.424 1.00 25.54 N ATOM 711 CA ALA A 50 15.868 -11.055 11.505 1.00 51.50 C ATOM 712 C ALA A 50 14.729 -12.047 11.718 1.00 45.52 C ATOM 713 O ALA A 50 14.777 -12.876 12.625 1.00 64.10 O ATOM 714 CB ALA A 50 17.212 -11.747 11.672 1.00 23.13 C ATOM 0 H ALA A 50 16.356 -9.999 13.249 1.00 25.54 H new ATOM 0 HA ALA A 50 15.794 -10.671 10.488 1.00 51.50 H new ATOM 0 HB1 ALA A 50 17.278 -12.586 10.980 1.00 23.13 H new ATOM 0 HB2 ALA A 50 18.014 -11.040 11.462 1.00 23.13 H new ATOM 0 HB3 ALA A 50 17.309 -12.112 12.695 1.00 23.13 H new ATOM 720 N GLY A 51 13.705 -11.955 10.875 1.00 0.51 N ATOM 721 CA GLY A 51 12.568 -12.850 10.989 1.00 43.42 C ATOM 722 C GLY A 51 11.269 -12.108 11.230 1.00 35.15 C ATOM 723 O GLY A 51 10.578 -11.728 10.285 1.00 11.12 O ATOM 0 H GLY A 51 13.642 -11.277 10.115 1.00 0.51 H new ATOM 0 HA2 GLY A 51 12.482 -13.441 10.077 1.00 43.42 H new ATOM 0 HA3 GLY A 51 12.741 -13.549 11.807 1.00 43.42 H new ATOM 727 N SER A 52 10.933 -11.903 12.500 1.00 21.43 N ATOM 728 CA SER A 52 9.704 -11.207 12.864 1.00 63.44 C ATOM 729 C SER A 52 9.948 -9.707 12.995 1.00 61.13 C ATOM 730 O SER A 52 10.863 -9.273 13.695 1.00 32.35 O ATOM 731 CB SER A 52 9.148 -11.762 14.177 1.00 43.14 C ATOM 732 OG SER A 52 8.849 -13.142 14.061 1.00 23.23 O ATOM 0 H SER A 52 11.495 -12.209 13.294 1.00 21.43 H new ATOM 0 HA SER A 52 8.974 -11.371 12.071 1.00 63.44 H new ATOM 0 HB2 SER A 52 9.874 -11.610 14.976 1.00 43.14 H new ATOM 0 HB3 SER A 52 8.248 -11.214 14.455 1.00 43.14 H new ATOM 0 HG SER A 52 8.497 -13.473 14.914 1.00 23.23 H new ATOM 738 N LYS A 53 9.123 -8.918 12.315 1.00 72.42 N ATOM 739 CA LYS A 53 9.246 -7.466 12.354 1.00 34.03 C ATOM 740 C LYS A 53 9.500 -6.980 13.778 1.00 71.04 C ATOM 741 O LYS A 53 8.842 -7.401 14.730 1.00 44.13 O ATOM 742 CB LYS A 53 7.979 -6.811 11.799 1.00 33.22 C ATOM 743 CG LYS A 53 6.807 -6.836 12.766 1.00 64.42 C ATOM 744 CD LYS A 53 6.750 -5.571 13.605 1.00 33.12 C ATOM 745 CE LYS A 53 5.901 -4.499 12.940 1.00 53.14 C ATOM 746 NZ LYS A 53 4.464 -4.619 13.312 1.00 11.32 N ATOM 0 H LYS A 53 8.361 -9.261 11.730 1.00 72.42 H new ATOM 0 HA LYS A 53 10.096 -7.181 11.734 1.00 34.03 H new ATOM 0 HB2 LYS A 53 8.200 -5.777 11.536 1.00 33.22 H new ATOM 0 HB3 LYS A 53 7.691 -7.319 10.879 1.00 33.22 H new ATOM 0 HG2 LYS A 53 5.877 -6.946 12.209 1.00 64.42 H new ATOM 0 HG3 LYS A 53 6.892 -7.704 13.420 1.00 64.42 H new ATOM 0 HD2 LYS A 53 6.340 -5.803 14.588 1.00 33.12 H new ATOM 0 HD3 LYS A 53 7.760 -5.192 13.762 1.00 33.12 H new ATOM 0 HE2 LYS A 53 6.269 -3.514 13.227 1.00 53.14 H new ATOM 0 HE3 LYS A 53 6.003 -4.574 11.857 1.00 53.14 H new ATOM 0 HZ1 LYS A 53 3.919 -3.870 12.838 1.00 11.32 H new ATOM 0 HZ2 LYS A 53 4.105 -5.549 13.015 1.00 11.32 H new ATOM 0 HZ3 LYS A 53 4.363 -4.522 14.342 1.00 11.32 H new ATOM 760 N PRO A 54 10.475 -6.072 13.928 1.00 2.34 N ATOM 761 CA PRO A 54 10.837 -5.507 15.232 1.00 32.41 C ATOM 762 C PRO A 54 9.757 -4.583 15.783 1.00 34.15 C ATOM 763 O PRO A 54 9.113 -3.847 15.035 1.00 12.11 O ATOM 764 CB PRO A 54 12.115 -4.719 14.935 1.00 12.02 C ATOM 765 CG PRO A 54 12.022 -4.378 13.488 1.00 12.30 C ATOM 766 CD PRO A 54 11.300 -5.525 12.838 1.00 72.24 C ATOM 0 HA PRO A 54 10.963 -6.280 15.990 1.00 32.41 H new ATOM 0 HB2 PRO A 54 12.179 -3.821 15.550 1.00 12.02 H new ATOM 0 HB3 PRO A 54 13.004 -5.313 15.145 1.00 12.02 H new ATOM 0 HG2 PRO A 54 11.481 -3.443 13.341 1.00 12.30 H new ATOM 0 HG3 PRO A 54 13.013 -4.244 13.054 1.00 12.30 H new ATOM 0 HD2 PRO A 54 10.688 -5.191 12.000 1.00 72.24 H new ATOM 0 HD3 PRO A 54 11.996 -6.269 12.449 1.00 72.24 H new ATOM 774 N THR A 55 9.562 -4.625 17.098 1.00 23.40 N ATOM 775 CA THR A 55 8.560 -3.792 17.750 1.00 74.34 C ATOM 776 C THR A 55 9.212 -2.668 18.545 1.00 10.42 C ATOM 777 O THR A 55 10.438 -2.561 18.601 1.00 73.53 O ATOM 778 CB THR A 55 7.667 -4.621 18.692 1.00 74.42 C ATOM 779 OG1 THR A 55 8.297 -4.758 19.970 1.00 23.21 O ATOM 780 CG2 THR A 55 7.393 -5.998 18.106 1.00 71.23 C ATOM 0 H THR A 55 10.086 -5.228 17.732 1.00 23.40 H new ATOM 0 HA THR A 55 7.943 -3.364 16.960 1.00 74.34 H new ATOM 0 HB THR A 55 6.718 -4.098 18.810 1.00 74.42 H new ATOM 0 HG1 THR A 55 7.722 -5.285 20.563 1.00 23.21 H new ATOM 0 HG21 THR A 55 6.760 -6.565 18.789 1.00 71.23 H new ATOM 0 HG22 THR A 55 6.886 -5.891 17.147 1.00 71.23 H new ATOM 0 HG23 THR A 55 8.336 -6.526 17.962 1.00 71.23 H new ATOM 788 N THR A 56 8.385 -1.828 19.162 1.00 64.42 N ATOM 789 CA THR A 56 8.882 -0.711 19.954 1.00 1.25 C ATOM 790 C THR A 56 9.689 -1.201 21.151 1.00 33.24 C ATOM 791 O THR A 56 10.417 -0.432 21.778 1.00 23.12 O ATOM 792 CB THR A 56 7.729 0.178 20.457 1.00 53.23 C ATOM 793 OG1 THR A 56 6.834 -0.592 21.267 1.00 55.14 O ATOM 794 CG2 THR A 56 6.967 0.788 19.289 1.00 24.41 C ATOM 0 H THR A 56 7.368 -1.901 19.128 1.00 64.42 H new ATOM 0 HA THR A 56 9.527 -0.123 19.301 1.00 1.25 H new ATOM 0 HB THR A 56 8.155 0.985 21.054 1.00 53.23 H new ATOM 0 HG1 THR A 56 