USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 791 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 43 THR OG1 : rot -98:sc= 1.54 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 6 THR OG1 : rot -21:sc= 0.415 USER MOD Single : A 9 SER OG : rot 180:sc= -0.739 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc=-0.00383 X(o=-0.0038,f=-0.43) USER MOD Single : A 27 THR OG1 : rot 80:sc= 0.555 USER MOD Single : A 28 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.9!) USER MOD Single : A 32 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.271) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.6!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 51 GLN : amide:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 53 GLN : amide:sc= -2.91 K(o=-2.9,f=-3.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -0.671 K(o=-0.67,f=-2.7) USER MOD Single : A 62 MET CE :methyl -116:sc= -3.56! (180deg=-7.07!) USER MOD Single : A 63 GLN : amide:sc=-0.000887 X(o=-0.00089,f=-0.15) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.771 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -59:sc= -2.03! USER MOD Single : A 75 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.029) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.043) USER MOD Single : A 82 ASN : amide:sc= -0.49 K(o=-0.49,f=-2.9!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.48) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.416 -1.517 4.505 1.00 71.51 N ATOM 2 CA GLY A 1 16.231 -0.702 4.313 1.00 34.44 C ATOM 3 C GLY A 1 16.439 0.391 3.284 1.00 32.31 C ATOM 4 O GLY A 1 17.278 1.273 3.466 1.00 34.53 O ATOM 0 H1 GLY A 1 17.222 -2.249 5.218 1.00 71.51 H new ATOM 0 H2 GLY A 1 17.675 -1.970 3.605 1.00 71.51 H new ATOM 0 H3 GLY A 1 18.201 -0.917 4.830 1.00 71.51 H new ATOM 0 HA2 GLY A 1 15.403 -1.338 4.000 1.00 34.44 H new ATOM 0 HA3 GLY A 1 15.946 -0.252 5.264 1.00 34.44 H new ATOM 8 N ALA A 2 15.674 0.332 2.198 1.00 5.44 N ATOM 9 CA ALA A 2 15.779 1.325 1.136 1.00 1.23 C ATOM 10 C ALA A 2 14.713 1.102 0.069 1.00 14.14 C ATOM 11 O ALA A 2 14.570 -0.001 -0.456 1.00 73.14 O ATOM 12 CB ALA A 2 17.167 1.288 0.514 1.00 50.01 C ATOM 0 H ALA A 2 14.976 -0.392 2.031 1.00 5.44 H new ATOM 0 HA ALA A 2 15.616 2.309 1.575 1.00 1.23 H new ATOM 0 HB1 ALA A 2 17.231 2.035 -0.278 1.00 50.01 H new ATOM 0 HB2 ALA A 2 17.914 1.504 1.278 1.00 50.01 H new ATOM 0 HB3 ALA A 2 17.352 0.299 0.095 1.00 50.01 H new ATOM 18 N GLU A 3 13.966 2.157 -0.244 1.00 63.55 N ATOM 19 CA GLU A 3 12.912 2.074 -1.248 1.00 73.41 C ATOM 20 C GLU A 3 13.495 2.138 -2.657 1.00 30.12 C ATOM 21 O GLU A 3 14.709 2.221 -2.834 1.00 65.44 O ATOM 22 CB GLU A 3 11.900 3.204 -1.051 1.00 53.22 C ATOM 23 CG GLU A 3 12.453 4.580 -1.381 1.00 54.43 C ATOM 24 CD GLU A 3 11.487 5.696 -1.031 1.00 44.33 C ATOM 25 OE1 GLU A 3 10.290 5.573 -1.365 1.00 25.44 O ATOM 26 OE2 GLU A 3 11.930 6.694 -0.423 1.00 71.53 O ATOM 0 H GLU A 3 14.071 3.077 0.183 1.00 63.55 H new ATOM 0 HA GLU A 3 12.405 1.117 -1.127 1.00 73.41 H new ATOM 0 HB2 GLU A 3 11.028 3.013 -1.676 1.00 53.22 H new ATOM 0 HB3 GLU A 3 11.558 3.198 -0.016 1.00 53.22 H new ATOM 0 HG2 GLU A 3 13.388 4.731 -0.841 1.00 54.43 H new ATOM 0 HG3 GLU A 3 12.688 4.628 -2.444 1.00 54.43 H new ATOM 33 N GLY A 4 12.619 2.099 -3.656 1.00 72.52 N ATOM 34 CA GLY A 4 13.065 2.152 -5.036 1.00 52.52 C ATOM 35 C GLY A 4 12.329 1.167 -5.922 1.00 60.12 C ATOM 36 O GLY A 4 12.801 0.054 -6.149 1.00 20.31 O ATOM 0 H GLY A 4 11.609 2.032 -3.534 1.00 72.52 H new ATOM 0 HA2 GLY A 4 12.921 3.161 -5.422 1.00 52.52 H new ATOM 0 HA3 GLY A 4 14.134 1.944 -5.077 1.00 52.52 H new ATOM 40 N ASN A 5 11.168 1.576 -6.423 1.00 40.32 N ATOM 41 CA ASN A 5 10.364 0.720 -7.288 1.00 22.13 C ATOM 42 C ASN A 5 10.780 0.876 -8.747 1.00 65.02 C ATOM 43 O ASN A 5 10.368 1.817 -9.426 1.00 14.35 O ATOM 44 CB ASN A 5 8.879 1.052 -7.131 1.00 51.21 C ATOM 45 CG ASN A 5 8.381 0.821 -5.718 1.00 33.14 C ATOM 46 OD1 ASN A 5 8.696 -0.193 -5.094 1.00 40.14 O ATOM 47 ND2 ASN A 5 7.598 1.763 -5.205 1.00 13.01 N ATOM 0 H ASN A 5 10.763 2.495 -6.245 1.00 40.32 H new ATOM 0 HA ASN A 5 10.532 -0.315 -6.990 1.00 22.13 H new ATOM 0 HB2 ASN A 5 8.711 2.093 -7.407 1.00 51.21 H new ATOM 0 HB3 ASN A 5 8.298 0.442 -7.822 1.00 51.21 H new ATOM 0 HD21 ASN A 5 7.232 1.662 -4.258 1.00 13.01 H new ATOM 0 HD22 ASN A 5 7.362 2.587 -5.758 1.00 13.01 H new ATOM 54 N THR A 6 11.601 -0.054 -9.226 1.00 22.14 N ATOM 55 CA THR A 6 12.074 -0.020 -10.604 1.00 22.43 C ATOM 56 C THR A 6 12.508 -1.405 -11.070 1.00 63.20 C ATOM 57 O THR A 6 13.475 -1.970 -10.556 1.00 41.14 O ATOM 58 CB THR A 6 13.253 0.957 -10.769 1.00 52.53 C ATOM 59 OG1 THR A 6 12.910 2.235 -10.221 1.00 40.22 O ATOM 60 CG2 THR A 6 13.625 1.113 -12.236 1.00 63.41 C ATOM 0 H THR A 6 11.952 -0.840 -8.679 1.00 22.14 H new ATOM 0 HA THR A 6 11.240 0.322 -11.216 1.00 22.43 H new ATOM 0 HB THR A 6 14.111 0.550 -10.234 1.00 52.53 H new ATOM 0 HG1 THR A 6 11.935 2.319 -10.172 1.00 40.22 H new ATOM 0 HG21 THR A 6 14.460 1.808 -12.328 1.00 63.41 H new ATOM 0 HG22 THR A 6 13.913 0.144 -12.643 1.00 63.41 H new ATOM 0 HG23 THR A 6 12.769 1.499 -12.789 1.00 63.41 H new ATOM 68 N LEU A 7 11.789 -1.948 -12.046 1.00 42.13 N ATOM 69 CA LEU A 7 12.101 -3.268 -12.583 1.00 51.03 C ATOM 70 C LEU A 7 13.454 -3.264 -13.287 1.00 41.12 C ATOM 71 O LEU A 7 13.747 -2.372 -14.085 1.00 21.45 O ATOM 72 CB LEU A 7 11.009 -3.716 -13.556 1.00 55.50 C ATOM 73 CG LEU A 7 9.793 -4.401 -12.931 1.00 61.31 C ATOM 74 CD1 LEU A 7 10.212 -5.667 -12.199 1.00 51.04 C ATOM 75 CD2 LEU A 7 9.072 -3.451 -11.987 1.00 34.04 C ATOM 0 H LEU A 7 10.986 -1.495 -12.482 1.00 42.13 H new ATOM 0 HA LEU A 7 12.147 -3.970 -11.750 1.00 51.03 H new ATOM 0 HB2 LEU A 7 10.664 -2.843 -14.111 1.00 55.50 H new ATOM 0 HB3 LEU A 7 11.453 -4.399 -14.280 1.00 55.50 H new ATOM 0 HG LEU A 7 9.105 -4.678 -13.730 1.00 61.31 H new ATOM 0 HD11 LEU A 7 9.334 -6.141 -11.761 1.00 51.04 H new ATOM 0 HD12 LEU A 7 10.683 -6.355 -12.902 1.00 51.04 H new ATOM 0 HD13 LEU A 7 10.920 -5.414 -11.410 1.00 51.04 H new ATOM 0 HD21 LEU A 7 8.209 -3.956 -11.552 1.00 34.04 H new ATOM 0 HD22 LEU A 7 9.751 -3.143 -11.192 1.00 34.04 H new ATOM 0 HD23 LEU A 7 8.738 -2.573 -12.540 1.00 34.04 H new ATOM 87 N ILE A 8 14.274 -4.266 -12.989 1.00 35.34 N ATOM 88 CA ILE A 8 15.594 -4.380 -13.595 1.00 51.44 C ATOM 89 C ILE A 8 15.943 -5.836 -13.885 1.00 11.53 C ATOM 90 O ILE A 8 15.378 -6.751 -13.286 1.00 54.24 O ATOM 91 CB ILE A 8 16.683 -3.772 -12.692 1.00 31.25 C ATOM 92 CG1 ILE A 8 16.540 -4.296 -11.261 1.00 15.30 C ATOM 93 CG2 ILE A 8 16.605 -2.253 -12.716 1.00 13.03 C ATOM 94 CD1 ILE A 8 17.816 -4.208 -10.455 1.00 24.33 C ATOM 0 H ILE A 8 14.047 -5.011 -12.331 1.00 35.34 H new ATOM 0 HA ILE A 8 15.559 -3.824 -14.532 1.00 51.44 H new ATOM 0 HB ILE A 8 17.659 -4.071 -13.073 1.00 31.25 H new ATOM 0 HG12 ILE A 8 15.759 -3.731 -10.752 1.00 15.30 H new ATOM 0 HG13 ILE A 8 16.212 -5.335 -11.294 1.00 15.30 H new ATOM 0 HG21 ILE A 8 17.381 -1.839 -12.073 1.00 13.03 H new ATOM 0 HG22 ILE A 8 16.751 -1.897 -13.736 1.00 13.03 H new ATOM 0 HG23 ILE A 8 15.627 -1.933 -12.356 1.00 13.03 H new ATOM 0 HD11 ILE A 8 17.640 -4.597 -9.452 1.00 24.33 H new ATOM 0 HD12 ILE A 8 18.595 -4.796 -10.941 1.00 24.33 H new ATOM 0 HD13 ILE A 8 18.134 -3.168 -10.390 1.00 24.33 H new ATOM 106 N SER A 9 16.879 -6.042 -14.805 1.00 64.30 N ATOM 107 CA SER A 9 17.303 -7.387 -15.176 1.00 22.55 C ATOM 108 C SER A 9 18.763 -7.620 -14.800 1.00 5.15 C ATOM 109 O SER A 9 19.575 -6.694 -14.814 1.00 62.51 O ATOM 110 CB SER A 9 17.110 -7.611 -16.677 1.00 14.34 C ATOM 111 OG SER A 9 18.077 -6.897 -17.427 1.00 73.13 O ATOM 0 H SER A 9 17.358 -5.295 -15.307 1.00 64.30 H new ATOM 0 HA SER A 9 16.686 -8.099 -14.627 1.00 22.55 H new ATOM 0 HB2 SER A 9 17.184 -8.675 -16.902 1.00 14.34 H new ATOM 0 HB3 SER A 9 16.110 -7.292 -16.970 1.00 14.34 H new ATOM 0 HG SER A 9 17.934 -7.058 -18.383 1.00 73.13 H new ATOM 117 N VAL A 10 19.091 -8.863 -14.462 1.00 75.45 N ATOM 118 CA VAL A 10 20.453 -9.220 -14.083 1.00 55.33 C ATOM 119 C VAL A 10 20.635 -10.733 -14.049 1.00 5.22 C ATOM 120 O VAL A 10 19.761 -11.464 -13.584 1.00 55.32 O ATOM 121 CB VAL A 10 20.822 -8.637 -12.706 1.00 62.31 C ATOM 122 CG1 VAL A 10 20.003 -9.300 -11.609 1.00 4.13 C ATOM 123 CG2 VAL A 10 22.312 -8.799 -12.442 1.00 53.54 C ATOM 0 H VAL A 10 18.431 -9.641 -14.443 1.00 75.45 H new ATOM 0 HA VAL A 10 21.115 -8.795 -14.838 1.00 55.33 H new ATOM 0 HB VAL A 10 20.589 -7.572 -12.707 1.00 62.31 H new ATOM 0 HG11 VAL A 10 20.277 -8.876 -10.643 1.00 4.13 H new ATOM 0 HG12 VAL A 10 18.942 -9.129 -11.793 1.00 4.13 H new ATOM 0 HG13 VAL A 10 20.202 -10.372 -11.604 1.00 4.13 H new ATOM 0 HG21 VAL A 10 22.556 -8.382 -11.465 1.00 53.54 H new ATOM 0 HG22 VAL A 10 22.572 -9.857 -12.460 1.00 53.54 H new ATOM 0 HG23 VAL A 10 22.877 -8.274 -13.212 1.00 53.54 H new ATOM 133 N ASP A 11 21.778 -11.196 -14.543 1.00 22.31 N ATOM 134 CA ASP A 11 22.078 -12.623 -14.567 1.00 74.34 C ATOM 135 C ASP A 11 23.199 -12.960 -13.589 1.00 75.21 C ATOM 136 O ASP A 11 23.967 -12.087 -13.186 1.00 22.25 O ATOM 137 CB ASP A 11 22.468 -13.060 -15.980 1.00 44.12 C ATOM 138 CG ASP A 11 22.629 -14.563 -16.098 1.00 44.30 C ATOM 139 OD1 ASP A 11 23.732 -15.066 -15.797 1.00 35.32 O ATOM 140 OD2 ASP A 11 21.654 -15.235 -16.492 1.00 74.34 O ATOM 0 H ASP A 11 22.512 -10.604 -14.932 1.00 22.31 H new ATOM 0 HA ASP A 11 21.181 -13.163 -14.263 1.00 74.34 H new ATOM 0 HB2 ASP A 11 21.708 -12.723 -16.684 1.00 44.12 H new ATOM 0 HB3 ASP A 11 23.402 -12.574 -16.263 1.00 44.12 H new ATOM 145 N TYR A 12 23.285 -14.231 -13.211 1.00 53.32 N ATOM 146 CA TYR A 12 24.309 -14.682 -12.277 1.00 63.53 C ATOM 147 C TYR A 12 24.948 -15.983 -12.756 1.00 53.22 C ATOM 148 O TYR A 12 24.277 -16.843 -13.325 1.00 34.22 O ATOM 149 CB TYR A 12 23.709 -14.879 -10.884 1.00 54.04 C ATOM 150 CG TYR A 12 22.797 -16.081 -10.782 1.00 41.01 C ATOM 151 CD1 TYR A 12 23.302 -17.334 -10.457 1.00 72.34 C ATOM 152 CD2 TYR A 12 21.432 -15.964 -11.011 1.00 52.11 C ATOM 153 CE1 TYR A 12 22.473 -18.436 -10.363 1.00 40.44 C ATOM 154 CE2 TYR A 12 20.595 -17.059 -10.918 1.00 24.41 C ATOM 155 CZ TYR A 12 21.121 -18.293 -10.594 1.00 53.00 C ATOM 156 OH TYR A 12 20.291 -19.387 -10.502 1.00 0.14 O ATOM 0 H TYR A 12 22.658 -14.966 -13.537 1.00 53.32 H new ATOM 0 HA TYR A 12 25.082 -13.915 -12.227 1.00 63.53 H new ATOM 0 HB2 TYR A 12 24.518 -14.985 -10.161 1.00 54.04 H new ATOM 0 HB3 TYR A 12 23.150 -13.985 -10.609 1.00 54.04 H new ATOM 0 HD1 TYR A 12 24.360 -17.449 -10.275 1.00 72.34 H new ATOM 0 HD2 TYR A 12 21.018 -15.000 -11.266 1.00 52.11 H new ATOM 0 HE1 TYR A 12 22.882 -19.403 -10.110 1.00 40.44 H new ATOM 0 HE2 TYR A 12 19.536 -16.950 -11.098 1.00 24.41 H new ATOM 0 HH TYR A 12 19.369 -19.115 -10.693 1.00 0.14 H new ATOM 166 N GLU A 13 26.249 -16.117 -12.521 1.00 22.34 N ATOM 167 CA GLU A 13 26.979 -17.312 -12.928 1.00 30.22 C ATOM 168 C GLU A 13 27.702 -17.940 -11.739 1.00 40.54 C ATOM 169 O GLU A 13 28.225 -17.235 -10.876 1.00 23.04 O ATOM 170 CB GLU A 13 27.985 -16.972 -14.029 1.00 42.32 C ATOM 171 CG GLU A 13 28.689 -18.188 -14.608 1.00 2.35 C ATOM 172 CD GLU A 13 29.363 -17.896 -15.934 1.00 54.34 C ATOM 173 OE1 GLU A 13 28.655 -17.498 -16.883 1.00 53.24 O ATOM 174 OE2 GLU A 13 30.596 -18.065 -16.024 1.00 44.02 O ATOM 0 H GLU A 13 26.819 -15.414 -12.051 1.00 22.34 H new ATOM 0 HA GLU A 13 26.258 -18.033 -13.314 1.00 30.22 H new ATOM 0 HB2 GLU A 13 27.468 -16.446 -14.832 1.00 42.32 H new ATOM 0 HB3 GLU A 13 28.732 -16.287 -13.628 1.00 42.32 H new ATOM 0 HG2 GLU A 13 29.434 -18.544 -13.897 1.00 2.35 H new ATOM 0 HG3 GLU A 13 27.966 -18.992 -14.742 1.00 2.35 H new ATOM 181 N ILE A 14 27.726 -19.268 -11.703 1.00 10.50 N ATOM 182 CA ILE A 14 28.385 -19.990 -10.622 1.00 14.23 C ATOM 183 C ILE A 14 29.290 -21.089 -11.167 1.00 32.45 C ATOM 184 O ILE A 14 29.000 -21.692 -12.200 1.00 55.02 O ATOM 185 CB ILE A 14 27.360 -20.615 -9.656 1.00 43.13 C ATOM 186 CG1 ILE A 14 26.338 -19.566 -9.214 1.00 74.22 C ATOM 187 CG2 ILE A 14 28.067 -21.215 -8.450 1.00 71.01 C ATOM 188 CD1 ILE A 14 26.957 -18.370 -8.527 1.00 5.04 C ATOM 0 H ILE A 14 27.297 -19.865 -12.410 1.00 10.50 H new ATOM 0 HA ILE A 14 28.988 -19.263 -10.078 1.00 14.23 H new ATOM 0 HB ILE A 14 26.831 -21.413 -10.177 1.00 43.13 H new ATOM 0 HG12 ILE A 14 25.780 -19.225 -10.086 1.00 74.22 H new ATOM 0 HG13 ILE A 14 25.621 -20.032 -8.538 1.00 74.22 H new ATOM 0 HG21 ILE A 14 27.330 -21.653 -7.777 1.00 71.01 H new ATOM 0 HG22 ILE A 14 28.760 -21.988 -8.782 1.00 71.01 H new ATOM 0 HG23 ILE A 14 28.619 -20.434 -7.926 1.00 71.01 H new ATOM 0 HD11 ILE A 14 26.173 -17.668 -8.242 1.00 5.04 H new ATOM 0 HD12 ILE A 14 27.492 -18.699 -7.636 1.00 5.04 H new ATOM 0 HD13 ILE A 14 27.653 -17.879 -9.207 1.00 5.04 H new ATOM 200 N PHE A 15 30.387 -21.347 -10.463 1.00 64.32 N ATOM 201 CA PHE A 15 31.336 -22.376 -10.875 1.00 54.45 C ATOM 202 C PHE A 15 31.692 -23.287 -9.705 1.00 25.11 C ATOM 203 O PHE A 15 31.736 -22.851 -8.555 1.00 71.33 O ATOM 204 CB PHE A 15 32.604 -21.733 -11.441 1.00 54.20 C ATOM 205 CG PHE A 15 33.663 -22.728 -11.818 1.00 62.35 C ATOM 206 CD1 PHE A 15 33.584 -23.425 -13.014 1.00 11.42 C ATOM 207 CD2 PHE A 15 34.739 -22.967 -10.978 1.00 73.33 C ATOM 208 CE1 PHE A 15 34.557 -24.342 -13.363 1.00 1.40 C ATOM 209 CE2 PHE A 15 35.715 -23.883 -11.322 1.00 43.14 C ATOM 210 CZ PHE A 15 35.625 -24.570 -12.517 1.00 32.21 C ATOM 0 H PHE A 15 30.641 -20.858 -9.605 1.00 64.32 H new ATOM 0 HA PHE A 15 30.866 -22.979 -11.652 1.00 54.45 H new ATOM 0 HB2 PHE A 15 32.342 -21.143 -12.319 1.00 54.20 H new ATOM 0 HB3 PHE A 15 33.012 -21.042 -10.703 1.00 54.20 H new ATOM 0 HD1 PHE A 15 32.753 -23.249 -13.680 1.00 11.42 H new ATOM 0 HD2 PHE A 15 34.816 -22.431 -10.043 1.00 73.33 H new ATOM 0 HE1 PHE A 15 34.483 -24.880 -14.296 1.00 1.40 H new ATOM 0 HE2 PHE A 15 36.547 -24.062 -10.657 1.00 43.14 H new ATOM 0 HZ PHE A 15 36.388 -25.284 -12.789 1.00 32.21 H new ATOM 220 N GLY A 16 31.947 -24.557 -10.007 1.00 51.22 N ATOM 221 CA GLY A 16 32.296 -25.511 -8.971 1.00 11.54 C ATOM 222 C GLY A 16 31.486 -26.788 -9.062 1.00 33.42 C ATOM 223 O GLY A 16 31.441 -27.431 -10.111 1.00 53.33 O ATOM 0 H GLY A 16 31.918 -24.942 -10.951 1.00 51.22 H new ATOM 0 HA2 GLY A 16 33.357 -25.751 -9.045 1.00 11.54 H new ATOM 0 HA3 GLY A 16 32.140 -25.054 -7.994 1.00 11.54 H new ATOM 227 N LYS A 17 30.844 -27.160 -7.959 1.00 63.32 N ATOM 228 CA LYS A 17 30.032 -28.370 -7.918 1.00 33.25 C ATOM 229 C LYS A 17 28.582 -28.064 -8.279 1.00 34.45 C ATOM 230 O LYS A 17 27.655 -28.516 -7.605 1.00 2.42 O ATOM 231 CB LYS A 17 30.099 -29.007 -6.527 1.00 50.24 C ATOM 232 CG LYS A 17 29.539 -30.418 -6.477 1.00 14.42 C ATOM 233 CD LYS A 17 30.605 -31.453 -6.791 1.00 63.01 C ATOM 234 CE LYS A 17 30.070 -32.869 -6.640 1.00 52.41 C ATOM 235 NZ LYS A 17 30.919 -33.862 -7.353 1.00 65.12 N ATOM 0 H LYS A 17 30.871 -26.640 -7.082 1.00 63.32 H new ATOM 0 HA LYS A 17 30.431 -29.071 -8.652 1.00 33.25 H new ATOM 0 HB2 LYS A 17 31.137 -29.025 -6.194 1.00 50.24 H new ATOM 0 HB3 LYS A 17 29.549 -28.382 -5.823 1.00 50.24 H new ATOM 0 HG2 LYS A 17 29.124 -30.611 -5.488 1.00 14.42 H new ATOM 0 HG3 LYS A 17 28.720 -30.511 -7.190 1.00 14.42 H new ATOM 0 HD2 LYS A 17 30.967 -31.306 -7.809 1.00 63.01 H new ATOM 0 HD3 LYS A 17 31.457 -31.312 -6.126 1.00 63.01 H new ATOM 0 HE2 LYS A 17 30.020 -33.127 -5.582 1.00 52.41 H new ATOM 0 HE3 LYS A 17 29.053 -32.916 -7.028 1.00 52.41 H new ATOM 0 HZ1 LYS A 17 30.521 -34.814 -7.226 1.00 65.12 H new ATOM 0 HZ2 LYS A 17 30.947 -33.631 -8.367 1.00 65.12 H new ATOM 0 HZ3 LYS A 17 31.884 -33.836 -6.966 1.00 65.12 H new ATOM 249 N VAL A 18 28.392 -27.296 -9.347 1.00 33.34 N ATOM 250 CA VAL A 18 27.054 -26.933 -9.799 1.00 1.53 C ATOM 251 C VAL A 18 26.707 -27.633 -11.107 1.00 72.33 C ATOM 252 O VAL A 18 25.948 -27.108 -11.921 1.00 43.53 O ATOM 253 CB VAL A 18 26.922 -25.410 -9.993 1.00 61.45 C ATOM 254 CG1 VAL A 18 27.015 -24.691 -8.657 1.00 14.24 C ATOM 255 CG2 VAL A 18 27.985 -24.903 -10.956 1.00 52.32 C ATOM 0 H VAL A 18 29.148 -26.913 -9.915 1.00 33.34 H new ATOM 0 HA VAL A 18 26.359 -27.255 -9.023 1.00 1.53 H new ATOM 0 HB VAL A 18 25.943 -25.199 -10.423 1.00 61.45 H new ATOM 0 HG11 VAL A 18 26.920 -23.617 -8.815 1.00 14.24 H new ATOM 0 HG12 VAL A 18 26.214 -25.034 -8.003 1.00 14.24 H new ATOM 0 HG13 VAL A 18 27.978 -24.906 -8.195 1.00 14.24 H new ATOM 0 HG21 VAL A 18 27.878 -23.826 -11.082 1.00 52.32 H new ATOM 0 HG22 VAL A 18 28.974 -25.125 -10.556 1.00 52.32 H new ATOM 0 HG23 VAL A 18 27.866 -25.395 -11.921 1.00 52.32 H new ATOM 265 N GLN A 19 27.267 -28.823 -11.302 1.00 13.12 N ATOM 266 CA GLN A 19 27.016 -29.596 -12.512 1.00 52.15 C ATOM 267 C GLN A 19 26.632 -31.032 -12.172 1.00 15.14 C ATOM 268 O GLN A 19 27.466 -31.820 -11.730 1.00 23.40 O ATOM 269 CB GLN A 19 28.251 -29.586 -13.414 1.00 65.51 C ATOM 270 CG GLN A 19 29.524 -30.025 -12.707 1.00 52.02 C ATOM 271 CD GLN A 19 30.775 -29.687 -13.494 