6.105 -0.019 21.584 1.00 55.14 H new ATOM 0 HG21 THR A 56 6.158 1.412 19.669 1.00 24.41 H new ATOM 0 HG22 THR A 56 7.645 1.397 18.691 1.00 24.41 H new ATOM 0 HG23 THR A 56 6.552 -0.008 18.670 1.00 24.41 H new ATOM 802 N SER A 57 9.554 -2.486 21.463 1.00 25.32 N ATOM 803 CA SER A 57 10.269 -3.079 22.588 1.00 41.23 C ATOM 804 C SER A 57 11.197 -4.194 22.115 1.00 43.50 C ATOM 805 O SER A 57 12.205 -4.491 22.757 1.00 73.44 O ATOM 806 CB SER A 57 9.279 -3.627 23.617 1.00 13.41 C ATOM 807 OG SER A 57 8.662 -2.576 24.340 1.00 15.24 O ATOM 0 H SER A 57 8.956 -3.136 20.953 1.00 25.32 H new ATOM 0 HA SER A 57 10.873 -2.300 23.054 1.00 41.23 H new ATOM 0 HB2 SER A 57 8.517 -4.222 23.113 1.00 13.41 H new ATOM 0 HB3 SER A 57 9.798 -4.292 24.307 1.00 13.41 H new ATOM 0 HG SER A 57 8.032 -2.952 24.990 1.00 15.24 H new ATOM 813 N SER A 58 10.850 -4.806 20.988 1.00 73.22 N ATOM 814 CA SER A 58 11.649 -5.891 20.430 1.00 54.03 C ATOM 815 C SER A 58 12.487 -5.399 19.254 1.00 54.04 C ATOM 816 O SER A 58 11.960 -4.827 18.299 1.00 45.10 O ATOM 817 CB SER A 58 10.744 -7.040 19.981 1.00 70.13 C ATOM 818 OG SER A 58 10.880 -8.161 20.837 1.00 63.01 O ATOM 0 H SER A 58 10.021 -4.569 20.443 1.00 73.22 H new ATOM 0 HA SER A 58 12.322 -6.251 21.208 1.00 54.03 H new ATOM 0 HB2 SER A 58 9.706 -6.708 19.974 1.00 70.13 H new ATOM 0 HB3 SER A 58 10.994 -7.326 18.959 1.00 70.13 H new ATOM 0 HG SER A 58 10.223 -8.844 20.588 1.00 63.01 H new ATOM 824 N TRP A 59 13.793 -5.626 19.331 1.00 52.15 N ATOM 825 CA TRP A 59 14.705 -5.206 18.273 1.00 50.03 C ATOM 826 C TRP A 59 15.929 -6.113 18.218 1.00 45.30 C ATOM 827 O TRP A 59 16.317 -6.709 19.223 1.00 72.32 O ATOM 828 CB TRP A 59 15.138 -3.755 18.491 1.00 64.41 C ATOM 829 CG TRP A 59 14.951 -3.285 19.902 1.00 75.25 C ATOM 830 CD1 TRP A 59 13.827 -2.721 20.434 1.00 11.34 C ATOM 831 CD2 TRP A 59 15.916 -3.337 20.958 1.00 75.01 C ATOM 832 NE1 TRP A 59 14.035 -2.419 21.759 1.00 43.54 N ATOM 833 CE2 TRP A 59 15.308 -2.788 22.104 1.00 3.41 C ATOM 834 CE3 TRP A 59 17.232 -3.796 21.048 1.00 43.12 C ATOM 835 CZ2 TRP A 59 15.975 -2.685 23.322 1.00 12.22 C ATOM 836 CZ3 TRP A 59 17.892 -3.693 22.257 1.00 5.14 C ATOM 837 CH2 TRP A 59 17.263 -3.142 23.382 1.00 43.24 C ATOM 0 H TRP A 59 14.244 -6.098 20.114 1.00 52.15 H new ATOM 0 HA TRP A 59 14.178 -5.281 17.322 1.00 50.03 H new ATOM 0 HB2 TRP A 59 16.188 -3.652 18.217 1.00 64.41 H new ATOM 0 HB3 TRP A 59 14.569 -3.109 17.822 1.00 64.41 H new ATOM 0 HD1 TRP A 59 12.910 -2.539 19.894 1.00 11.34 H new ATOM 0 HE1 TRP A 59 13.352 -1.990 22.384 1.00 43.54 H new ATOM 0 HE3 TRP A 59 17.725 -4.224 20.188 1.00 43.12 H new ATOM 0 HZ2 TRP A 59 15.492 -2.259 24.189 1.00 12.22 H new ATOM 0 HZ3 TRP A 59 18.911 -4.043 22.337 1.00 5.14 H new ATOM 0 HH2 TRP A 59 17.805 -3.077 24.314 1.00 43.24 H new ATOM 848 N ASP A 60 16.535 -6.212 17.040 1.00 53.24 N ATOM 849 CA ASP A 60 17.717 -7.045 16.855 1.00 71.41 C ATOM 850 C ASP A 60 18.965 -6.187 16.676 1.00 52.43 C ATOM 851 O ASP A 60 20.054 -6.557 17.115 1.00 31.43 O ATOM 852 CB ASP A 60 17.536 -7.963 15.645 1.00 60.03 C ATOM 853 CG ASP A 60 18.614 -9.025 15.557 1.00 23.22 C ATOM 854 OD1 ASP A 60 19.399 -9.154 16.520 1.00 44.44 O ATOM 855 OD2 ASP A 60 18.674 -9.727 14.526 1.00 34.40 O ATOM 0 H ASP A 60 16.227 -5.725 16.198 1.00 53.24 H new ATOM 0 HA ASP A 60 17.844 -7.656 17.749 1.00 71.41 H new ATOM 0 HB2 ASP A 60 16.560 -8.444 15.701 1.00 60.03 H new ATOM 0 HB3 ASP A 60 17.545 -7.364 14.734 1.00 60.03 H new ATOM 860 N CYS A 61 18.799 -5.039 16.027 1.00 31.31 N ATOM 861 CA CYS A 61 19.913 -4.128 15.788 1.00 74.22 C ATOM 862 C CYS A 61 19.453 -2.676 15.864 1.00 1.13 C ATOM 863 O CYS A 61 18.546 -2.263 15.142 1.00 41.44 O ATOM 864 CB CYS A 61 20.541 -4.406 14.421 1.00 1.35 C ATOM 865 SG CYS A 61 21.155 -6.095 14.220 1.00 14.44 S ATOM 0 H CYS A 61 17.904 -4.717 15.657 1.00 31.31 H new ATOM 0 HA CYS A 61 20.660 -4.295 16.564 1.00 74.22 H new ATOM 0 HB2 CYS A 61 19.802 -4.205 13.646 1.00 1.35 H new ATOM 0 HB3 CYS A 61 21.365 -3.710 14.263 1.00 1.35 H new ATOM 0 HG CYS A 61 21.062 -6.728 15.352 1.00 14.44 H new ATOM 871 N ARG A 62 20.084 -1.907 16.746 1.00 52.23 N ATOM 872 CA ARG A 62 19.738 -0.501 16.919 1.00 73.22 C ATOM 873 C ARG A 62 20.654 0.162 17.943 1.00 14.12 C ATOM 874 O ARG A 62 20.842 -0.331 19.055 1.00 21.43 O ATOM 875 CB ARG A 62 18.279 -0.364 17.358 1.00 11.45 C ATOM 876 CG ARG A 62 18.066 -0.602 18.844 1.00 14.34 C ATOM 877 CD ARG A 62 16.614 -0.382 19.241 1.00 1.01 C ATOM 878 NE ARG A 62 16.445 -0.325 20.691 1.00 45.24 N ATOM 879 CZ ARG A 62 15.441 0.305 21.289 1.00 11.23 C ATOM 880 NH1 ARG A 62 14.520 0.928 20.567 1.00 70.01 N ATOM 881 NH2 ARG A 62 15.356 0.313 22.613 1.00 32.35 N ATOM 0 H ARG A 62 20.837 -2.234 17.351 1.00 52.23 H new ATOM 0 HA ARG A 62 19.870 0.001 15.961 1.00 73.22 H new ATOM 0 HB2 ARG A 62 17.924 0.635 17.104 1.00 11.45 H new ATOM 0 HB3 ARG A 62 17.671 -1.071 16.794 1.00 11.45 H new ATOM 