1.00 52.20 C ATOM 272 OE1 GLN A 19 30.950 -30.136 -14.627 1.00 53.11 O ATOM 273 NE2 GLN A 19 31.653 -28.891 -12.896 1.00 44.20 N ATOM 0 H GLN A 19 27.897 -29.272 -10.638 1.00 13.12 H new ATOM 0 HA GLN A 19 26.184 -29.133 -13.042 1.00 52.15 H new ATOM 0 HB2 GLN A 19 28.074 -30.242 -14.266 1.00 65.51 H new ATOM 0 HB3 GLN A 19 28.393 -28.581 -13.810 1.00 65.51 H new ATOM 0 HG2 GLN A 19 29.575 -29.547 -11.729 1.00 52.02 H new ATOM 0 HG3 GLN A 19 29.487 -31.101 -12.535 1.00 52.02 H new ATOM 0 HE21 GLN A 19 31.467 -28.542 -11.956 1.00 44.20 H new ATOM 0 HE22 GLN A 19 32.513 -28.629 -13.377 1.00 44.20 H new ATOM 282 N GLY A 20 25.361 -31.365 -12.380 1.00 1.24 N ATOM 283 CA GLY A 20 24.888 -32.706 -12.088 1.00 44.44 C ATOM 284 C GLY A 20 24.418 -32.856 -10.655 1.00 64.21 C ATOM 285 O GLY A 20 24.838 -33.774 -9.950 1.00 10.55 O ATOM 0 H GLY A 20 24.651 -30.730 -12.745 1.00 1.24 H new ATOM 0 HA2 GLY A 20 24.069 -32.954 -12.763 1.00 44.44 H new ATOM 0 HA3 GLY A 20 25.688 -33.420 -12.281 1.00 44.44 H new ATOM 289 N VAL A 21 23.545 -31.952 -10.222 1.00 44.01 N ATOM 290 CA VAL A 21 23.018 -31.988 -8.863 1.00 43.32 C ATOM 291 C VAL A 21 21.543 -31.606 -8.836 1.00 13.40 C ATOM 292 O VAL A 21 21.045 -30.943 -9.747 1.00 32.43 O ATOM 293 CB VAL A 21 23.800 -31.041 -7.933 1.00 13.10 C ATOM 294 CG1 VAL A 21 25.283 -31.380 -7.950 1.00 14.54 C ATOM 295 CG2 VAL A 21 23.571 -29.592 -8.334 1.00 51.44 C ATOM 0 H VAL A 21 23.188 -31.186 -10.793 1.00 44.01 H new ATOM 0 HA VAL A 21 23.132 -33.012 -8.506 1.00 43.32 H new ATOM 0 HB VAL A 21 23.433 -31.174 -6.915 1.00 13.10 H new ATOM 0 HG11 VAL A 21 25.819 -30.701 -7.287 1.00 14.54 H new ATOM 0 HG12 VAL A 21 25.426 -32.406 -7.611 1.00 14.54 H new ATOM 0 HG13 VAL A 21 25.668 -31.277 -8.964 1.00 14.54 H new ATOM 0 HG21 VAL A 21 24.131 -28.937 -7.666 1.00 51.44 H new ATOM 0 HG22 VAL A 21 23.909 -29.440 -9.359 1.00 51.44 H new ATOM 0 HG23 VAL A 21 22.509 -29.359 -8.264 1.00 51.44 H new ATOM 305 N PHE A 22 20.847 -32.027 -7.785 1.00 4.12 N ATOM 306 CA PHE A 22 19.427 -31.729 -7.638 1.00 63.43 C ATOM 307 C PHE A 22 19.222 -30.399 -6.920 1.00 33.24 C ATOM 308 O PHE A 22 18.932 -30.365 -5.724 1.00 33.25 O ATOM 309 CB PHE A 22 18.726 -32.851 -6.869 1.00 62.14 C ATOM 310 CG PHE A 22 18.938 -34.212 -7.469 1.00 13.11 C ATOM 311 CD1 PHE A 22 18.737 -34.426 -8.823 1.00 43.20 C ATOM 312 CD2 PHE A 22 19.336 -35.278 -6.678 1.00 4.50 C ATOM 313 CE1 PHE A 22 18.931 -35.677 -9.378 1.00 44.30 C ATOM 314 CE2 PHE A 22 19.533 -36.530 -7.227 1.00 75.43 C ATOM 315 CZ PHE A 22 19.329 -36.731 -8.579 1.00 14.43 C ATOM 0 H PHE A 22 21.244 -32.576 -7.022 1.00 4.12 H new ATOM 0 HA PHE A 22 18.992 -31.654 -8.634 1.00 63.43 H new ATOM 0 HB2 PHE A 22 19.087 -32.856 -5.840 1.00 62.14 H new ATOM 0 HB3 PHE A 22 17.657 -32.642 -6.831 1.00 62.14 H new ATOM 0 HD1 PHE A 22 18.425 -33.606 -9.452 1.00 43.20 H new ATOM 0 HD2 PHE A 22 19.494 -35.128 -5.620 1.00 4.50 H new ATOM 0 HE1 PHE A 22 18.772 -35.830 -10.435 1.00 44.30 H new ATOM 0 HE2 PHE A 22 19.846 -37.352 -6.600 1.00 75.43 H new ATOM 0 HZ PHE A 22 19.480 -37.710 -9.010 1.00 14.43 H new ATOM 325 N PHE A 23 19.375 -29.305 -7.658 1.00 14.21 N ATOM 326 CA PHE A 23 19.208 -27.971 -7.092 1.00 34.31 C ATOM 327 C PHE A 23 18.056 -27.234 -7.769 1.00 1.43 C ATOM 328 O PHE A 23 17.388 -26.404 -7.151 1.00 44.44 O ATOM 329 CB PHE A 23 20.500 -27.166 -7.239 1.00 24.22 C ATOM 330 CG PHE A 23 20.776 -26.726 -8.648 1.00 54.02 C ATOM 331 CD1 PHE A 23 21.194 -27.638 -9.604 1.00 22.03 C ATOM 332 CD2 PHE A 23 20.615 -25.400 -9.018 1.00 22.31 C ATOM 333 CE1 PHE A 23 21.449 -27.235 -10.901 1.00 32.30 C ATOM 334 CE2 PHE A 23 20.868 -24.992 -10.314 1.00 11.21 C ATOM 335 CZ PHE A 23 21.284 -25.911 -11.257 1.00 3.11 C ATOM 0 H PHE A 23 19.614 -29.315 -8.649 1.00 14.21 H new ATOM 0 HA PHE A 23 18.975 -28.079 -6.033 1.00 34.31 H new ATOM 0 HB2 PHE A 23 20.446 -26.287 -6.597 1.00 24.22 H new ATOM 0 HB3 PHE A 23 21.336 -27.769 -6.885 1.00 24.22 H new ATOM 0 HD1 PHE A 23 21.322 -28.675 -9.332 1.00 22.03 H new ATOM 0 HD2 PHE A 23 20.288 -24.677 -8.285 1.00 22.31 H new ATOM 0 HE1 PHE A 23 21.777 -27.955 -11.636 1.00 32.30 H new ATOM 0 HE2 PHE A 23 20.740 -23.955 -10.589 1.00 11.21 H new ATOM 0 HZ PHE A 23 21.480 -25.595 -12.271 1.00 3.11 H new ATOM 345 N ARG A 24 17.830 -27.542 -9.042 1.00 23.25 N ATOM 346 CA ARG A 24 16.761 -26.908 -9.803 1.00 44.15 C ATOM 347 C ARG A 24 15.412 -27.114 -9.122 1.00 73.42 C ATOM 348 O ARG A 24 14.498 -26.302 -9.270 1.00 24.11 O ATOM 349 CB ARG A 24 16.718 -27.469 -11.226 1.00 32.10 C ATOM 350 CG ARG A 24 16.417 -28.958 -11.284 1.00 42.24 C ATOM 351 CD ARG A 24 14.925 -29.220 -11.421 1.00 5.03 C ATOM 352 NE ARG A 24 14.651 -30.458 -12.145 1.00 42.13 N ATOM 353 CZ ARG A 24 14.845 -30.603 -13.451 1.00 62.44 C ATOM 354 NH1 ARG A 24 15.312 -29.593 -14.172 1.00 64.31 N ATOM 355 NH2 ARG A 24 14.572 -31.761 -14.039 1.00 61.30 N ATOM 0 H ARG A 24 18.373 -28.227 -9.568 1.00 23.25 H new ATOM 0 HA ARG A 24 16.966 -25.838 -9.847 1.00 44.15 H new ATOM 0 HB2 ARG A 24 15.961 -26.931 -11.797 1.00 32.10 H new ATOM 0 HB3 ARG A 24 17.676 -27.281 -11.711 1.00 32.10 H new ATOM 0 HG2 ARG A 24 16.945 -29.404 -12.127 1.00 42.24 H new ATOM 0 HG3 ARG A 24 16.791 -29.441 -10.381 1.00 42.24 H new ATOM 0 HD2 ARG A 24 14.474 -29.272 -10.430 1.00 5.03 H new ATOM 0 HD3 ARG A 24 14.457 -28.385 -11.941 1.00 5.03 H new ATOM 0 HE ARG A 24 14.291 -31.255 -11.619 1.00 42.13 H new ATOM 0 HH11 ARG A 24 15.523 -28.701 -13.724 1.00 64.31 H new ATOM 0 HH12 ARG A 24 15.460 -29.708 -15.175 1.00 64.31 H new ATOM 0 HH21 ARG A 24 14.213 -32.541 -13.488 1.00 61.30 H new ATOM 0 HH22 ARG A 24 14.721 -31.871 -15.042 1.00 61.30 H new ATOM 369 N LYS A 25 15.293 -28.207 -8.376 1.00 33.22 N ATOM 370 CA LYS A 25 14.056 -28.522 -7.671 1.00 12.34 C ATOM 371 C LYS A 25 13.742 -27.459 -6.622 1.00 24.53 C ATOM 372 O LYS A 25 12.578 -27.170 -6.345 1.00 73.34 O ATOM 373 CB LYS A 25 14.159 -29.896 -7.005 1.00 4.10 C ATOM 374 CG LYS A 25 13.818 -31.049 -7.933 1.00 41.43 C ATOM 375 CD LYS A 25 13.655 -32.351 -7.168 1.00 60.22 C ATOM 376 CE LYS A 25 12.821 -33.355 -7.949 1.00 21.51 C ATOM 377 NZ LYS A 25 13.545 -33.867 -9.146 1.00 3.45 N ATOM 0 H LYS A 25 16.039 -28.890 -8.244 1.00 33.22 H new ATOM 0 HA LYS A 25 13.246 -28.539 -8.400 1.00 12.34 H new ATOM 0 HB2 LYS A 25 15.172 -30.032 -6.627 1.00 4.10 H new ATOM 0 HB3 LYS A 25 13.491 -29.924 -6.144 1.00 4.10 H new ATOM 0 HG2 LYS A 25 12.897 -30.824 -8.471 1.00 41.43 H new ATOM 0 HG3 LYS A 25 14.604 -31.161 -8.680 1.00 41.43 H new ATOM 0 HD2 LYS A 25 14.636 -32.776 -6.958 1.00 60.22 H new ATOM 0 HD3 LYS A 25 13.181 -32.153 -6.206 1.00 60.22 H new ATOM 0 HE2 LYS A 25 12.556 -34.190 -7.300 1.00 21.51 H new ATOM 0 HE3 LYS A 25 11.888 -32.886 -8.262 1.00 21.51 H new ATOM 0 HZ1 LYS A 25 12.943 -34.548 -9.651 1.00 3.45 H new ATOM 0 HZ2 LYS A 25 13.775 -33.074 -9.778 1.00 3.45 H new ATOM 0 HZ3 LYS A 25 14.423 -34.337 -8.846 1.00 3.45 H new ATOM 391 N HIS A 26 14.789 -26.880 -6.041 1.00 73.25 N ATOM 392 CA HIS A 26 14.624 -25.848 -5.024 1.00 43.13 C ATOM 393 C HIS A 26 14.769 -24.457 -5.634 1.00 12.32 C ATOM 394 O HIS A 26 14.151 -23.497 -5.171 1.00 41.23 O ATOM 395 CB HIS A 26 15.650 -26.036 -3.906 1.00 34.42 C ATOM 396 CG HIS A 26 15.316 -25.284 -2.654 1.00 41.05 C ATOM 397 ND1 HIS A 26 15.478 -23.920 -2.530 1.00 65.34 N ATOM 398 CD2 HIS A 26 14.825 -25.712 -1.468 1.00 70.31 C ATOM 399 CE1 HIS A 26 15.103 -23.543 -1.321 1.00 43.43 C ATOM 400 NE2 HIS A 26 14.702 -24.611 -0.657 1.00 30.32 N ATOM 0 H HIS A 26 15.759 -27.108 -6.257 1.00 73.25 H new ATOM 0 HA HIS A 26 13.621 -25.940 -4.607 1.00 43.13 H new ATOM 0 HB2 HIS A 26 15.730 -27.098 -3.672 1.00 34.42 H new ATOM 0 HB3 HIS A 26 16.628 -25.714 -4.264 1.00 34.42 H new ATOM 0 HD2 HIS A 26 14.576 -26.730 -1.208 1.00 70.31 H new ATOM 0 HE1 HIS A 26 15.121 -22.532 -0.940 1.00 43.43 H new ATOM 0 HE2 HIS A 26 14.357 -24.617 0.303 1.00 30.32 H new ATOM 408 N THR A 27 15.590 -24.354 -6.675 1.00 34.04 N ATOM 409 CA THR A 27 15.817 -23.081 -7.346 1.00 51.30 C ATOM 410 C THR A 27 14.538 -22.567 -7.998 1.00 65.24 C ATOM 411 O THR A 27 14.257 -21.370 -7.973 1.00 55.42 O ATOM 412 CB THR A 27 16.915 -23.200 -8.419 1.00 44.33 C ATOM 413 OG1 THR A 27 18.010 -23.973 -7.916 1.00 5.11 O ATOM 414 CG2 THR A 27 17.411 -21.825 -8.842 1.00 13.35 C ATOM 0 H THR A 27 16.109 -25.138 -7.071 1.00 34.04 H new ATOM 0 HA THR A 27 16.141 -22.374 -6.582 1.00 51.30 H new ATOM 0 HB THR A 27 16.488 -23.698 -9.289 