0 HG2 ARG A 62 18.363 -1.620 19.097 1.00 14.34 H new ATOM 0 HG3 ARG A 62 18.707 0.069 19.417 1.00 14.34 H new ATOM 0 HD2 ARG A 62 16.254 0.546 18.797 1.00 1.01 H new ATOM 0 HD3 ARG A 62 16.002 -1.188 18.836 1.00 1.01 H new ATOM 0 HE ARG A 62 17.136 -0.795 21.276 1.00 45.24 H new ATOM 0 HH11 ARG A 62 14.581 0.924 19.549 1.00 70.01 H new ATOM 0 HH12 ARG A 62 13.750 1.411 21.030 1.00 70.01 H new ATOM 0 HH21 ARG A 62 16.062 -0.165 23.172 1.00 32.35 H new ATOM 0 HH22 ARG A 62 14.584 0.797 23.072 1.00 32.35 H new ATOM 895 N PRO A 63 21.238 1.308 17.561 1.00 34.42 N ATOM 896 CA PRO A 63 22.143 2.063 18.432 1.00 64.03 C ATOM 897 C PRO A 63 21.415 2.711 19.604 1.00 55.22 C ATOM 898 O PRO A 63 22.038 3.309 20.481 1.00 41.41 O ATOM 899 CB PRO A 63 22.718 3.134 17.501 1.00 25.14 C ATOM 900 CG PRO A 63 21.688 3.306 16.439 1.00 10.14 C ATOM 901 CD PRO A 63 21.058 1.954 16.250 1.00 23.32 C ATOM 0 HA PRO A 63 22.899 1.423 18.887 1.00 64.03 H new ATOM 0 HB2 PRO A 63 22.896 4.068 18.034 1.00 25.14 H new ATOM 0 HB3 PRO A 63 23.673 2.820 17.079 1.00 25.14 H new ATOM 0 HG2 PRO A 63 20.944 4.046 16.734 1.00 10.14 H new ATOM 0 HG3 PRO A 63 22.139 3.659 15.512 1.00 10.14 H new ATOM 0 HD2 PRO A 63 20.004 2.035 15.983 1.00 23.32 H new ATOM 0 HD3 PRO A 63 21.546 1.391 15.454 1.00 23.32 H new ATOM 982 N ASN A 68 16.124 9.196 13.320 1.00 41.40 N ATOM 983 CA ASN A 68 17.165 9.561 12.366 1.00 41.12 C ATOM 984 C ASN A 68 18.547 9.464 13.005 1.00 0.41 C ATOM 985 O ASN A 68 18.700 9.661 14.210 1.00 73.32 O ATOM 986 CB ASN A 68 16.931 10.979 11.842 1.00 44.42 C ATOM 987 CG ASN A 68 18.066 11.921 12.196 1.00 10.14 C ATOM 988 OD1 ASN A 68 19.168 11.813 11.659 1.00 62.01 O ATOM 989 ND2 ASN A 68 17.800 12.851 13.106 1.00 1.31 N ATOM 0 HA ASN A 68 17.120 8.861 11.532 1.00 41.12 H new ATOM 0 HB2 ASN A 68 16.812 10.948 10.759 1.00 44.42 H new ATOM 0 HB3 ASN A 68 15.999 11.366 12.254 1.00 44.42 H new ATOM 0 HD21 ASN A 68 18.524 13.513 13.386 1.00 1.31 H new ATOM 0 HD22 ASN A 68 16.872 12.904 13.525 1.00 1.31 H new ATOM 996 N ASN A 69 19.551 9.161 12.188 1.00 32.15 N ATOM 997 CA ASN A 69 20.921 9.038 12.674 1.00 54.22 C ATOM 998 C ASN A 69 21.055 7.856 13.629 1.00 44.11 C ATOM 999 O ASN A 69 22.066 7.713 14.316 1.00 1.51 O ATOM 1000 CB ASN A 69 21.352 10.327 13.376 1.00 44.21 C ATOM 1001 CG ASN A 69 22.844 10.367 13.645 1.00 22.03 C ATOM 1002 OD1 ASN A 69 23.655 10.191 12.736 1.00 44.51 O ATOM 1003 ND2 ASN A 69 23.213 10.598 14.900 1.00 52.41 N ATOM 0 H ASN A 69 19.442 8.996 11.187 1.00 32.15 H new ATOM 0 HA ASN A 69 21.571 8.864 11.816 1.00 54.22 H new ATOM 0 HB2 ASN A 69 21.073 11.183 12.761 1.00 44.21 H new ATOM 0 HB3 ASN A 69 20.813 10.422 14.319 1.00 44.21 H new ATOM 0 HD21 ASN A 69 24.203 10.635 15.142 1.00 52.41 H new ATOM 0 HD22 ASN A 69 22.506 10.738 15.622 1.00 52.41 H new ATOM 1010 N GLU A 70 20.029 7.011 13.665 1.00 45.41 N ATOM 1011 CA GLU A 70 20.034 5.842 14.536 1.00 61.11 C ATOM 1012 C GLU A 70 19.990 4.554 13.718 1.00 13.31 C ATOM 1013 O GLU A 70 18.917 4.015 13.448 1.00 71.42 O ATOM 1014 CB GLU A 70 18.845 5.890 15.497 1.00 34.42 C ATOM 1015 CG GLU A 70 18.616 4.589 16.248 1.00 23.51 C ATOM 1016 CD GLU A 70 17.145 4.252 16.398 1.00 4.02 C ATOM 1017 OE1 GLU A 70 16.310 5.168 16.247 1.00 75.31 O ATOM 1018 OE2 GLU A 70 16.830 3.074 16.667 1.00 0.20 O ATOM 0 H GLU A 70 19.185 7.114 13.102 1.00 45.41 H new ATOM 0 HA GLU A 70 20.959 5.854 15.113 1.00 61.11 H new ATOM 0 HB2 GLU A 70 19.003 6.693 16.217 1.00 34.42 H new ATOM 0 HB3 GLU A 70 17.945 6.139 14.935 1.00 34.42 H new ATOM 0 HG2 GLU A 70 19.119 3.777 15.722 1.00 23.51 H new ATOM 0 HG3 GLU A 70 19.071 4.659 17.236 1.00 23.51 H new ATOM 1025 N SER A 71 21.163 4.068 13.327 1.00 43.13 N ATOM 1026 CA SER A 71 21.259 2.847 12.536 1.00 63.41 C ATOM 1027 C SER A 71 22.327 1.916 13.102 1.00 64.31 C ATOM 1028 O SER A 71 23.109 2.305 13.971 1.00 54.02 O ATOM 1029 CB SER A 71 21.579 3.182 11.078 1.00 64.31 C ATOM 1030 OG SER A 71 20.892 4.349 10.660 1.00 23.41 O ATOM 0 H SER A 71 22.060 4.501 13.545 1.00 43.13 H new ATOM 0 HA SER A 71 20.296 2.338 12.581 1.00 63.41 H new ATOM 0 HB2 SER A 71 22.653 3.327 10.962 1.00 64.31 H new ATOM 0 HB3 SER A 71 21.300 2.344 10.439 1.00 64.31 H new ATOM 0 HG SER A 71 21.272 5.132 11.111 1.00 23.41 H new ATOM 1036 N CYS A 72 22.354 0.685 12.603 1.00 24.24 N ATOM 1037 CA CYS A 72 23.326 -0.304 13.059 1.00 14.50 C ATOM 1038 C CYS A 72 24.189 -0.792 11.900 1.00 33.13 C ATOM 1039 O CYS A 72 23.789 -0.713 10.739 1.00 52.32 O ATOM 1040 CB CYS A 72 22.611 -1.487 13.713 1.00 23.12 C ATOM 1041 SG CYS A 72 23.370 -2.046 15.257 1.00 52.44 S ATOM 0 H CYS A 72 21.715 0.348 11.883 1.00 24.24 H new ATOM 0 HA CYS A 72 23.974 0.171 13.795 1.00 14.50 H new ATOM 0 HB2 CYS A 72 21.576 -1.209 13.909 1.00 23.12 H new ATOM 0 HB3 CYS A 72 22.589 -2.319 13.009 1.00 23.12 H new ATOM 0 HG CYS A 72 22.503 -2.729 15.944 1.00 52.44 H new ATOM 1047 N SER A 73 25.375 -1.296 12.224 1.00 2.04 N ATOM 1048 CA SER A 73 26.298 -1.792 11.210 1.00 33.41 C ATOM 1049 C SER A 73 26.756 -3.210 11.540 1.00 41.23 C ATOM 1050 O SER A 73 27.547 -3.421 12.459 1.00 43.11 O ATOM 1051 CB SER A 73 27.510 -0.866 11.096 1.00 52.04 C ATOM 1052 OG SER A 73 27.795 -0.244 12.336 1.00 1.33 O ATOM 0 H SER A 73 25.720 -1.372 13.181 1.00 2.04 H new ATOM 0 HA SER A 73 25.774 -1.811 10.255 1.00 33.41 H new ATOM 0 HB2 SER A 73 28.377 -1.436 10.764 1.00 52.04 H new ATOM 0 HB3 SER A 73 27.320 -0.105 10.339 1.00 52.04 H new ATOM 0 HG SER A 73 28.575 0.341 12.237 1.00 1.33 H new ATOM 1058 N VAL A 74 26.253 -4.179 10.782 1.00 74.10 N ATOM 1059 CA VAL A 74 26.610 -5.577 10.991 1.00 0.05 C ATOM 1060 C VAL A 74 26.540 -6.364 9.687 1.00 11.54 C ATOM 1061 O VAL A 74 25.788 -6.012 8.778 1.00 22.12 O ATOM 1062 CB VAL A 74 25.688 -6.243 12.030 1.00 54.41 C ATOM 1063 CG1 VAL A 74 26.187 -7.638 12.372 1.00 45.12 C ATOM 1064 CG2 VAL A 74 25.586 -5.382 13.280 1.00 31.45 C ATOM 0 H VAL A 74 25.597 -4.021 10.017 1.00 74.10 H new ATOM 0 HA VAL A 74 27.634 -5.589 11.364 1.00 0.05 H new ATOM 0 HB VAL A 74 24.691 -6.337 11.599 1.00 54.41 H new ATOM 0 HG11 VAL A 74 25.523 -8.092 13.107 1.00 45.12 H new ATOM 0 HG12 VAL A 74 26.203 -8.250 11.470 1.00 45.12 H new ATOM 0 HG13 VAL A 74 27.194 -7.573 12.784 1.00 45.12 H new ATOM 0 HG21 VAL A 74 24.931 -5.867 14.004 1.00 31.45 H new ATOM 0 HG22 VAL A 74 26.577 -5.255 13.716 1.00 31.45 H new ATOM 0 HG23 VAL A 74 25.177 -4.406 13.017 1.00 31.45 H new ATOM 1074 N SER A 75 27.328 -7.430 9.603 1.00 22.41 N ATOM 1075 CA SER A 75 27.358 -8.266 8.408 1.00 23.14 C ATOM 1076 C SER A 75 26.061 -9.056 8.265 1.00 53.41 C ATOM 1077 O SER A 75 25.835 -10.034 8.976 1.00 60.43 O ATOM 1078 CB SER A 75 28.549 -9.225 8.461 1.00 30.32 C ATOM 1079 OG SER A 75 28.259 -10.436 7.785 1.00 73.22 O ATOM 0 H SER A 75 27.954 -7.736 10.348 1.00 22.41 H new ATOM 0 HA SER A 75 27.463 -7.614 7.541 1.00 23.14 H new ATOM 0 HB2 SER A 75 29.421 -8.752 8.009 1.00 30.32 H new ATOM 0 HB3 SER A 75 28.804 -9.437 9.500 1.00 30.32 H new ATOM 0 HG SER A 75 29.036 -11.031 7.832 1.00 73.22 H new ATOM 1085 N ALA A 76 25.211 -8.622 7.340 1.00 51.13 N ATOM 1086 CA ALA A 76 23.937 -9.288 7.100 1.00 33.15 C ATOM 1087 C ALA A 76 24.114 -10.504 6.197 1.00 11.31 C ATOM 1088 O ALA A 76 24.757 -10.423 5.151 1.00 22.01 O ATOM 1089 CB ALA A 76 22.939 -8.315 6.490 1.00 70.23 C ATOM 0 H ALA A 76 25.382 -7.812 6.744 1.00 51.13 H new ATOM 0 HA ALA A 76 23.550 -9.634 8.059 1.00 33.15 H new ATOM 0 HB1 ALA A 76 21.992 -8.826 6.316 1.00 70.23 H new ATOM 0 HB2 ALA A 76 22.781 -7.480 7.173 1.00 70.23 H new ATOM 0 HB3 ALA A 76 23.328 -7.940 5.543 1.00 70.23 H new ATOM 1095 N ALA A 77 23.540 -11.630 6.608 1.00 12.44 N ATOM 1096 CA ALA A 77 23.634 -12.862 5.835 1.00 14.43 C ATOM 1097 C ALA A 77 22.346 -13.124 5.062 1.00 34.14 C ATOM 1098 O ALA A 77 21.240 -12.908 5.559 1.00 20.33 O ATOM 1099 CB ALA A 77 23.951 -14.036 6.750 1.00 43.44 C ATOM 0 H ALA A 77 23.005 -11.714 7.472 1.00 12.44 H new ATOM 0 HA ALA A 77 24.443 -12.749 5.114 1.00 14.43 H new ATOM 0 HB1 ALA A 77 24.018 -14.950 6.159 1.00 43.44 H new ATOM 0 HB2 ALA A 77 24.901 -13.859 7.254 1.00 43.44 H new ATOM 0 HB3 ALA A 77 23.161 -14.142 7.493 1.00 43.44 H new ATOM 1105 N PRO A 78 22.489 -13.600 3.817 1.00 74.34 N ATOM 1106 CA PRO A 78 21.347 -13.902 2.949 1.00 74.25 C ATOM 1107 C PRO A 78 20.560 -15.117 3.428 1.00 75.23 C ATOM 1108 O PRO A 78 20.992 -15.833 4.330 1.00 63.24 O ATOM 1109 CB PRO A 78 21.997 -14.187 1.593 1.00 64.43 C ATOM 1110 CG PRO A 78 23.379 -14.638 1.923 1.00 54.34 C ATOM 1111 CD PRO A 78 23.776 -13.881 3.160 1.00 63.32 C ATOM 0 HA PRO A 78 20.625 -13.086 2.928 1.00 74.25 H new ATOM 0 HB2 PRO A 78 21.450 -14.955 1.045 1.00 64.43 H new ATOM 0 HB3 PRO A 78 22.011 -13.296 0.965 1.00 64.43 H new ATOM 0 HG2 PRO A 78 23.407 -15.714 2.097 1.00 54.34 H new ATOM 0 HG3 PRO A 78 24.064 -14.430 1.101 1.00 54.34 H new ATOM 0 HD2 PRO A 78 24.433 -14.472 3.799 1.00 63.32 H new ATOM 0 HD3 PRO A 78 24.311 -12.963 2.915 1.00 63.32 H new ATOM 1119 N GLY A 79 19.400 -15.344 2.817 1.00 23.21 N ATOM 1120 CA GLY A 79 18.572 -16.474 3.195 1.00 15.12 C ATOM 1121 C GLY A 79 17.488 -16.093 4.185 1.00 45.01 C ATOM 1122 O GLY A 79 16.359 -16.577 4.099 1.00 24.22 O ATOM 0 H GLY A 79 19.020 -14.766 2.068 1.00 23.21 H new ATOM 0 HA2 GLY A 79 18.112 -16.898 2.302 1.00 15.12 H new ATOM 0 HA3 GLY A 79 19.200 -17.251 3.630 1.00 15.12 H new ATOM 1126 N THR A 80 17.832 -15.223 5.130 1.00 32.20 N ATOM 1127 CA THR A 80 16.882 -14.780 6.142 1.00 13.32 C ATOM 1128 C THR A 80 16.251 -13.446 5.758 1.00 71.34 C ATOM 1129 O THR A 80 16.951 -12.487 5.431 1.00 70.20 O ATOM 1130 CB THR A 80 17.555 -14.638 7.521 1.00 55.25 C ATOM 1131 OG1 THR A 80 18.232 -15.852 7.862 1.00 4.01 O ATOM 1132 CG2 THR A 80 16.527 -14.306 8.592 1.00 5.35 C ATOM 0 H THR A 80 18.761 -14.812 5.215 1.00 32.20 H new ATOM 0 HA THR A 80 16.106 -15.543 6.201 1.00 13.32 H new ATOM 0 HB THR A 80 18.277 -13.823 7.467 1.00 55.25 H new ATOM 0 HG1 THR A 80 18.659 -15.753 8.739 1.00 4.01 H new ATOM 0 HG21 THR A 80 17.025 -14.210 9.557 1.00 5.35 H new ATOM 0 HG22 THR A 80 16.033 -13.366 8.344 1.00 5.35 H new ATOM 0 HG23 THR A 80 15.785 -15.103 8.644 1.00 5.35 H new ATOM 1140 N THR A 81 14.923 -13.391 5.799 1.00 62.03 N ATOM 1141 CA THR A 81 14.198 -12.175 5.454 1.00 11.10 C ATOM 1142 C THR A 81 14.373 -11.107 6.528 1.00 72.31 C ATOM 1143 O THR A 81 14.241 -11.385 7.720 1.00 1.22 O ATOM 1144 CB THR A 81 12.695 -12.452 5.262 1.00 31.52 C ATOM 1145 OG1 THR A 81 12.510 -13.692 4.570 1.00 21.43 O ATOM 1146 CG2 THR A 81 12.032 -11.327 4.482 1.00 30.04 C ATOM 0 H THR A 81 14.328 -14.175 6.068 1.00 62.03 H new ATOM 0 HA THR A 81 14.616 -11.814 4.514 1.00 11.10 H new ATOM 0 HB THR A 81 12.231 -12.512 6.246 1.00 31.52 H new ATOM 0 HG1 THR A 81 11.552 -13.862 4.453 1.00 21.43 H new ATOM 0 HG21 THR A 81 10.971 -11.545 4.359 1.00 30.04 H new ATOM 0 HG22 THR A 81 12.149 -10.389 5.025 1.00 30.04 H new ATOM 0 HG23 THR A 81 12.500 -11.239 3.502 1.00 30.04 H new ATOM 1154 N TYR A 82 14.670 -9.886 6.098 1.00 15.13 N ATOM 1155 CA TYR A 82 14.864 -8.776 7.024 1.00 22.30 C ATOM 1156 C TYR A 82 13.652 -7.850 7.026 1.00 4.51 C ATOM 1157 O TYR A 82 13.113 -7.510 5.972 1.00 24.40 O ATOM 1158 CB TYR A 82 16.122 -7.989 6.652 1.00 32.01 C ATOM 1159 CG TYR A 82 17.408 -8.731 6.938 1.00 34.22 C ATOM 1160 CD1 TYR A 82 17.774 -9.050 8.240 1.00 41.01 C ATOM 1161 CD2 TYR A 82 18.256 -9.115 5.906 1.00 13.44 C ATOM 1162 CE1 TYR A 82 18.948 -9.727 8.506 1.00 64.22 C ATOM 1163 CE2 TYR A 82 19.431 -9.793 6.163 1.00 62.51 C ATOM 1164 CZ TYR A 82 19.773 -10.097 7.464 1.00 4.01 C ATOM 1165 OH TYR A 82 20.943 -10.773 7.725 1.00 63.03 O ATOM 0 H TYR A 82 14.782 -9.639 5.115 1.00 15.13 H new ATOM 0 HA TYR A 82 14.984 -9.188 8.026 1.00 22.30 H new ATOM 0 HB2 TYR A 82 16.084 -7.740 5.591 1.00 32.01 H new ATOM 0 HB3 TYR A 82 16.126 -7.047 7.200 1.00 32.01 H new ATOM 0 HD1 TYR A 82 17.129 -8.764 9.058 1.00 41.01 H new ATOM 0 HD2 TYR A 82 17.991 -8.879 4.886 1.00 13.44 H new ATOM 0 HE1 TYR A 82 19.219 -9.965 9.524 1.00 64.22 H new ATOM 0 HE2 TYR A 82 20.079 -10.084 5.349 1.00 62.51 H new ATOM 0 HH TYR A 82 21.051 -11.501 7.078 1.00 63.03 H new ATOM 1175 N HIS A 83 13.229 -7.442 8.219 1.00 60.44 N ATOM 1176 CA HIS A 83 12.081 -6.553 8.360 1.00 64.32 C ATOM 1177 C HIS A 83 12.528 -5.147 8.750 1.00 60.52 C ATOM 1178 O HIS A 83 13.628 -4.956 9.268 1.00 1.11 O ATOM 1179 CB HIS A 83 11.111 -7.101 9.406 1.00 33.24 C ATOM 1180 CG HIS A 83 10.258 -8.225 8.902 1.00 2.24 C ATOM 1181 ND1 HIS A 83 8.886 -8.140 8.798 1.00 51.22 N ATOM 1182 CD2 HIS A 83 10.591 -9.464 8.471 1.00 12.11 C ATOM 1183 CE1 HIS A 83 8.411 -9.279 8.326 1.00 41.44 C ATOM 1184 NE2 HIS A 83 9.425 -10.099 8.119 1.00 44.14 N ATOM 0 H HIS A 83 13.664 -7.713 9.101 1.00 60.44 H new ATOM 0 HA HIS A 83 11.573 -6.500 7.397 1.00 64.32 H new ATOM 0 HB2 HIS A 83 11.679 -7.446 10.270 1.00 33.24 H new ATOM 0 HB3 HIS A 83 10.466 -6.293 9.750 1.00 33.24 H new ATOM 0 HD2 HIS A 83 11.588 -9.876 8.414 1.00 12.11 H new ATOM 0 HE1 HIS A 83 7.370 -9.501 8.141 1.00 41.44 H new ATOM 0 HE2 HIS A 83 9.354 -11.050 7.757 1.00 44.14 H new ATOM 1192 N VAL A 84 11.667 -4.167 8.496 1.00 4.42 N ATOM 1193 CA VAL A 84 11.973 -2.778 8.821 1.00 61.41 C ATOM 1194 C VAL A 84 10.755 -2.069 9.402 1.00 41.13 C ATOM 1195 O VAL A 84 9.632 -2.259 8.935 1.00 24.33 O ATOM 1196 CB VAL A 84 12.460 -2.006 7.581 1.00 63.14 C ATOM 1197 CG1 VAL A 84 13.121 -0.699 7.991 1.00 41.12 C ATOM 1198 CG2 VAL A 84 13.415 -2.862 6.762 1.00 42.32 C ATOM 0 H VAL A 84 10.753 -4.308 8.067 1.00 4.42 H new ATOM 0 HA VAL A 84 12.769 -2.795 9.565 1.00 61.41 H new ATOM 0 HB VAL A 84 11.596 -1.769 6.960 1.00 63.14 H new ATOM 0 HG11 VAL A 84 13.459 -0.167 7.101 1.00 41.12 H new ATOM 0 HG12 VAL A 84 12.403 -0.082 8.532 1.00 41.12 H new ATOM 0 HG13 VAL A 84 13.975 -0.909 8.634 1.00 41.12 H new ATOM 0 HG21 VAL A 84 13.749 -2.301 5.889 1.00 42.32 H new ATOM 0 HG22 VAL A 84 14.277 -3.131 7.372 1.00 42.32 H new ATOM 0 HG23 VAL A 84 12.904 -3.768 6.437 1.00 42.32 H new ATOM 1208 N MET A 85 10.985 -1.250 10.422 1.00 4.45 N ATOM 1209 CA MET A 85 9.906 -0.510 11.066 1.00 3.44 C ATOM 1210 C MET A 85 10.295 0.951 11.271 1.00 43.24 C ATOM 1211 O MET A 85 11.312 1.250 11.897 1.00 44.41 O ATOM 1212 CB MET A 85 9.553 -1.148 12.411 1.00 72.10 C ATOM 1213 CG MET A 85 8.060 -1.171 12.699 1.00 24.21 C ATOM 1214 SD MET A 85 7.693 -1.150 14.464 1.00 4.13 S ATOM 1215 CE MET A 85 6.470 0.156 14.540 1.00 3.40 C ATOM 0 H MET A 85 11.909 -1.082 10.821 1.00 4.45 H new ATOM 0 HA MET A 85 9.034 -0.548 10.413 1.00 3.44 H new ATOM 0 HB2 MET A 85 9.934 -2.169 12.431 1.00 72.10 H new ATOM 0 HB3 MET A 85 10.060 -0.603 13.207 1.00 72.10 H new ATOM 0 HG2 MET A 85 7.589 -0.311 12.224 1.00 24.21 H new ATOM 0 HG3 MET A 85 7.621 -2.063 12.251 1.00 