1.00 44.33 H new ATOM 0 HG1 THR A 27 17.789 -24.926 -7.968 1.00 5.11 H new ATOM 0 HG21 THR A 27 18.186 -21.935 -9.600 1.00 13.35 H new ATOM 0 HG22 THR A 27 16.581 -21.249 -9.252 1.00 13.35 H new ATOM 0 HG23 THR A 27 17.821 -21.304 -7.977 1.00 13.35 H new ATOM 422 N GLN A 28 13.769 -23.481 -8.581 1.00 52.21 N ATOM 423 CA GLN A 28 12.520 -23.119 -9.240 1.00 54.42 C ATOM 424 C GLN A 28 11.634 -22.293 -8.313 1.00 3.23 C ATOM 425 O GLN A 28 10.857 -21.453 -8.766 1.00 32.32 O ATOM 426 CB GLN A 28 11.773 -24.375 -9.691 1.00 65.44 C ATOM 427 CG GLN A 28 10.373 -24.097 -10.214 1.00 23.00 C ATOM 428 CD GLN A 28 9.639 -25.361 -10.616 1.00 15.40 C ATOM 429 OE1 GLN A 28 9.900 -26.440 -10.085 1.00 32.24 O ATOM 430 NE2 GLN A 28 8.713 -25.233 -11.559 1.00 54.32 N ATOM 0 H GLN A 28 13.989 -24.477 -8.610 1.00 52.21 H new ATOM 0 HA GLN A 28 12.763 -22.515 -10.114 1.00 54.42 H new ATOM 0 HB2 GLN A 28 12.351 -24.871 -10.471 1.00 65.44 H new ATOM 0 HB3 GLN A 28 11.707 -25.069 -8.853 1.00 65.44 H new ATOM 0 HG2 GLN A 28 9.799 -23.577 -9.447 1.00 23.00 H new ATOM 0 HG3 GLN A 28 10.436 -23.429 -11.073 1.00 23.00 H new ATOM 0 HE21 GLN A 28 8.529 -24.319 -11.972 1.00 54.32 H new ATOM 0 HE22 GLN A 28 8.186 -26.049 -11.870 1.00 54.32 H new ATOM 439 N ALA A 29 11.758 -22.537 -7.012 1.00 74.43 N ATOM 440 CA ALA A 29 10.970 -21.815 -6.021 1.00 71.20 C ATOM 441 C ALA A 29 11.804 -20.739 -5.335 1.00 23.13 C ATOM 442 O ALA A 29 11.270 -19.742 -4.850 1.00 71.13 O ATOM 443 CB ALA A 29 10.402 -22.782 -4.992 1.00 51.42 C ATOM 0 H ALA A 29 12.397 -23.229 -6.620 1.00 74.43 H new ATOM 0 HA ALA A 29 10.144 -21.324 -6.536 1.00 71.20 H new ATOM 0 HB1 ALA A 29 9.816 -22.229 -4.258 1.00 51.42 H new ATOM 0 HB2 ALA A 29 9.764 -23.511 -5.491 1.00 51.42 H new ATOM 0 HB3 ALA A 29 11.219 -23.299 -4.489 1.00 51.42 H new ATOM 449 N GLU A 30 13.116 -20.949 -5.297 1.00 5.44 N ATOM 450 CA GLU A 30 14.024 -19.996 -4.667 1.00 54.15 C ATOM 451 C GLU A 30 13.877 -18.611 -5.292 1.00 31.21 C ATOM 452 O GLU A 30 14.167 -17.598 -4.657 1.00 33.10 O ATOM 453 CB GLU A 30 15.471 -20.475 -4.796 1.00 41.41 C ATOM 454 CG GLU A 30 16.401 -19.890 -3.747 1.00 3.43 C ATOM 455 CD GLU A 30 17.828 -20.384 -3.891 1.00 35.04 C ATOM 456 OE1 GLU A 30 18.197 -20.815 -5.002 1.00 63.34 O ATOM 457 OE2 GLU A 30 18.574 -20.339 -2.890 1.00 60.02 O ATOM 0 H GLU A 30 13.574 -21.769 -5.694 1.00 5.44 H new ATOM 0 HA GLU A 30 13.764 -19.929 -3.611 1.00 54.15 H new ATOM 0 HB2 GLU A 30 15.493 -21.562 -4.723 1.00 41.41 H new ATOM 0 HB3 GLU A 30 15.844 -20.214 -5.786 1.00 41.41 H new ATOM 0 HG2 GLU A 30 16.388 -18.803 -3.821 1.00 3.43 H new ATOM 0 HG3 GLU A 30 16.030 -20.146 -2.755 1.00 3.43 H new ATOM 464 N GLY A 31 13.425 -18.577 -6.542 1.00 11.21 N ATOM 465 CA GLY A 31 13.248 -17.313 -7.232 1.00 41.33 C ATOM 466 C GLY A 31 11.941 -16.634 -6.873 1.00 43.32 C ATOM 467 O GLY A 31 11.930 -15.482 -6.437 1.00 61.41 O ATOM 0 H GLY A 31 13.178 -19.402 -7.089 1.00 11.21 H new ATOM 0 HA2 GLY A 31 14.078 -16.650 -6.987 1.00 41.33 H new ATOM 0 HA3 GLY A 31 13.282 -17.482 -8.308 1.00 41.33 H new ATOM 471 N LYS A 32 10.836 -17.347 -7.058 1.00 54.10 N ATOM 472 CA LYS A 32 9.516 -16.807 -6.751 1.00 62.33 C ATOM 473 C LYS A 32 9.362 -16.565 -5.253 1.00 63.11 C ATOM 474 O LYS A 32 8.515 -15.782 -4.824 1.00 40.41 O ATOM 475 CB LYS A 32 8.425 -17.764 -7.239 1.00 4.42 C ATOM 476 CG LYS A 32 8.250 -18.987 -6.356 1.00 10.11 C ATOM 477 CD LYS A 32 7.029 -18.858 -5.460 1.00 41.05 C ATOM 478 CE LYS A 32 6.410 -20.215 -5.164 1.00 35.00 C ATOM 479 NZ LYS A 32 7.243 -21.011 -4.221 1.00 31.20 N ATOM 0 H LYS A 32 10.828 -18.301 -7.419 1.00 54.10 H new ATOM 0 HA LYS A 32 9.412 -15.853 -7.268 1.00 62.33 H new ATOM 0 HB2 LYS A 32 7.479 -17.226 -7.292 1.00 4.42 H new ATOM 0 HB3 LYS A 32 8.664 -18.089 -8.252 1.00 4.42 H new ATOM 0 HG2 LYS A 32 8.153 -19.876 -6.979 1.00 10.11 H new ATOM 0 HG3 LYS A 32 9.140 -19.124 -5.742 1.00 10.11 H new ATOM 0 HD2 LYS A 32 7.312 -18.374 -4.525 1.00 41.05 H new ATOM 0 HD3 LYS A 32 6.290 -18.217 -5.940 1.00 41.05 H new ATOM 0 HE2 LYS A 32 5.415 -20.076 -4.741 1.00 35.00 H new ATOM 0 HE3 LYS A 32 6.286 -20.768 -6.095 1.00 35.00 H new ATOM 0 HZ1 LYS A 32 7.184 -22.019 -4.471 1.00 31.20 H new ATOM 0 HZ2 LYS A 32 8.232 -20.697 -4.281 1.00 31.20 H new ATOM 0 HZ3 LYS A 32 6.895 -20.875 -3.250 1.00 31.20 H new ATOM 493 N LYS A 33 10.188 -17.241 -4.461 1.00 74.33 N ATOM 494 CA LYS A 33 10.146 -17.098 -3.011 1.00 32.21 C ATOM 495 C LYS A 33 11.138 -16.040 -2.540 1.00 25.23 C ATOM 496 O LYS A 33 11.253 -15.770 -1.343 1.00 73.33 O ATOM 497 CB LYS A 33 10.453 -18.437 -2.337 1.00 20.25 C ATOM 498 CG LYS A 33 9.962 -18.522 -0.902 1.00 23.34 C ATOM 499 CD LYS A 33 10.765 -19.530 -0.097 1.00 22.34 C ATOM 500 CE LYS A 33 12.090 -18.945 0.367 1.00 45.03 C ATOM 501 NZ LYS A 33 11.944 -18.172 1.631 1.00 33.32 N ATOM 0 H LYS A 33 10.895 -17.894 -4.800 1.00 74.33 H new ATOM 0 HA LYS A 33 9.142 -16.779 -2.731 1.00 32.21 H new ATOM 0 HB2 LYS A 33 9.996 -19.239 -2.917 1.00 20.25 H new ATOM 0 HB3 LYS A 33 11.530 -18.605 -2.354 1.00 20.25 H new ATOM 0 HG2 LYS A 33 10.034 -17.541 -0.433 1.00 23.34 H new ATOM 0 HG3 LYS A 33 8.909 -18.804 -0.893 1.00 23.34 H new ATOM 0 HD2 LYS A 33 10.185 -19.851 0.768 1.00 22.34 H new ATOM 0 HD3 LYS A 33 10.950 -20.417 -0.703 1.00 22.34 H new ATOM 0 HE2 LYS A 33 12.810 -19.750 0.515 1.00 45.03 H new ATOM 0 HE3 LYS A 33 12.492 -18.296 -0.411 1.00 45.03 H new ATOM 0 HZ1 LYS A 33 12.869 -17.790 1.913 1.00 33.32 H new ATOM 0 HZ2 LYS A 33 11.276 -17.388 1.484 1.00 33.32 H new ATOM 0 HZ3 LYS A 33 11.584 -18.797 2.380 1.00 33.32 H new ATOM 515 N LEU A 34 11.853 -15.443 -3.487 1.00 4.12 N ATOM 516 CA LEU A 34 12.836 -14.412 -3.169 1.00 33.54 C ATOM 517 C LEU A 34 12.533 -13.121 -3.921 1.00 43.24 C ATOM 518 O LEU A 34 12.127 -12.124 -3.326 1.00 43.31 O ATOM 519 CB LEU A 34 14.244 -14.899 -3.513 1.00 64.22 C ATOM 520 CG LEU A 34 15.394 -13.986 -3.085 1.00 34.14 C ATOM 521 CD1 LEU A 34 15.271 -13.629 -1.611 1.00 73.14 C ATOM 522 CD2 LEU A 34 16.734 -14.649 -3.365 1.00 24.04 C ATOM 0 H LEU A 34 11.771 -15.655 -4.481 1.00 4.12 H new ATOM 0 HA LEU A 34 12.780 -14.209 -2.100 1.00 33.54 H new ATOM 0 HB2 LEU A 34 14.391 -15.876 -3.052 1.00 64.22 H new ATOM 0 HB3 LEU A 34 14.303 -15.043 -4.592 1.00 64.22 H new ATOM 0 HG LEU A 34 15.338 -13.066 -3.667 1.00 34.14 H new ATOM 0 HD11 LEU A 34 16.098 -12.979 -1.324 1.00 73.14 H new ATOM 0 HD12 LEU A 34 14.327 -13.113 -1.439 1.00 73.14 H new ATOM 0 HD13 LEU A 34 15.301 -14.539 -1.012 1.00 73.14 H new ATOM 0 HD21 LEU A 34 17.541 -13.985 -3.054 1.00 24.04 H new ATOM 0 HD22 LEU A 34 16.800 -15.585 -2.810 1.00 24.04 H new ATOM 0 HD23 LEU A 34 16.823 -14.853 -4.432 1.00 24.04 H new ATOM 534 N GLY A 35 12.732 -13.147 -5.236 1.00 24.31 N ATOM 535 CA GLY A 35 12.474 -11.973 -6.049 1.00 70.41 C ATOM 536 C GLY A 35 11.066 -11.956 -6.612 1.00 25.14 C ATOM 537 O GLY A 35 10.103 -11.706 -5.886 1.00 71.02 O ATOM 0 H GLY A 35 13.067 -13.960 -5.752 1.00 24.31 H new ATOM 0 HA2 GLY A 35 12.633 -11.077 -5.449 1.00 70.41 H new ATOM 0 HA3 GLY A 35 13.191 -11.938 -6.870 1.00 70.41 H new ATOM 541 N LEU A 36 10.946 -12.221 -7.908 1.00 10.32 N ATOM 542 CA LEU A 36 9.645 -12.233 -8.568 1.00 64.14 C ATOM 543 C LEU A 36 9.494 -13.468 -9.450 1.00 63.43 C ATOM 544 O LEU A 36 8.623 -14.307 -9.219 1.00 13.51 O ATOM 545 CB LEU A 36 9.466 -10.968 -9.409 1.00 1.52 C ATOM 546 CG LEU A 36 8.034 -10.448 -9.543 1.00 22.11 C ATOM 547 CD1 LEU A 36 7.152 -11.484 -10.223 1.00 2.33 C ATOM 548 CD2 LEU A 36 7.471 -10.078 -8.178 1.00 61.34 C ATOM 0 H LEU A 36 11.733 -12.430 -8.522 1.00 10.32 H new ATOM 0 HA LEU A 36 8.875 -12.262 -7.798 1.00 64.14 H new ATOM 0 HB2 LEU A 36 10.079 -10.178 -8.975 1.00 1.52 H new ATOM 0 HB3 LEU A 36 9.856 -11.162 -10.408 1.00 1.52 H new ATOM 0 HG LEU A 36 8.049 -9.551 -10.162 1.00 22.11 H new ATOM 0 HD11 LEU A 36 6.137 -11.097 -10.310 1.00 2.33 H new ATOM 0 HD12 LEU A 36 7.544 -11.700 -11.217 1.00 2.33 H new ATOM 0 HD13 LEU A 36 7.142 -12.399 -9.630 1.00 2.33 H new ATOM 0 HD21 LEU A 36 6.451 -9.710 -8.293 1.00 61.34 H new ATOM 0 HD22 LEU A 36 7.469 -10.958 -7.535 1.00 61.34 H new ATOM 0 HD23 LEU A 36 8.089 -9.301 -7.728 1.00 61.34 H new ATOM 560 N VAL A 37 10.351 -13.576 -10.461 1.00 54.13 N ATOM 561 CA VAL A 37 10.315 -14.711 -11.376 1.00 51.52 C ATOM 562 C VAL A 37 11.707 -15.032 -11.907 1.00 61.25 C ATOM 563 O VAL A 37 12.671 -14.323 -11.622 1.00 22.55 O ATOM 564 CB VAL A 37 9.373 -14.443 -12.565 1.00 73.41 C ATOM 565 CG1 VAL A 37 7.921 -14.465 -12.112 1.00 20.44 C ATOM 566 CG2 VAL A 37 9.713 -13.117 -13.226 1.00 43.55 C ATOM 0 H VAL A 37 11.078 -12.891 -10.667 1.00 54.13 H new ATOM 0 HA VAL A 37 9.940 -15.563 -10.810 1.00 51.52 H new ATOM 0 HB VAL A 37 9.511 -15.235 -13.301 1.00 73.41 H new ATOM 0 HG11 VAL A 37 7.271 -14.274 -12.966 1.00 20.44 H new ATOM 0 HG12 VAL A 37 7.687 -15.442 -11.689 1.00 20.44 H new ATOM 0 HG13 VAL A 37 7.764 -13.695 -11.356 1.00 20.44 H new ATOM 0 HG21 VAL A 37 9.037 -12.944 -14.064 1.00 43.55 H new ATOM 0 HG22 VAL A 37 9.605 -12.311 -12.501 1.00 43.55 H new ATOM 0 HG23 VAL A 37 10.741 -13.144 -13.588 1.00 43.55 H new ATOM 576 N GLY A 38 11.805 -16.107 -12.684 1.00 73.11 N ATOM 577 CA GLY A 38 13.083 -16.504 -13.244 1.00 23.21 C ATOM 578 C GLY A 38 13.082 -17.939 -13.733 1.00 54.12 C ATOM 579 O GLY A 38 12.176 -18.709 -13.414 1.00 23.44 O ATOM 0 H GLY A 38 11.021 -16.710 -12.935 1.00 73.11 H new ATOM 0 HA2 GLY A 38 13.335 -15.842 -14.072 1.00 23.21 H new ATOM 0 HA3 GLY A 38 13.860 -16.381 -12.490 1.00 23.21 H new ATOM 583 N TRP A 39 14.096 -18.298 -14.511 1.00 41.23 N ATOM 584 CA TRP A 39 14.207 -19.650 -15.047 1.00 51.22 C ATOM 585 C TRP A 39 15.613 -20.202 -14.844 1.00 23.40 C ATOM 586 O TRP A 39 16.590 -19.453 -14.836 1.00 62.24 O ATOM 587 CB TRP A 39 13.851 -19.662 -16.535 1.00 0.42 C ATOM 588 CG TRP A 39 14.875 -18.986 -17.396 1.00 12.22 C ATOM 589 CD1 TRP A 39 15.957 -19.567 -17.992 1.00 70.42 C ATOM 590 CD2 TRP A 39 14.913 -17.600 -17.755 1.00 32.33 C ATOM 591 NE1 TRP A 39 16.666 -18.627 -18.700 1.00 54.23 N ATOM 592 CE2 TRP A 39 16.045 -17.412 -18.571 1.00 62.43 C ATOM 593 CE3 TRP A 39 14.100 -16.501 -17.468 1.00 13.33 C ATOM 594 CZ2 TRP A 39 16.383 -16.170 -19.101 1.00 12.22 C ATOM 595 CZ3 TRP A 39 14.436 -15.268 -17.994 1.00 3.03 C ATOM 596 CH2 TRP A 39 15.569 -15.111 -18.803 1.00 40.54 C ATOM 0 H TRP A 39 14.853 -17.672 -14.785 1.00 41.23 H new ATOM 0 HA TRP A 39 13.505 -20.286 -14.508 1.00 51.22 H new ATOM 0 HB2 TRP A 39 13.734 -20.694 -16.865 1.00 0.42 H new ATOM 0 HB3 TRP A 39 12.888 -19.171 -16.675 1.00 0.42 H new ATOM 0 HD1 TRP A 39 16.218 -20.612 -17.918 1.00 70.42 H new ATOM 0 HE1 TRP A 39 17.516 -18.804 -19.235 1.00 54.23 H new ATOM 0 HE3 TRP A 39 13.224 -16.613 -16.846 1.00 13.33 H new ATOM 0 HZ2 TRP A 39 17.256 -16.047 -19.725 1.00 12.22 H new ATOM 0 HZ3 TRP A 39 13.815 -14.411 -17.778 1.00 3.03 H new ATOM 0 HH2 TRP A 39 15.805 -14.134 -19.199 1.00 40.54 H new ATOM 607 N VAL A 40 15.710 -21.518 -14.680 1.00 13.05 N ATOM 608 CA VAL A 40 16.998 -22.171 -14.478 1.00 13.25 C ATOM 609 C VAL A 40 17.525 -22.762 -15.780 1.00 55.13 C ATOM 610 O VAL A 40 16.765 -23.319 -16.572 1.00 33.43 O ATOM 611 CB VAL A 40 16.901 -23.288 -13.422 1.00 21.13 C ATOM 612 CG1 VAL A 40 18.274 -23.883 -13.147 1.00 34.32 C ATOM 613 CG2 VAL A 40 16.275 -22.758 -12.141 1.00 54.40 C ATOM 0 H VAL A 40 14.912 -22.153 -14.683 1.00 13.05 H new ATOM 0 HA VAL A 40 17.689 -21.406 -14.124 1.00 13.25 H new ATOM 0 HB VAL A 40 16.260 -24.078 -13.812 1.00 21.13 H new ATOM 0 HG11 VAL A 40 18.186 -24.670 -12.399 1.00 34.32 H new ATOM 0 HG12 VAL A 40 18.680 -24.301 -14.068 1.00 34.32 H new ATOM 0 HG13 VAL A 40 18.941 -23.104 -12.777 1.00 34.32 H new ATOM 0 HG21 VAL A 40 16.214 -23.561 -11.406 1.00 54.40 H new ATOM 0 HG22 VAL A 40 16.888 -21.949 -11.744 1.00 54.40 H new ATOM 0 HG23 VAL A 40 15.273 -22.384 -12.353 1.00 54.40 H new ATOM 623 N GLN A 41 18.830 -22.636 -15.995 1.00 61.14 N ATOM 624 CA GLN A 41 19.459 -23.158 -17.203 1.00 75.22 C ATOM 625 C GLN A 41 20.884 -23.620 -16.919 1.00 42.41 C ATOM 626 O GLN A 41 21.609 -22.990 -16.150 1.00 12.02 O ATOM 627 CB GLN A 41 19.464 -22.094 -18.302 1.00 14.23 C ATOM 628 CG GLN A 41 19.436 -22.671 -19.708 1.00 0.41 C ATOM 629 CD GLN A 41 19.306 -21.602 -20.775 1.00 2.52 C ATOM 630 OE1 GLN A 41 18.207 -21.307 -21.245 1.00 33.33 O ATOM 631 NE2 GLN A 41 20.431 -21.013 -21.164 1.00 23.14 N ATOM 0 H GLN A 41 19.473 -22.177 -15.349 1.00 61.14 H new ATOM 0 HA GLN A 41 18.879 -24.017 -17.542 1.00 75.22 H new ATOM 0 HB2 GLN A 41 18.601 -21.442 -18.169 1.00 14.23 H new ATOM 0 HB3 GLN A 41 20.353 -21.473 -18.191 1.00 14.23 H new ATOM 0 HG2 GLN A 41 20.348 -23.242 -19.880 1.00 0.41 H new ATOM 0 HG3 GLN A 41 18.602 -23.368 -19.794 1.00 0.41 H new ATOM 0 HE21 GLN A 41 21.321 -21.288 -20.748 1.00 23.14 H new ATOM 0 HE22 GLN A 41 20.405 -20.286 -21.879 1.00 23.14 H new ATOM 640 N ASN A 42 21.280 -24.723 -17.545 1.00 74.24 N ATOM 641 CA ASN A 42 22.619 -25.270 -17.359 1.00 12.41 C ATOM 642 C ASN A 42 23.412 -25.223 -18.662 1.00 13.35 C ATOM 643 O ASN A 42 22.844 -25.063 -19.742 1.00 75.35 O ATOM 644 CB ASN A 42 22.538 -26.710 -16.849 1.00 61.15 C ATOM 645 CG ASN A 42 21.731 -27.605 -17.770 1.00 42.34 C ATOM 646 OD1 ASN A 42 21.493 -27.267 -18.930 1.00 61.12 O ATOM 647 ND2 ASN A 42 21.306 -28.753 -17.256 1.00 53.23 N ATOM 0 H ASN A 42 20.692 -25.256 -18.186 1.00 74.24 H new ATOM 0 HA ASN A 42 23.135 -24.658 -16.619 1.00 12.41 H new ATOM 0 HB2 ASN A 42 23.545 -27.113 -16.746 1.00 61.15 H new ATOM 0 HB3 ASN A 42 22.089 -26.716 -15.856 1.00 61.15 H new ATOM 0 HD21 ASN A 42 20.758 -29.396 -17.828 1.00 53.23 H new ATOM 0 HD22 ASN A 42 21.527 -28.992 -16.289 1.00 53.23 H new ATOM 654 N THR A 43 24.729 -25.363 -18.552 1.00 22.44 N ATOM 655 CA THR A 43 25.601 -25.337 -19.719 1.00 53.33 C ATOM 656 C THR A 43 26.390 -26.635 -19.846 1.00 1.40 C ATOM 657 O THR A 43 26.428 -27.442 -18.918 1.00 22.34 O ATOM 658 CB THR A 43 26.586 -24.154 -19.658 1.00 73.03 C ATOM 659 OG1 THR A 43 27.524 -24.352 -18.595 1.00 14.15 O ATOM 660 CG2 THR A 43 25.844 -22.842 -19.450 1.00 30.33 C ATOM 0 H THR A 43 25.215 -25.496 -17.665 1.00 22.44 H new ATOM 0 HA THR A 43 24.958 -25.220 -20.591 1.00 53.33 H new ATOM 0 HB THR A 43 27.119 -24.104 -20.607 1.00 73.03 H new ATOM 0 HG1 THR A 43 27.236 -23.846 -17.806 1.00 14.15 H new ATOM 0 HG21 THR A 43 26.560 -22.021 -19.410 1.00 30.33 H new ATOM 0 HG22 THR A 43 25.152 -22.680 -20.277 1.00 30.33 H new ATOM 0 HG23 THR A 43 25.287 -22.883 -18.514 1.00 30.33 H new ATOM 668 N ASP A 44 27.019 -26.829 -21.000 1.00 4.43 N ATOM 669 CA ASP A 44 27.810 -28.029 -21.247 1.00 42.40 C ATOM 670 C ASP A 44 29.218 -27.878 -20.679 1.00 61.22 C ATOM 671 O ASP A 44 29.864 -28.865 -20.326 1.00 44.24 O ATOM 672 CB ASP A 44 27.880 -28.319 -22.747 1.00 42.10 C ATOM 673 CG ASP A 44 28.222 -29.766 -23.041 1.00 63.33 C ATOM 674 OD1 ASP A 44 27.546 -30.659 -22.490 1.00 21.25 O ATOM 675 OD2 ASP A 44 29.167 -30.006 -23.823 1.00 32.13 O ATOM 0 H ASP A 44 26.997 -26.171 -21.779 1.00 4.43 H new ATOM 0 HA ASP A 44 27.323 -28.865 -20.745 1.00 42.40 H new ATOM 0 HB2 ASP A 44 26.922 -28.074 -23.207 1.00 42.10 H new ATOM 0 HB3 ASP A 44 28.628 -27.672 -23.205 1.00 42.10 H new ATOM 680 N ARG A 45 29.687 -26.638 -20.595 1.00 3.40 N ATOM 681 CA ARG A 45 31.019 -26.358 -20.072 1.00 64.44 C ATOM 682 C ARG A 45 31.149 -26.838 -18.630 1.00 30.33 C ATOM 683 O ARG A 45 32.154 -27.440 -18.253 1.00 11.54 O ATOM 684 CB ARG A 45 31.318 -24.860 -20.151 1.00 73.14 C ATOM 685 CG ARG A 45 31.490 -24.348 -21.572 1.00 2.41 C ATOM 686 CD ARG A 45 32.859 -24.703 -22.130 1.00 63.51 C ATOM 687 NE ARG A 45 32.889 -24.640 -23.589 1.00 32.41 N ATOM 688 CZ ARG A 45 32.959 -23.504 -24.274 1.00 72.51 C ATOM 689 NH1 ARG A 45 33.007 -22.343 -23.636 1.00 35.31 N ATOM 690 NH2 ARG A 45 32.982 -23.529 -25.601 1.00 14.24 N ATOM 0 H ARG A 45 29.164 -25.811 -20.882 1.00 3.40 H new ATOM 0 HA ARG A 45 31.742 -26.898 -20.683 1.00 64.44 H new ATOM 0 HB2 ARG A 45 30.508 -24.311 -19.671 1.00 73.14 H new ATOM 0 HB3 ARG A 45 32.225 -24.649 -19.585 1.00 73.14 H new ATOM 0 HG2 ARG A 45 30.715 -24.773 -22.209 1.00 2.41 H new ATOM 0 HG3 ARG A 45 31.359 -23.266 -21.589 1.00 2.41 H new ATOM 0 HD2 ARG A 45 33.605 -24.020 -21.722 1.00 63.51 H new ATOM 0 HD3 ARG A 45 33.134 -25.706 -21.805 1.00 63.51 H new ATOM 0 HE ARG A 45 32.854 -25.516 -24.110 1.00 32.41 H new ATOM 0 HH11 ARG A 45 32.990 -22.320 -22.616 1.00 35.31 H new ATOM 0 HH12 ARG A 45 33.061 -21.472 -24.165 1.00 35.31 H new ATOM 0 HH21 ARG A 45 32.946 -24.421 -26.095 1.00 14.24 H new ATOM 0 HH22 ARG A 45 33.036 -22.657 -26.127 1.00 14.24 H new ATOM 704 N GLY A 46 30.124 -26.567 -17.827 1.00 23.32 N ATOM 705 CA GLY A 46 30.144 -26.978 -16.435 1.00 12.41 C ATOM 706 C GLY A 46 29.777 -25.849 -15.492 1.00 54.34 C ATOM 707 O GLY A 46 30.352 -25.720 -14.411 1.00 53.20 O ATOM 0 H GLY A 46 29.281 -26.071 -18.115 1.00 23.32 H new ATOM 0 HA2 GLY A 46 29.449 -27.806 -16.294 1.00 12.41 H new ATOM 0 HA3 GLY A 46 31.137 -27.349 -16.183 1.00 12.41 H new ATOM 711 N THR A 47 28.816 -25.026 -15.903 1.00 2.04 N ATOM 712 CA THR A 47 28.375 -23.900 -15.089 1.00 32.42 C ATOM 713 C THR A 47 26.879 -23.658 -15.251 1.00 35.22 C ATOM 714 O THR A 47 26.317 -23.874 -16.325 1.00 20.21 O ATOM 715 CB THR A 47 29.135 -22.611 -15.454 1.00 35.11 C ATOM 716 OG1 THR A 47 29.413 -22.587 -16.858 1.00 75.34 O ATOM 717 CG2 THR A 47 30.436 -22.510 -14.672 1.00 72.14 C ATOM 0 H THR A 47 28.329 -25.119 -16.794 1.00 2.04 H new ATOM 0 HA THR A 47 28.589 -24.157 -14.051 1.00 32.42 H new ATOM 0 HB THR A 47 28.507 -21.759 -15.194 1.00 35.11 H new ATOM 0 HG1 THR A 47 29.895 -21.764 -17.082 1.00 75.34 H new ATOM 0 HG21 THR A 47 30.955 -21.592 -14.947 1.00 72.14 H new ATOM 0 HG22 THR A 47 30.219 -22.498 -13.604 1.00 72.14 H new ATOM 0 HG23 THR A 47 31.068 -23.367 -14.904 1.00 72.14 H new ATOM 725 N VAL A 48 26.237 -23.207 -14.177 1.00 60.33 N ATOM 726 CA VAL A 48 24.805 -22.934 -14.201 1.00 41.32 C ATOM 727 C VAL A 48 24.530 -21.473 -14.541 1.00 64.22 C ATOM 728 O VAL A 48 25.058 -20.567 -13.898 1.00 3.32 O ATOM 729 CB VAL A 48 24.147 -23.267 -12.849 1.00 24.10 C ATOM 730 CG1 VAL A 48 22.660 -22.949 -12.885 1.00 44.14 C ATOM 731 CG2 VAL A 48 24.380 -24.727 -12.489 1.00 51.14 C ATOM 0 H VAL A 48 26.686 -23.023 -13.280 1.00 60.33 H new ATOM 0 HA VAL A 48 24.374 -23.572 -14.973 1.00 41.32 H new ATOM 0 HB VAL A 48 24.607 -22.648 -12.079 1.00 24.10 H new ATOM 0 HG11 VAL A 48 22.213 -23.191 -11.921 1.00 44.14 H new ATOM 0 HG12 VAL A 48 22.520 -21.889 -13.094 1.00 44.14 H new ATOM 0 HG13 VAL A 48 22.180 -23.539 -13.666 1.00 44.14 H new ATOM 0 HG21 VAL A 48 23.908 -24.945 -11.531 1.00 51.14 H new ATOM 0 HG22 VAL A 48 23.948 -25.365 -13.260 1.00 51.14 H new ATOM 0 HG23 VAL A 48 25.451 -24.918 -12.418 1.00 51.14 H new ATOM 741 N GLN A 49 23.701 -21.254 -15.556 1.00 14.41 N ATOM 742 CA GLN A 49 23.356 -19.902 -15.981 1.00 72.24 C ATOM 743 C GLN A 49 21.928 -19.552 -15.576 1.00 51.52 C ATOM 744 O GLN A 49 20.967 -20.082 -16.131 1.00 55.43 O ATOM 745 CB GLN A 49 23.517 -19.765 -17.496 1.00 71.14 C ATOM 746 CG GLN A 49 24.965 -19.785 -17.958 1.00 40.34 C ATOM 747 CD GLN A 49 25.130 -19.289 -19.381 1.00 43.43 C ATOM 748 OE1 GLN A 49 24.149 -19.071 -20.093 1.00 4.40 O ATOM 749 NE2 GLN A 49 26.376 -19.107 -19.804 1.00 51.13 N ATOM 0 H GLN A 49 23.256 -21.994 -16.099 1.00 14.41 H new ATOM 0 HA GLN A 49 24.035 -19.208 -15.486 1.00 72.24 H new ATOM 0 HB2 GLN A 49 22.977 -20.576 -17.985 1.00 71.14 H new ATOM 0 HB3 GLN A 49 23.054 -18.833 -17.819 1.00 71.14 H new ATOM 0 HG2 GLN A 49 25.564 -19.166 -17.290 1.00 40.34 H new ATOM 0 HG3 GLN A 49 25.352 -20.801 -17.884 1.00 40.34 H new ATOM 0 HE21 GLN A 49 27.160 -19.300 -19.180 1.00 51.13 H new ATOM 0 HE22 GLN A 49 26.549 -18.774 -20.752 1.00 51.13 H new ATOM 758 N GLY A 50 21.797 -18.654 -14.604 1.00 22.34 N ATOM 759 CA GLY A 50 20.483 -18.249 -14.140 1.00 41.32 C ATOM 760 C GLY A 50 20.232 -16.767 -14.334 1.00 51.52 C ATOM 761 O GLY A 50 21.069 -15.937 -13.978 1.00 33.51 O ATOM 0 H GLY A 50 22.578 -18.200 -14.130 1.00 22.34 H new ATOM 0 HA2 GLY A 50 19.721 -18.817 -14.675 1.00 41.32 H new ATOM 0 HA3 GLY A 50 20.382 -18.496 -13.083 1.00 41.32 H new ATOM 765 N GLN A 51 19.077 -16.433 -14.902 1.00 44.11 N ATOM 766 CA GLN A 51 18.720 -15.040 -15.145 1.00 24.21 C ATOM 767 C GLN A 51 17.405 -14.688 -14.459 1.00 12.13 C ATOM 768 O GLN A 51 16.361 -15.268 -14.760 1.00 14.05 O ATOM 769 CB GLN A 51 18.613 -14.774 -16.647 1.00 50.33 C ATOM 770 CG GLN A 51 18.759 -13.307 -17.017 1.00 45.50 C ATOM 771 CD GLN A 51 18.721 -13.075 -18.515 1.00 33.32 C ATOM 772 OE1 GLN A 51 17.918 -12.285 -19.012 1.00 60.00 O ATOM 773 NE2 GLN A 51 19.590 -13.765 -19.243 1.00 65.42 N ATOM 0 H GLN A 51 18.373 -17.108 -15.202 1.00 44.11 H new ATOM 0 HA GLN A 51 19.506 -14.411 -14.727 1.00 24.21 H new ATOM 0 HB2 GLN A 51 19.381 -15.349 -17.165 1.00 50.33 H new ATOM 0 HB3 GLN A 51 17.649 -15.136 -17.004 1.00 50.33 H new ATOM 0 HG2 GLN A 51 17.960 -12.736 -16.545 1.00 45.50 H new ATOM 0 HG3 GLN A 51 19.700 -12.928 -16.618 1.00 45.50 H new ATOM 0 HE21 GLN A 51 20.238 -14.409 -18.789 1.00 65.42 H new ATOM 0 HE22 GLN A 51 19.610 -13.651 -20.256 1.00 65.42 H new ATOM 782 N LEU A 52 17.462 -13.735 -13.535 1.00 52.43 N ATOM 783 CA LEU A 52 16.274 -13.305 -12.805 1.00 42.42 C ATOM 784 C LEU A 52 15.758 -11.973 -13.342 1.00 34.45 C ATOM 785 O LEU A 52 16.444 -11.293 -14.103 1.00 51.41 O ATOM 786 CB LEU A 52 16.586 -13.180 -11.313 1.00 2.31 C ATOM 787 CG LEU A 52 17.294 -11.895 -10.880 1.00 55.24 C ATOM 788 CD1 LEU A 52 16.279 -10.841 -10.465 1.00 31.04 C ATOM 789 CD2 LEU A 52 18.267 -12.178 -9.745 1.00 72.03 C ATOM 0 H LEU A 52 18.318 -13.245 -13.274 1.00 52.43 H new ATOM 0 HA LEU A 52 15.498 -14.058 -12.946 1.00 42.42 H new ATOM 0 HB2 LEU A 52 15.651 -13.260 -10.759 1.00 2.31 H new ATOM 0 HB3 LEU A 52 17.204 -14.028 -11.019 1.00 2.31 H new ATOM 0 HG LEU A 52 17.860 -11.511 -11.729 1.00 55.24 H new ATOM 0 HD11 LEU A 52 16.801 -9.934 -10.160 1.00 31.04 H new ATOM 0 HD12 LEU A 52 15.623 -10.617 -11.306 1.00 31.04 H new ATOM 0 HD13 LEU A 52 15.685 -11.216 -9.631 1.00 31.04 H new ATOM 0 HD21 LEU A 52 18.761 -11.252 -9.450 1.00 72.03 H new ATOM 0 HD22 LEU A 52 17.723 -12.586 -8.893 1.00 72.03 H new ATOM 0 HD23 LEU A 52 19.014 -12.898 -10.078 1.00 72.03 H new ATOM 801 N GLN A 53 14.545 -11.609 -12.937 1.00 3.31 N ATOM 802 CA GLN A 53 13.938 -10.358 -13.376 1.00 40.11 C ATOM 803 C GLN A 53 12.983 -9.816 -12.318 1.00 53.32 C ATOM 804 O GLN A 53 11.994 -10.460 -11.972 1.00 34.02 O ATOM 805 CB GLN A 53 13.193 -10.564 -14.696 1.00 34.22 C ATOM 806 CG GLN A 53 13.206 -9.342 -15.600 1.00 22.13 C ATOM 807 CD GLN A 53 14.374 -9.344 -16.566 1.00 5.42 C ATOM 808 OE1 GLN A 53 15.405 -9.968 -16.311 1.00 73.21 O ATOM 809 NE2 GLN A 53 14.220 -8.643 -17.683 1.00 1.30 N ATOM 0 H GLN A 53 13.964 -12.162 -12.307 1.00 3.31 H new ATOM 0 HA GLN A 53 14.735 -9.630 -13.527 1.00 40.11 H new ATOM 0 HB2 GLN A 53 13.640 -11.404 -15.228 1.00 34.22 H new ATOM 0 HB3 GLN A 53 12.159 -10.836 -14.482 1.00 34.22 H new ATOM 0 HG2 GLN A 53 12.274 -9.301 -16.163 1.00 22.13 H new ATOM 0 HG3 GLN A 53 13.248 -8.442 -14.987 1.00 22.13 H new ATOM 0 HE21 GLN A 53 13.349 -8.141 -17.854 1.00 1.30 H new ATOM 0 HE22 GLN A 53 14.973 -8.607 -18.370 1.00 1.30 H new ATOM 818 N GLY A 54 13.286 -8.626 -11.808 1.00 10.13 N ATOM 819 CA GLY A 54 12.445 -8.017 -10.794 1.00 33.31 C ATOM 820 C GLY A 54 12.918 -6.631 -10.404 1.00 33.14 C ATOM 821 O GLY A 54 13.876 -6.098 -10.963 1.00 62.44 O ATOM 0 H GLY A 54 14.099 -8.073 -12.079 1.00 10.13 H new ATOM 0 HA2 GLY A 54 11.421 -7.958 -11.163 1.00 33.31 H new ATOM 0 HA3 GLY A 54 12.428 -8.654 -9.910 1.00 33.31 H new ATOM 825 N PRO A 55 12.235 -6.023 -9.422 1.00 21.31 N ATOM 826 CA PRO A 55 12.572 -4.682 -8.936 1.00 44.13 C ATOM 827 C PRO A 55 13.890 -4.657 -8.169 1.00 32.52 C ATOM 828 O PRO A 55 14.255 -5.633 -7.513 1.00 34.44 O ATOM 829 CB PRO A 55 11.406 -4.337 -8.007 1.00 72.32 C ATOM 830 CG PRO A 55 10.878 -5.656 -7.557 1.00 11.41 C ATOM 831 CD PRO A 55 11.082 -6.599 -8.710 1.00 31.01 C ATOM 0 HA PRO A 55 12.706 -3.974 -9.754 1.00 44.13 H new ATOM 0 HB2 PRO A 55 11.738 -3.734 -7.162 1.00 72.32 H new ATOM 0 HB3 PRO A 55 10.641 -3.761 -8.528 1.00 72.32 H new ATOM 0 HG2 PRO A 55 11.405 -6.005 -6.669 1.00 11.41 H new ATOM 0 HG3 PRO A 55 9.823 -5.585 -7.293 1.00 11.41 H new ATOM 0 HD2 PRO A 55 11.287 -7.613 -8.368 1.00 31.01 H new ATOM 0 HD3 PRO A 55 10.200 -6.650 -9.348 1.00 31.01 H new ATOM 839 N ILE A 56 14.599 -3.537 -8.255 1.00 72.12 N ATOM 840 CA ILE A 56 15.875 -3.386 -7.567 1.00 71.22 C ATOM 841 C ILE A 56 15.728 -3.651 -6.073 1.00 2.14 C ATOM 842 O ILE A 56 16.684 -4.045 -5.405 1.00 4.53 O ATOM 843 CB ILE A 56 16.462 -1.977 -7.772 1.00 70.24 C ATOM 844 CG1 ILE A 56 17.896 -1.917 -7.243 1.00 44.33 C ATOM 845 CG2 ILE A 56 15.593 -0.936 -7.083 1.00 40.22 C ATOM 846 CD1 ILE A 56 18.646 -0.674 -7.670 1.00 13.23 C ATOM 0 H ILE A 56 14.311 -2.720 -8.794 1.00 72.12 H new ATOM 0 HA ILE A 56 16.555 -4.120 -7.999 1.00 71.22 H new ATOM 0 HB ILE A 56 16.479 -1.758 -8.840 1.00 70.24 H new ATOM 0 HG12 ILE A 56 17.875 -1.963 -6.154 1.00 44.33 H new ATOM 0 HG13 ILE A 56 18.439 -2.796 -7.589 1.00 44.33 H new ATOM 0 HG21 ILE A 56 16.021 0.055 -7.237 1.00 40.22 H new ATOM 0 HG22 ILE A 56 14.587 -0.966 -7.503 1.00 40.22 H new ATOM 0 HG23 ILE A 56 15.547 -1.149 -6.015 1.00 40.22 H new ATOM 