24.21 H new ATOM 0 HE1 MET A 85 6.327 0.460 15.577 1.00 3.40 H new ATOM 0 HE2 MET A 85 6.813 1.010 13.955 1.00 3.40 H new ATOM 0 HE3 MET A 85 5.525 -0.206 14.134 1.00 3.40 H new ATOM 1225 N ILE A 86 9.480 1.856 10.738 1.00 24.34 N ATOM 1226 CA ILE A 86 9.740 3.285 10.864 1.00 72.44 C ATOM 1227 C ILE A 86 8.609 3.985 11.609 1.00 40.41 C ATOM 1228 O ILE A 86 7.483 4.065 11.118 1.00 35.03 O ATOM 1229 CB ILE A 86 9.919 3.947 9.485 1.00 40.11 C ATOM 1230 CG1 ILE A 86 10.951 3.179 8.656 1.00 55.11 C ATOM 1231 CG2 ILE A 86 10.337 5.401 9.646 1.00 25.13 C ATOM 1232 CD1 ILE A 86 12.370 3.348 9.150 1.00 1.23 C ATOM 0 H ILE A 86 8.635 1.625 10.215 1.00 24.34 H new ATOM 0 HA ILE A 86 10.665 3.390 11.431 1.00 72.44 H new ATOM 0 HB ILE A 86 8.965 3.920 8.959 1.00 40.11 H new ATOM 0 HG12 ILE A 86 10.696 2.119 8.664 1.00 55.11 H new ATOM 0 HG13 ILE A 86 10.894 3.512 7.620 1.00 55.11 H new ATOM 0 HG21 ILE A 86 10.460 5.855 8.663 1.00 25.13 H new ATOM 0 HG22 ILE A 86 9.570 5.941 10.202 1.00 25.13 H new ATOM 0 HG23 ILE A 86 11.281 5.450 10.189 1.00 25.13 H new ATOM 0 HD11 ILE A 86 13.047 2.776 8.515 1.00 1.23 H new ATOM 0 HD12 ILE A 86 12.644 4.402 9.115 1.00 1.23 H new ATOM 0 HD13 ILE A 86 12.443 2.988 10.176 1.00 1.23 H new ATOM 1244 N LYS A 87 8.917 4.494 12.797 1.00 41.41 N ATOM 1245 CA LYS A 87 7.929 5.192 13.610 1.00 14.34 C ATOM 1246 C LYS A 87 8.057 6.703 13.445 1.00 11.33 C ATOM 1247 O LYS A 87 9.058 7.198 12.929 1.00 1.35 O ATOM 1248 CB LYS A 87 8.092 4.814 15.084 1.00 10.03 C ATOM 1249 CG LYS A 87 7.481 3.469 15.438 1.00 3.13 C ATOM 1250 CD LYS A 87 5.981 3.457 15.198 1.00 41.14 C ATOM 1251 CE LYS A 87 5.272 4.500 16.047 1.00 11.52 C ATOM 1252 NZ LYS A 87 5.530 4.301 17.500 1.00 11.22 N ATOM 0 H LYS A 87 9.844 4.436 13.218 1.00 41.41 H new ATOM 0 HA LYS A 87 6.938 4.890 13.271 1.00 14.34 H new ATOM 0 HB2 LYS A 87 9.154 4.798 15.331 1.00 10.03 H new ATOM 0 HB3 LYS A 87 7.633 5.586 15.701 1.00 10.03 H new ATOM 0 HG2 LYS A 87 7.952 2.687 14.843 1.00 3.13 H new ATOM 0 HG3 LYS A 87 7.685 3.240 16.484 1.00 3.13 H new ATOM 0 HD2 LYS A 87 5.779 3.646 14.144 1.00 41.14 H new ATOM 0 HD3 LYS A 87 5.583 2.468 15.427 1.00 41.14 H new ATOM 0 HE2 LYS A 87 5.604 5.495 15.752 1.00 11.52 H new ATOM 0 HE3 LYS A 87 4.199 4.453 15.859 1.00 11.52 H new ATOM 0 HZ1 LYS A 87 4.867 4.881 18.053 1.00 11.22 H new ATOM 0 HZ2 LYS A 87 5.398 3.298 17.742 1.00 11.22 H new ATOM 0 HZ3 LYS A 87 6.506 4.585 17.721 1.00 11.22 H new ATOM 1266 N GLY A 88 7.036 7.431 13.888 1.00 3.53 N ATOM 1267 CA GLY A 88 7.056 8.879 13.781 1.00 21.45 C ATOM 1268 C GLY A 88 6.744 9.561 15.098 1.00 1.53 C ATOM 1269 O GLY A 88 5.813 9.171 15.803 1.00 54.34 O ATOM 0 H GLY A 88 6.196 7.044 14.319 1.00 3.53 H new ATOM 0 HA2 GLY A 88 8.037 9.201 13.432 1.00 21.45 H new ATOM 0 HA3 GLY A 88 6.331 9.195 13.031 1.00 21.45 H new ATOM 1273 N TYR A 89 7.525 10.582 15.433 1.00 44.30 N ATOM 1274 CA TYR A 89 7.330 11.318 16.676 1.00 4.44 C ATOM 1275 C TYR A 89 6.506 12.580 16.439 1.00 33.22 C ATOM 1276 O TYR A 89 5.756 13.018 17.312 1.00 44.42 O ATOM 1277 CB TYR A 89 8.681 11.687 17.292 1.00 0.15 C ATOM 1278 CG TYR A 89 9.193 10.667 18.284 1.00 60.20 C ATOM 1279 CD1 TYR A 89 9.148 9.308 17.998 1.00 74.21 C ATOM 1280 CD2 TYR A 89 9.721 11.061 19.507 1.00 41.41 C ATOM 1281 CE1 TYR A 89 9.614 8.372 18.901 1.00 75.21 C ATOM 1282 CE2 TYR A 89 10.191 10.133 20.415 1.00 33.43 C ATOM 1283 CZ TYR A 89 10.135 8.789 20.108 1.00 54.11 C ATOM 1284 OH TYR A 89 10.600 7.861 21.011 1.00 60.33 O ATOM 0 H TYR A 89 8.299 10.919 14.861 1.00 44.30 H new ATOM 0 HA TYR A 89 6.786 10.675 17.367 1.00 4.44 H new ATOM 0 HB2 TYR A 89 9.414 11.806 16.494 1.00 0.15 H new ATOM 0 HB3 TYR A 89 8.592 12.653 17.790 1.00 0.15 H new ATOM 0 HD1 TYR A 89 8.742 8.978 17.053 1.00 74.21 H new ATOM 0 HD2 TYR A 89 9.765 12.112 19.752 1.00 41.41 H new ATOM 0 HE1 TYR A 89 9.571 7.319 18.663 1.00 75.21 H new ATOM 0 HE2 TYR A 89 10.600 10.457 21.360 1.00 33.43 H new ATOM 0 HH TYR A 89 10.935 8.320 21.809 1.00 60.33 H new ATOM 1294 N SER A 90 6.649 13.158 15.251 1.00 4.10 N ATOM 1295 CA SER A 90 5.921 14.371 14.898 1.00 11.02 C ATOM 1296 C SER A 90 6.025 14.651 13.402 1.00 1.51 C ATOM 1297 O SER A 90 7.096 14.526 12.809 1.00 34.32 O ATOM 1298 CB SER A 90 6.459 15.564 15.691 1.00 65.42 C ATOM 1299 OG SER A 90 7.758 15.924 15.251 1.00 33.55 O ATOM 0 H SER A 90 7.263 12.806 14.516 1.00 4.10 H new ATOM 0 HA SER A 90 4.871 14.221 15.150 1.00 11.02 H new ATOM 0 HB2 SER A 90 5.785 16.413 15.579 1.00 65.42 H new ATOM 0 HB3 SER A 90 6.486 15.317 16.752 1.00 65.42 H new ATOM 0 HG SER A 90 8.079 16.690 15.772 1.00 33.55 H new ATOM 1305 N ASN A 91 4.904 15.032 12.798 1.00 10.34 N ATOM 1306 CA ASN A 91 4.868 15.330 11.371 1.00 13.42 C ATOM 1307 C ASN A 91 6.177 15.968 10.915 1.00 34.12 C ATOM 1308 O ASN A 91 6.440 17.138 11.194 1.00 55.01 O ATOM 1309 CB ASN A 91 3.696 16.261 11.053 1.00 11.41 C ATOM 1310 CG ASN A 91 3.179 16.077 