0 HD11 ILE A 56 19.655 -0.699 -7.259 1.00 13.23 H new ATOM 0 HD12 ILE A 56 18.698 -0.636 -8.758 1.00 13.23 H new ATOM 0 HD13 ILE A 56 18.125 0.210 -7.301 1.00 13.23 H new ATOM 858 N SER A 57 14.524 -3.434 -5.554 1.00 53.31 N ATOM 859 CA SER A 57 14.252 -3.647 -4.137 1.00 54.15 C ATOM 860 C SER A 57 14.289 -5.133 -3.795 1.00 22.13 C ATOM 861 O SER A 57 14.570 -5.514 -2.658 1.00 14.52 O ATOM 862 CB SER A 57 12.889 -3.060 -3.764 1.00 72.24 C ATOM 863 OG SER A 57 12.684 -3.097 -2.363 1.00 21.34 O ATOM 0 H SER A 57 13.721 -3.111 -6.093 1.00 53.31 H new ATOM 0 HA SER A 57 15.027 -3.140 -3.563 1.00 54.15 H new ATOM 0 HB2 SER A 57 12.824 -2.031 -4.117 1.00 72.24 H new ATOM 0 HB3 SER A 57 12.099 -3.620 -4.265 1.00 72.24 H new ATOM 0 HG SER A 57 11.807 -2.715 -2.151 1.00 21.34 H new ATOM 869 N LYS A 58 14.004 -5.970 -4.787 1.00 5.13 N ATOM 870 CA LYS A 58 14.006 -7.415 -4.594 1.00 22.15 C ATOM 871 C LYS A 58 15.289 -8.035 -5.139 1.00 33.44 C ATOM 872 O LYS A 58 15.744 -9.071 -4.653 1.00 44.12 O ATOM 873 CB LYS A 58 12.791 -8.044 -5.280 1.00 44.41 C ATOM 874 CG LYS A 58 11.491 -7.838 -4.523 1.00 31.23 C ATOM 875 CD LYS A 58 11.521 -8.524 -3.167 1.00 73.43 C ATOM 876 CE LYS A 58 10.119 -8.868 -2.685 1.00 45.25 C ATOM 877 NZ LYS A 58 10.088 -9.145 -1.223 1.00 2.24 N ATOM 0 H LYS A 58 13.769 -5.672 -5.734 1.00 5.13 H new ATOM 0 HA LYS A 58 13.954 -7.613 -3.523 1.00 22.15 H new ATOM 0 HB2 LYS A 58 12.690 -7.622 -6.280 1.00 44.41 H new ATOM 0 HB3 LYS A 58 12.966 -9.113 -5.401 1.00 44.41 H new ATOM 0 HG2 LYS A 58 11.312 -6.771 -4.388 1.00 31.23 H new ATOM 0 HG3 LYS A 58 10.661 -8.228 -5.111 1.00 31.23 H new ATOM 0 HD2 LYS A 58 12.118 -9.434 -3.231 1.00 73.43 H new ATOM 0 HD3 LYS A 58 12.008 -7.874 -2.440 1.00 73.43 H new ATOM 0 HE2 LYS A 58 9.444 -8.043 -2.913 1.00 45.25 H new ATOM 0 HE3 LYS A 58 9.752 -9.739 -3.228 1.00 45.25 H new ATOM 0 HZ1 LYS A 58 9.116 -9.375 -0.934 1.00 2.24 H new ATOM 0 HZ2 LYS A 58 10.712 -9.949 -1.009 1.00 2.24 H new ATOM 0 HZ3 LYS A 58 10.414 -8.305 -0.704 1.00 2.24 H new ATOM 891 N VAL A 59 15.868 -7.395 -6.149 1.00 55.23 N ATOM 892 CA VAL A 59 17.099 -7.882 -6.758 1.00 62.34 C ATOM 893 C VAL A 59 18.305 -7.581 -5.876 1.00 44.43 C ATOM 894 O VAL A 59 19.307 -8.296 -5.911 1.00 41.41 O ATOM 895 CB VAL A 59 17.324 -7.257 -8.148 1.00 10.10 C ATOM 896 CG1 VAL A 59 18.618 -7.769 -8.761 1.00 62.33 C ATOM 897 CG2 VAL A 59 16.141 -7.546 -9.060 1.00 21.34 C ATOM 0 H VAL A 59 15.504 -6.537 -6.563 1.00 55.23 H new ATOM 0 HA VAL A 59 16.992 -8.961 -6.867 1.00 62.34 H new ATOM 0 HB VAL A 59 17.408 -6.176 -8.032 1.00 10.10 H new ATOM 0 HG11 VAL A 59 18.760 -7.316 -9.742 1.00 62.33 H new ATOM 0 HG12 VAL A 59 19.456 -7.505 -8.115 1.00 62.33 H new ATOM 0 HG13 VAL A 59 18.567 -8.853 -8.865 1.00 62.33 H new ATOM 0 HG21 VAL A 59 16.317 -7.097 -10.038 1.00 21.34 H new ATOM 0 HG22 VAL A 59 16.022 -8.624 -9.172 1.00 21.34 H new ATOM 0 HG23 VAL A 59 15.235 -7.124 -8.625 1.00 21.34 H new ATOM 907 N ARG A 60 18.202 -6.517 -5.086 1.00 22.44 N ATOM 908 CA ARG A 60 19.285 -6.120 -4.194 1.00 62.30 C ATOM 909 C ARG A 60 19.639 -7.250 -3.232 1.00 25.41 C ATOM 910 O ARG A 60 20.771 -7.341 -2.754 1.00 34.14 O ATOM 911 CB ARG A 60 18.893 -4.869 -3.406 1.00 33.31 C ATOM 912 CG ARG A 60 19.291 -3.570 -4.087 1.00 25.31 C ATOM 913 CD ARG A 60 20.784 -3.310 -3.960 1.00 64.42 C ATOM 914 NE ARG A 60 21.165 -2.018 -4.523 1.00 53.34 N ATOM 915 CZ ARG A 60 20.914 -0.856 -3.931 1.00 4.54 C ATOM 916 NH1 ARG A 60 20.288 -0.825 -2.763 1.00 15.33 N ATOM 917 NH2 ARG A 60 21.292 0.279 -4.506 1.00 31.00 N ATOM 0 H ARG A 60 17.380 -5.915 -5.046 1.00 22.44 H new ATOM 0 HA ARG A 60 20.161 -5.897 -4.804 1.00 62.30 H new ATOM 0 HB2 ARG A 60 17.814 -4.872 -3.250 1.00 33.31 H new ATOM 0 HB3 ARG A 60 19.358 -4.910 -2.421 1.00 33.31 H new ATOM 0 HG2 ARG A 60 19.016 -3.611 -5.141 1.00 25.31 H new ATOM 0 HG3 ARG A 60 18.737 -2.742 -3.645 1.00 25.31 H new ATOM 0 HD2 ARG A 60 21.070 -3.346 -2.909 1.00 64.42 H new ATOM 0 HD3 ARG A 60 21.334 -4.103 -4.467 1.00 64.42 H new ATOM 0 HE ARG A 60 21.650 -2.007 -5.420 1.00 53.34 H new ATOM 0 HH11 ARG A 60 19.998 -1.695 -2.317 1.00 15.33 H new ATOM 0 HH12 ARG A 60 20.097 0.069 -2.311 1.00 15.33 H new ATOM 0 HH21 ARG A 60 21.776 0.259 -5.404 1.00 31.00 H new ATOM 0 HH22 ARG A 60 21.099 1.171 -4.050 1.00 31.00 H new ATOM 931 N HIS A 61 18.665 -8.110 -2.952 1.00 13.30 N ATOM 932 CA HIS A 61 18.874 -9.234 -2.047 1.00 35.32 C ATOM 933 C HIS A 61 19.387 -10.454 -2.806 1.00 33.44 C ATOM 934 O HIS A 61 20.280 -11.158 -2.336 1.00 63.41 O ATOM 935 CB HIS A 61 17.573 -9.580 -1.321 1.00 21.40 C ATOM 936 CG HIS A 61 17.784 -10.138 0.053 1.00 1.31 C ATOM 937 ND1 HIS A 61 18.745 -9.661 0.919 1.00 1.33 N ATOM 938 CD2 HIS A 61 17.150 -11.137 0.710 1.00 10.11 C ATOM 939 CE1 HIS A 61 18.694 -10.344 2.049 1.00 2.51 C ATOM 940 NE2 HIS A 61 17.734 -11.245 1.948 1.00 22.12 N ATOM 0 H HIS A 61 17.723 -8.050 -3.339 1.00 13.30 H new ATOM 0 HA HIS A 61 19.625 -8.943 -1.312 1.00 35.32 H new ATOM 0 HB2 HIS A 61 16.957 -8.684 -1.250 1.00 21.40 H new ATOM 0 HB3 HIS A 61 17.016 -10.303 -1.916 1.00 21.40 H new ATOM 0 HD1 HIS A 61 19.394 -8.900 0.719 1.00 1.33 H new ATOM 0 HD2 HIS A 61 16.336 -11.737 0.331 1.00 10.11 H new ATOM 0 HE1 HIS A 61 19.329 -10.191 2.909 1.00 2.51 H new ATOM 948 N MET A 62 18.815 -10.699 -3.980 1.00 53.51 N ATOM 949 CA MET A 62 19.215 -11.834 -4.803 1.00 42.45 C ATOM 950 C MET A 62 20.726 -11.846 -5.014 1.00 31.31 C ATOM 951 O MET A 62 21.369 -12.888 -4.890 1.00 3.02 O ATOM 952 CB MET A 62 18.501 -11.788 -6.155 1.00 55.44 C ATOM 953 CG MET A 62 17.321 -12.742 -6.252 1.00 42.22 C ATOM 954 SD MET A 62 17.828 -14.441 -6.578 1.00 72.23 S ATOM 955 CE MET A 62 16.241 -15.272 -6.584 1.00 22.45 C ATOM 0 H MET A 62 18.073 -10.127 -4.383 1.00 53.51 H new ATOM 0 HA MET A 62 18.931 -12.748 -4.281 1.00 42.45 H new ATOM 0 HB2 MET A 62 18.152 -10.772 -6.338 1.00 55.44 H new ATOM 0 HB3 MET A 62 19.216 -12.026 -6.943 1.00 55.44 H new ATOM 0 HG2 MET A 62 16.754 -12.708 -5.322 1.00 42.22 H new ATOM 0 HG3 MET A 62 16.652 -12.408 -7.045 1.00 42.22 H new ATOM 0 HE1 MET A 62 16.200 -15.984 -5.760 1.00 22.45 H new ATOM 0 HE2 MET A 62 15.445 -14.537 -6.468 1.00 22.45 H new ATOM 0 HE3 MET A 62 16.111 -15.801 -7.528 1.00 22.45 H new ATOM 965 N GLN A 63 21.284 -10.683 -5.333 1.00 63.20 N ATOM 966 CA GLN A 63 22.719 -10.563 -5.562 1.00 4.45 C ATOM 967 C GLN A 63 23.505 -10.984 -4.324 1.00 70.32 C ATOM 968 O GLN A 63 24.535 -11.649 -4.429 1.00 31.41 O ATOM 969 CB GLN A 63 23.077 -9.125 -5.942 1.00 45.11 C ATOM 970 CG GLN A 63 22.592 -8.091 -4.939 1.00 74.11 C ATOM 971 CD GLN A 63 22.855 -6.669 -5.393 1.00 51.20 C ATOM 972 OE1 GLN A 63 22.548 -6.300 -6.527 1.00 51.00 O ATOM 973 NE2 GLN A 63 23.426 -5.861 -4.508 1.00 3.23 N ATOM 0 H GLN A 63 20.765 -9.811 -5.439 1.00 63.20 H new ATOM 0 HA GLN A 63 22.987 -11.227 -6.384 1.00 4.45 H new ATOM 0 HB2 GLN A 63 24.159 -9.043 -6.041 1.00 45.11 H new ATOM 0 HB3 GLN A 63 22.650 -8.899 -6.919 1.00 45.11 H new ATOM 0 HG2 GLN A 63 21.523 -8.224 -4.774 1.00 74.11 H new ATOM 0 HG3 GLN A 63 23.085 -8.260 -3.982 1.00 74.11 H new ATOM 0 HE21 GLN A 63 23.664 -6.209 -3.579 1.00 3.23 H new ATOM 0 HE22 GLN A 63 23.627 -4.892 -4.757 1.00 3.23 H new ATOM 982 N GLU A 64 23.011 -10.592 -3.154 1.00 24.23 N ATOM 983 CA GLU A 64 23.669 -10.929 -1.897 1.00 20.34 C ATOM 984 C GLU A 64 23.039 -12.169 -1.269 1.00 23.34 C ATOM 985 O GLU A 64 23.080 -12.350 -0.052 1.00 20.24 O ATOM 986 CB GLU A 64 23.588 -9.753 -0.921 1.00 73.04 C ATOM 987 CG GLU A 64 22.169 -9.407 -0.502 1.00 51.22 C ATOM 988 CD GLU A 64 22.122 -8.322 0.556 1.00 34.24 C ATOM 989 OE1 GLU A 64 22.950 -8.369 1.490 1.00 50.31 O ATOM 990 OE2 GLU A 64 21.257 -7.428 0.452 1.00 52.42 O ATOM 0 H GLU A 64 22.159 -10.042 -3.050 1.00 24.23 H new ATOM 0 HA GLU A 64 24.716 -11.143 -2.111 1.00 20.34 H new ATOM 0 HB2 GLU A 64 24.173 -9.988 -0.032 1.00 73.04 H new ATOM 0 HB3 GLU A 64 24.046 -8.877 -1.381 1.00 73.04 H new ATOM 0 HG2 GLU A 64 21.605 -9.082 -1.376 1.00 51.22 H new ATOM 0 HG3 GLU A 64 21.678 -10.302 -0.121 1.00 51.22 H new ATOM 997 N TRP A 65 22.457 -13.019 -2.107 1.00 45.02 N ATOM 998 CA TRP A 65 21.818 -14.242 -1.635 1.00 2.13 C ATOM 999 C TRP A 65 22.312 -15.452 -2.419 1.00 61.41 C ATOM 1000 O TRP A 65 22.523 -16.527 -1.855 1.00 1.44 O ATOM 1001 CB TRP A 65 20.298 -14.126 -1.755 1.00 72.30 C ATOM 1002 CG TRP A 65 19.562 -15.247 -1.085 1.00 0.24 C ATOM 1003 CD1 TRP A 65 19.445 -16.533 -1.530 1.00 12.51 C ATOM 