9.639 1.00 14.55 C ATOM 1311 OD1 ASN A 91 3.809 15.413 8.817 1.00 24.13 O ATOM 1312 ND2 ASN A 91 2.025 16.668 9.350 1.00 34.45 N ATOM 0 H ASN A 91 4.009 15.142 13.274 1.00 10.34 H new ATOM 0 HA ASN A 91 4.735 14.392 10.832 1.00 13.42 H new ATOM 0 HB2 ASN A 91 2.887 16.077 11.760 1.00 11.41 H new ATOM 0 HB3 ASN A 91 4.010 17.296 11.191 1.00 11.41 H new ATOM 0 HD21 ASN A 91 1.627 16.580 8.415 1.00 34.45 H new ATOM 0 HD22 ASN A 91 1.537 17.209 10.063 1.00 34.45 H new ATOM 1319 N TYR A 92 6.993 15.191 10.213 1.00 62.25 N ATOM 1320 CA TYR A 92 8.276 15.678 9.719 1.00 13.41 C ATOM 1321 C TYR A 92 8.834 14.751 8.644 1.00 21.22 C ATOM 1322 O TYR A 92 9.087 13.573 8.895 1.00 31.43 O ATOM 1323 CB TYR A 92 9.275 15.803 10.870 1.00 20.24 C ATOM 1324 CG TYR A 92 10.586 16.439 10.468 1.00 64.41 C ATOM 1325 CD1 TYR A 92 11.571 15.699 9.824 1.00 74.04 C ATOM 1326 CD2 TYR A 92 10.842 17.778 10.733 1.00 51.33 C ATOM 1327 CE1 TYR A 92 12.771 16.275 9.455 1.00 53.45 C ATOM 1328 CE2 TYR A 92 12.038 18.363 10.366 1.00 44.40 C ATOM 1329 CZ TYR A 92 13.000 17.608 9.727 1.00 34.14 C ATOM 1330 OH TYR A 92 14.193 18.187 9.362 1.00 63.42 O ATOM 0 H TYR A 92 6.789 14.221 9.973 1.00 62.25 H new ATOM 0 HA TYR A 92 8.116 16.661 9.277 1.00 13.41 H new ATOM 0 HB2 TYR A 92 8.825 16.393 11.668 1.00 20.24 H new ATOM 0 HB3 TYR A 92 9.472 14.812 11.278 1.00 20.24 H new ATOM 0 HD1 TYR A 92 11.395 14.655 9.608 1.00 74.04 H new ATOM 0 HD2 TYR A 92 10.093 18.372 11.235 1.00 51.33 H new ATOM 0 HE1 TYR A 92 13.526 15.685 8.956 1.00 53.45 H new ATOM 0 HE2 TYR A 92 12.219 19.406 10.578 1.00 44.40 H new ATOM 0 HH TYR A 92 14.193 19.131 9.625 1.00 63.42 H new ATOM 1340 N SER A 93 9.024 15.292 7.445 1.00 5.23 N ATOM 1341 CA SER A 93 9.550 14.514 6.330 1.00 70.13 C ATOM 1342 C SER A 93 10.837 15.134 5.793 1.00 32.34 C ATOM 1343 O SER A 93 11.077 16.330 5.954 1.00 70.53 O ATOM 1344 CB SER A 93 8.511 14.421 5.211 1.00 34.50 C ATOM 1345 OG SER A 93 7.999 15.701 4.882 1.00 64.53 O ATOM 0 H SER A 93 8.821 16.266 7.221 1.00 5.23 H new ATOM 0 HA SER A 93 9.774 13.511 6.693 1.00 70.13 H new ATOM 0 HB2 SER A 93 8.963 13.969 4.328 1.00 34.50 H new ATOM 0 HB3 SER A 93 7.695 13.768 5.522 1.00 34.50 H new ATOM 0 HG SER A 93 7.338 15.614 4.163 1.00 64.53 H new ATOM 1351 N GLY A 94 11.662 14.309 5.155 1.00 41.41 N ATOM 1352 CA GLY A 94 12.915 14.793 4.604 1.00 14.34 C ATOM 1353 C GLY A 94 14.106 13.984 5.076 1.00 63.10 C ATOM 1354 O GLY A 94 15.237 14.472 5.075 1.00 33.44 O ATOM 0 H GLY A 94 11.485 13.315 5.010 1.00 41.41 H new ATOM 0 HA2 GLY A 94 12.866 14.761 3.516 1.00 14.34 H new ATOM 0 HA3 GLY A 94 13.054 15.837 4.886 1.00 14.34 H new ATOM 1358 N VAL A 95 13.854 12.743 5.482 1.00 41.52 N ATOM 1359 CA VAL A 95 14.915 11.865 5.959 1.00 21.41 C ATOM 1360 C VAL A 95 15.110 10.679 5.021 1.00 32.31 C ATOM 1361 O VAL A 95 14.148 10.145 4.468 1.00 54.23 O ATOM 1362 CB VAL A 95 14.615 11.341 7.376 1.00 70.40 C ATOM 1363 CG1 VAL A 95 15.888 10.839 8.041 1.00 51.32 C ATOM 1364 CG2 VAL A 95 13.956 12.424 8.216 1.00 42.41 C ATOM 0 H VAL A 95 12.924 12.324 5.490 1.00 41.52 H new ATOM 0 HA VAL A 95 15.829 12.458 5.985 1.00 21.41 H new ATOM 0 HB VAL A 95 13.922 10.504 7.295 1.00 70.40 H new ATOM 0 HG11 VAL A 95 15.656 10.473 9.041 1.00 51.32 H new ATOM 0 HG12 VAL A 95 16.313 10.030 7.448 1.00 51.32 H new ATOM 0 HG13 VAL A 95 16.608 11.655 8.111 1.00 51.32 H new ATOM 0 HG21 VAL A 95 13.751 12.036 9.214 1.00 42.41 H new ATOM 0 HG22 VAL A 95 14.623 13.283 8.290 1.00 42.41 H new ATOM 0 HG23 VAL A 95 13.021 12.730 7.747 1.00 42.41 H new ATOM 1374 N THR A 96 16.362 10.269 4.846 1.00 24.12 N ATOM 1375 CA THR A 96 16.685 9.146 3.975 1.00 54.03 C ATOM 1376 C THR A 96 16.912 7.872 4.781 1.00 44.35 C ATOM 1377 O THR A 96 17.641 7.876 5.774 1.00 74.30 O ATOM 1378 CB THR A 96 17.938 9.435 3.127 1.00 72.52 C ATOM 1379 OG1 THR A 96 18.018 10.833 2.832 1.00 42.44 O ATOM 1380 CG2 THR A 96 17.909 8.638 1.831 1.00 43.42 C ATOM 0 H THR A 96 17.170 10.699 5.297 1.00 24.12 H new ATOM 0 HA THR A 96 15.832 9.005 3.312 1.00 54.03 H new ATOM 0 HB THR A 96 18.815 9.135 3.700 1.00 72.52 H new ATOM 0 HG1 THR A 96 18.818 11.009 2.294 1.00 42.44 H new ATOM 0 HG21 THR A 96 18.804 8.858 1.248 1.00 43.42 H new ATOM 0 HG22 THR A 96 17.878 7.573 2.060 1.00 43.42 H new ATOM 0 HG23 THR A 96 17.025 8.912 1.255 1.00 43.42 H new ATOM 1388 N LEU A 97 16.286 6.784 4.347 1.00 64.21 N ATOM 1389 CA LEU A 97 16.422 5.501 5.028 1.00 34.13 C ATOM 1390 C LEU A 97 17.031 4.454 4.101 1.00 34.34 C ATOM 1391 O LEU A 97 16.842 4.500 2.886 1.00 71.44 O ATOM 1392 CB LEU A 97 15.059 5.022 5.532 1.00 53.34 C ATOM 1393 CG LEU A 97 14.969 3.548 5.926 1.00 30.32 C ATOM 1394 CD1 LEU A 97 15.647 3.312 7.267 1.00 33.30 C ATOM 1395 CD2 LEU A 97 13.517 3.096 5.974 1.00 73.23 C ATOM 0 H LEU A 97 15.680 6.764 3.527 1.00 64.21 H new ATOM 0 HA LEU A 97 17.090 5.638 5.879 1.00 34.13 H new ATOM 0 HB2 LEU A 97 14.781 5.626 6.396 1.00 53.34 H new ATOM 0 HB3 LEU A 97 14.319 5.216 4.756 1.00 53.34 H new ATOM 0 HG LEU A 97 15.487 2.958 5.171 1.00 30.32 H new ATOM 0 HD11 LEU A 97 15.573 2.257 7.531 1.00 33.30 H new ATOM 0 HD12 LEU A 97 16.697 3.596 7.199 1.00 33.30 H new ATOM 0 HD13 LEU A 97 15.157 3.913 8.033 1.00 33.30 H new ATOM 0 HD21 LEU A 97 13.473 2.044 6.256 1.00 73.23 H new ATOM 0 HD22 LEU A 97 12.975 3.692 6.708 1.00 73.23 H new ATOM 0 HD23 LEU A 97 13.062 3.228 4.992 1.00 73.23 H new ATOM 1407 N LYS A 98 17.761 3.509 4.684 1.00 74.51 N ATOM 1408 CA LYS A 98 18.395 2.447 3.912 1.00 21.41 C ATOM 1409 C LYS A 98 18.691 1.236 4.792 1.00 15.32 C ATOM 1410 O LYS A 98 18.673 1.330 6.020 1.00 30.13 O ATOM 1411 CB LYS A 98 19.690 2.955 3.275 1.00 41.24 C ATOM 1412 CG LYS A 98 20.257 2.020 2.220 1.00 1.43 C ATOM 1413 CD LYS A 98 20.845 2.791 1.050 1.00 73.21 C ATOM 1414 CE LYS A 98 21.755 3.914 1.523 1.00 62.24 C ATOM 1415 NZ LYS A 98 22.985 4.019 0.689 1.00 30.33 N ATOM 0 H LYS A 98 17.928 3.457 5.689 1.00 74.51 H new ATOM 0 HA LYS A 98 17.705 2.143 3.125 1.00 21.41 H new ATOM 0 HB2 LYS A 98 19.505 3.929 2.823 1.00 41.24 H new ATOM 0 HB3 LYS A 98 20.436 3.103 4.056 1.00 41.24 H new ATOM 0 HG2 LYS A 98 21.027 1.391 2.666 1.00 1.43 H new ATOM 0 HG3 LYS A 98 19.471 1.356 1.861 1.00 1.43 H new ATOM 0 HD2 LYS A 98 21.407 2.111 0.410 1.00 73.21 H new ATOM 0 HD3 LYS A 98 20.039 3.205 0.444 1.00 73.21 H new ATOM 0 HE2 LYS A 98 21.213 4.859 1.491 1.00 62.24 H new ATOM 0 HE3 LYS A 98 22.034 3.742 2.562 1.00 62.24 H new ATOM 0 HZ1 LYS A 98 23.579 4.796 1.043 1.00 30.33 H new ATOM 0 HZ2 LYS A 98 23.516 3.126 0.739 1.00 30.33 H new ATOM 0 HZ3 LYS A 98 22.720 4.209 -0.299 1.00 30.33 H new ATOM 1429 N LEU A 99 18.963 0.102 4.158 1.00 70.44 N ATOM 1430 CA LEU A 99 19.264 -1.128 4.883 1.00 2.42 C ATOM 1431 C LEU A 99 20.764 -1.263 5.127 1.00 52.41 C ATOM 1432 O LEU A 99 21.573 -0.966 4.249 1.00 45.31 O ATOM 1433 CB LEU A 99 18.751 -2.341 4.106 1.00 50.12 C ATOM 1434 CG LEU A 99 19.644 -3.582 4.133 1.00 34.21 C ATOM 1435 CD1 LEU A 99 18.811 -4.843 3.959 1.00 54.54 C ATOM 1436 CD2 LEU A 99 20.713 -3.494 3.054 1.00 0.21 C ATOM 0 H LEU A 99 18.982 0.008 3.143 1.00 70.44 H new ATOM 0 HA LEU A 99 18.760 -1.084 5.848 1.00 2.42 H new ATOM 0 HB2 LEU A 99 17.772 -2.613 4.501 1.00 50.12 H new ATOM 0 HB3 LEU A 99 18.604 -2.046 3.067 1.00 50.12 H new ATOM 0 HG LEU A 99 20.139 -3.629 5.103 1.00 34.21 H new ATOM 0 HD11 LEU A 99 19.463 -5.716 3.981 1.00 54.54 H new ATOM 0 HD12 LEU A 99 18.084 -4.913 4.768 1.00 54.54 H new ATOM 0 HD13 LEU A 99 18.288 -4.805 3.003 1.00 54.54 H new ATOM 0 HD21 LEU A 99 21.339 -4.386 3.088 1.00 0.21 H new ATOM 0 HD22 LEU A 99 20.238 -3.422 2.076 1.00 0.21 H new ATOM 0 HD23 LEU A 99 21.329 -2.611 3.224 1.00 0.21 H new ATOM 1448 N GLN A 100 21.125 -1.714 6.323 1.00 25.15 N ATOM 1449 CA GLN A 100 22.528 -1.890 6.681 1.00 1.22 C ATOM 1450 C GLN A 100 22.956 -3.344 6.510 1.00 54.44 C ATOM 1451 O GLN A 100 22.507 -4.224 7.244 1.00 14.01 O ATOM 1452 CB GLN A 100 22.768 -1.442 8.124 1.00 22.00 C ATOM 1453 CG GLN A 100 21.734 -1.970 9.105 1.00 12.10 C ATOM 1454 CD GLN A 100 20.526 -1.061 9.225 1.00 23.32 C ATOM 1455 OE1 GLN A 100 19.366 -1.561 8.815 1.00 13.41 O flip ATOM 1456 NE2 GLN A 100 20.635 0.077 9.681 1.00 2.34 N flip ATOM 0 H GLN A 100 20.466 -1.964 7.061 1.00 25.15 H new ATOM 0 HA GLN A 100 23.127 -1.273 6.012 1.00 1.22 H new ATOM 0 HB2 GLN A 100 23.758 -1.773 8.439 1.00 22.00 H new ATOM 0 HB3 GLN A 100 22.770 -0.353 8.162 1.00 22.00 H new ATOM 0 HG2 GLN A 100 21.409 -2.960 8.786 1.00 12.10 H new ATOM 0 HG3 GLN A 100 22.195 -2.086 10.086 1.00 12.10 H new ATOM 0 HE21 GLN A 100 21.547 0.420 9.984 1.00 2.34 H new ATOM 0 HE22 GLN A 100 19.814 0.677 9.756 1.00 2.34 H new ATOM 1465 N TYR A 101 23.825 -3.588 5.536 1.00 61.23 N ATOM 1466 CA TYR A 101 24.311 -4.936 5.266 1.00 62.12 C ATOM 1467 C TYR A 101 25.807 -5.043 5.549 1.00 54.22 C ATOM 1468 O TYR A 101 26.250 -5.937 6.267 1.00 32.12 O ATOM 1469 CB TYR A 101 24.027 -5.322 3.813 1.00 31.12 C ATOM 1470 CG TYR A 101 24.768 -4.473 2.805 1.00 33.00 C ATOM 1471 CD1 TYR A 101 24.335 -3.189 2.497 1.00 70.45 C ATOM 1472 CD2 TYR A 101 25.901 -4.954 2.162 1.00 63.55 C ATOM 1473 CE1 TYR A 101 25.008 -2.411 1.575 1.00 3.45 C ATOM 1474 CE2 TYR A 101 26.582 -4.182 1.240 1.00 32.21 C ATOM 1475 CZ TYR A 101 26.131 -2.911 0.950 1.00 22.32 C ATOM 1476 OH TYR A 101 26.806 -2.138 0.033 1.00 34.11 O ATOM 0 H TYR A 101 24.207 -2.870 4.920 1.00 61.23 H new ATOM 0 HA TYR A 101 23.784 -5.624 5.927 1.00 62.12 H new ATOM 0 HB2 TYR A 101 24.298 -6.367 3.664 1.00 31.12 H new ATOM 0 HB3 TYR A 101 22.956 -5.240 3.627 1.00 31.12 H new ATOM 0 HD1 TYR A 101 23.458 -2.793 2.987 1.00 70.45 H new ATOM 0 HD2 TYR A 101 26.256 -5.949 2.386 1.00 63.55 H new ATOM 0 HE1 TYR A 101 24.656 -1.416 1.345 1.00 3.45 H new ATOM 0 HE2 TYR A 101 27.462 -4.571 0.750 1.00 32.21 H new ATOM 0 HH TYR A 101 27.574 -2.638 -0.314 1.00 34.11 H new