1004 CD2 TRP A 65 18.840 -15.180 0.150 1.00 23.31 C ATOM 1005 NE1 TRP A 65 18.694 -17.269 -0.646 1.00 74.42 N ATOM 1006 CE2 TRP A 65 18.312 -16.463 0.393 1.00 34.22 C ATOM 1007 CE3 TRP A 65 18.591 -14.163 1.075 1.00 0.10 C ATOM 1008 CZ2 TRP A 65 17.549 -16.752 1.521 1.00 13.05 C ATOM 1009 CZ3 TRP A 65 17.833 -14.451 2.194 1.00 24.12 C ATOM 1010 CH2 TRP A 65 17.320 -15.737 2.410 1.00 1.13 C ATOM 0 H TRP A 65 22.414 -12.884 -3.117 1.00 45.02 H new ATOM 0 HA TRP A 65 22.083 -14.380 -0.587 1.00 2.13 H new ATOM 0 HB2 TRP A 65 19.978 -13.179 -1.320 1.00 72.30 H new ATOM 0 HB3 TRP A 65 20.025 -14.101 -2.810 1.00 72.30 H new ATOM 0 HD1 TRP A 65 19.879 -16.915 -2.442 1.00 12.51 H new ATOM 0 HE1 TRP A 65 18.459 -18.256 -0.747 1.00 74.42 H new ATOM 0 HE3 TRP A 65 18.984 -13.169 0.918 1.00 0.10 H new ATOM 0 HZ2 TRP A 65 17.152 -17.742 1.689 1.00 13.05 H new ATOM 0 HZ3 TRP A 65 17.633 -13.672 2.914 1.00 24.12 H new ATOM 0 HH2 TRP A 65 16.732 -15.931 3.295 1.00 1.13 H new ATOM 1021 N LEU A 66 22.495 -15.273 -3.723 1.00 1.34 N ATOM 1022 CA LEU A 66 22.965 -16.351 -4.585 1.00 61.30 C ATOM 1023 C LEU A 66 24.489 -16.420 -4.590 1.00 31.02 C ATOM 1024 O LEU A 66 25.076 -17.347 -5.147 1.00 34.13 O ATOM 1025 CB LEU A 66 22.448 -16.153 -6.011 1.00 33.02 C ATOM 1026 CG LEU A 66 21.009 -16.600 -6.271 1.00 15.42 C ATOM 1027 CD1 LEU A 66 20.562 -16.179 -7.662 1.00 41.33 C ATOM 1028 CD2 LEU A 66 20.879 -18.106 -6.100 1.00 35.21 C ATOM 0 H LEU A 66 22.325 -14.391 -4.206 1.00 1.34 H new ATOM 0 HA LEU A 66 22.578 -17.291 -4.192 1.00 61.30 H new ATOM 0 HB2 LEU A 66 22.530 -15.096 -6.262 1.00 33.02 H new ATOM 0 HB3 LEU A 66 23.104 -16.694 -6.693 1.00 33.02 H new ATOM 0 HG LEU A 66 20.361 -16.114 -5.541 1.00 15.42 H new ATOM 0 HD11 LEU A 66 19.536 -16.506 -7.829 1.00 41.33 H new ATOM 0 HD12 LEU A 66 20.616 -15.094 -7.749 1.00 41.33 H new ATOM 0 HD13 LEU A 66 21.214 -16.635 -8.407 1.00 41.33 H new ATOM 0 HD21 LEU A 66 19.848 -18.406 -6.289 1.00 35.21 H new ATOM 0 HD22 LEU A 66 21.539 -18.611 -6.806 1.00 35.21 H new ATOM 0 HD23 LEU A 66 21.157 -18.382 -5.083 1.00 35.21 H new ATOM 1040 N GLU A 67 25.123 -15.433 -3.964 1.00 34.33 N ATOM 1041 CA GLU A 67 26.578 -15.384 -3.895 1.00 44.52 C ATOM 1042 C GLU A 67 27.079 -15.921 -2.557 1.00 52.53 C ATOM 1043 O GLU A 67 28.214 -16.385 -2.446 1.00 41.24 O ATOM 1044 CB GLU A 67 27.072 -13.950 -4.098 1.00 51.54 C ATOM 1045 CG GLU A 67 26.831 -13.047 -2.900 1.00 33.21 C ATOM 1046 CD GLU A 67 27.390 -11.652 -3.098 1.00 40.23 C ATOM 1047 OE1 GLU A 67 27.676 -11.286 -4.257 1.00 54.34 O ATOM 1048 OE2 GLU A 67 27.542 -10.926 -2.093 1.00 52.24 O ATOM 0 H GLU A 67 24.652 -14.658 -3.498 1.00 34.33 H new ATOM 0 HA GLU A 67 26.975 -16.014 -4.691 1.00 44.52 H new ATOM 0 HB2 GLU A 67 28.139 -13.970 -4.318 1.00 51.54 H new ATOM 0 HB3 GLU A 67 26.575 -13.524 -4.969 1.00 51.54 H new ATOM 0 HG2 GLU A 67 25.760 -12.981 -2.709 1.00 33.21 H new ATOM 0 HG3 GLU A 67 27.285 -13.494 -2.016 1.00 33.21 H new ATOM 1055 N THR A 68 26.223 -15.853 -1.542 1.00 22.41 N ATOM 1056 CA THR A 68 26.577 -16.330 -0.211 1.00 65.42 C ATOM 1057 C THR A 68 25.730 -17.534 0.185 1.00 0.12 C ATOM 1058 O THR A 68 26.236 -18.500 0.758 1.00 54.55 O ATOM 1059 CB THR A 68 26.404 -15.224 0.847 1.00 64.23 C ATOM 1060 OG1 THR A 68 26.471 -15.789 2.161 1.00 14.40 O ATOM 1061 CG2 THR A 68 25.077 -14.504 0.665 1.00 74.43 C ATOM 0 H THR A 68 25.280 -15.472 -1.617 1.00 22.41 H new ATOM 0 HA THR A 68 27.626 -16.624 -0.250 1.00 65.42 H new ATOM 0 HB THR A 68 27.210 -14.502 0.721 1.00 64.23 H new ATOM 0 HG1 THR A 68 26.362 -15.079 2.828 1.00 14.40 H new ATOM 0 HG21 THR A 68 24.977 -13.728 1.423 1.00 74.43 H new ATOM 0 HG22 THR A 68 25.042 -14.050 -0.326 1.00 74.43 H new ATOM 0 HG23 THR A 68 24.259 -15.217 0.766 1.00 74.43 H new ATOM 1069 N ARG A 69 24.439 -17.470 -0.123 1.00 51.12 N ATOM 1070 CA ARG A 69 23.521 -18.555 0.202 1.00 61.13 C ATOM 1071 C ARG A 69 23.352 -19.498 -0.986 1.00 54.22 C ATOM 1072 O ARG A 69 22.900 -19.090 -2.056 1.00 20.44 O ATOM 1073 CB ARG A 69 22.161 -17.993 0.619 1.00 73.32 C ATOM 1074 CG ARG A 69 21.480 -18.797 1.715 1.00 71.04 C ATOM 1075 CD ARG A 69 21.247 -20.238 1.286 1.00 5.54 C ATOM 1076 NE ARG A 69 20.025 -20.790 1.864 1.00 4.05 N ATOM 1077 CZ ARG A 69 19.930 -21.206 3.122 1.00 24.43 C ATOM 1078 NH1 ARG A 69 20.980 -21.133 3.929 1.00 13.15 N ATOM 1079 NH2 ARG A 69 18.784 -21.697 3.575 1.00 33.12 N ATOM 0 H ARG A 69 24.005 -16.678 -0.597 1.00 51.12 H new ATOM 0 HA ARG A 69 23.944 -19.119 1.034 1.00 61.13 H new ATOM 0 HB2 ARG A 69 22.291 -16.966 0.961 1.00 73.32 H new ATOM 0 HB3 ARG A 69 21.509 -17.958 -0.253 1.00 73.32 H new ATOM 0 HG2 ARG A 69 22.094 -18.779 2.616 1.00 71.04 H new ATOM 0 HG3 ARG A 69 20.527 -18.333 1.969 1.00 71.04 H new ATOM 0 HD2 ARG A 69 21.188 -20.288 0.199 1.00 5.54 H new ATOM 0 HD3 ARG A 69 22.098 -20.848 1.587 1.00 5.54 H new ATOM 0 HE ARG A 69 19.199 -20.860 1.269 1.00 4.05 H new ATOM 0 HH11 ARG A 69 21.863 -20.757 3.584 1.00 13.15 H new ATOM 0 HH12 ARG A 69 20.904 -21.453 4.895 1.00 13.15 H new ATOM 0 HH21 ARG A 69 17.975 -21.755 2.957 1.00 33.12 H new ATOM 0 HH22 ARG A 69 18.712 -22.016 4.541 1.00 33.12 H new ATOM 1093 N GLY A 70 23.718 -20.761 -0.790 1.00 12.11 N ATOM 1094 CA GLY A 70 23.599 -21.741 -1.853 1.00 64.33 C ATOM 1095 C GLY A 70 23.476 -23.157 -1.326 1.00 2.04 C ATOM 1096 O GLY A 70 23.936 -23.458 -0.224 1.00 73.20 O ATOM 0 H GLY A 70 24.095 -21.123 0.086 1.00 12.11 H new ATOM 0 HA2 GLY A 70 22.726 -21.507 -2.463 1.00 64.33 H new ATOM 0 HA3 GLY A 70 24.470 -21.674 -2.504 1.00 64.33 H new ATOM 1100 N SER A 71 22.853 -24.028 -2.112 1.00 72.15 N ATOM 1101 CA SER A 71 22.665 -25.419 -1.716 1.00 4.33 C ATOM 1102 C SER A 71 23.990 -26.046 -1.291 1.00 40.24 C ATOM 1103 O SER A 71 25.071 -25.559 -1.623 1.00 1.33 O ATOM 1104 CB SER A 71 22.053 -26.221 -2.866 1.00 25.24 C ATOM 1105 OG SER A 71 22.439 -25.689 -4.121 1.00 13.51 O ATOM 0 H SER A 71 22.469 -23.795 -3.028 1.00 72.15 H new ATOM 0 HA SER A 71 21.983 -25.440 -0.866 1.00 4.33 H new ATOM 0 HB2 SER A 71 22.369 -27.262 -2.796 1.00 25.24 H new ATOM 0 HB3 SER A 71 20.966 -26.211 -2.782 1.00 25.24 H new ATOM 0 HG SER A 71 22.036 -26.220 -4.839 1.00 13.51 H new ATOM 1111 N PRO A 72 23.905 -27.153 -0.540 1.00 24.43 N ATOM 1112 CA PRO A 72 25.087 -27.872 -0.053 1.00 72.35 C ATOM 1113 C PRO A 72 25.841 -28.574 -1.177 1.00 63.43 C ATOM 1114 O PRO A 72 27.052 -28.782 -1.092 1.00 11.34 O ATOM 1115 CB PRO A 72 24.502 -28.898 0.920 1.00 32.33 C ATOM 1116 CG PRO A 72 23.103 -29.110 0.453 1.00 1.50 C ATOM 1117 CD PRO A 72 22.650 -27.790 -0.107 1.00 52.40 C ATOM 0 HA PRO A 72 25.815 -27.200 0.402 1.00 72.35 H new ATOM 0 HB2 PRO A 72 25.070 -29.828 0.903 1.00 32.33 H new ATOM 0 HB3 PRO A 72 24.525 -28.529 1.945 1.00 32.33 H new ATOM 0 HG2 PRO A 72 23.059 -29.892 -0.305 1.00 1.50 H new ATOM 0 HG3 PRO A 72 22.461 -29.427 1.275 1.00 1.50 H new ATOM 0 HD2 PRO A 72 21.959 -27.923 -0.939 1.00 52.40 H new ATOM 0 HD3 PRO A 72 22.134 -27.191 0.643 1.00 52.40 H new ATOM 1125 N LYS A 73 25.119 -28.938 -2.231 1.00 70.44 N ATOM 1126 CA LYS A 73 25.720 -29.616 -3.374 1.00 52.02 C ATOM 1127 C LYS A 73 25.942 -28.643 -4.528 1.00 63.50 C ATOM 1128 O LYS A 73 25.974 -29.043 -5.692 1.00 31.22 O ATOM 1129 CB LYS A 73 24.830 -30.773 -3.833 1.00 34.11 C ATOM 1130 CG LYS A 73 24.578 -31.812 -2.754 1.00 23.02 C ATOM 1131 CD LYS A 73 25.850 -32.562 -2.395 1.00 30.21 C ATOM 1132 CE LYS A 73 25.544 -33.944 -1.839 1.00 33.34 C ATOM 1133 NZ LYS A 73 26.781 -34.746 -1.633 1.00 65.45 N ATOM 0 H LYS A 73 24.116 -28.775 -2.318 1.00 70.44 H new ATOM 0 HA LYS A 73 26.687 -30.011 -3.063 1.00 52.02 H new ATOM 0 HB2 LYS A 73 23.874 -30.373 -4.171 1.00 34.11 H new ATOM 0 HB3 LYS A 73 25.294 -31.258 -4.692 1.00 34.11 H new ATOM 0 HG2 LYS A 73 24.178 -31.325 -1.865 1.00 23.02 H new ATOM 0 HG3 LYS A 73 23.822 -32.519 -3.097 1.00 23.02 H new ATOM 0 HD2 LYS A 73 26.480 -32.656 -3.279 1.00 30.21 H new ATOM 0 HD3 LYS A 73 26.416 -31.990 -1.660 1.00 30.21 H new ATOM 0 HE2 LYS A 73 25.014 -33.845 -0.892 1.00 33.34 H new ATOM 0 HE3 LYS A 73 24.879 -34.471 -2.523 1.00 33.34 H new ATOM 0 HZ1 LYS A 73 26.529 -35.681 -1.253 1.00 65.45 H new ATOM 0 HZ2 LYS A 73 27.274 -34.863 -2.541 1.00 65.45 H new ATOM 0 HZ3 LYS A 73 27.405 -34.256 -0.961 1.00 65.45 H new ATOM 1147 N SER A 74 26.097 -27.365 -4.197 1.00 64.44 N ATOM 1148 CA SER A 74 26.315 -26.336 -5.207 1.00 12.33 C ATOM 1149 C SER A 74 27.442 -25.396 -4.790 1.00 23.10 C ATOM 1150 O SER A 74 27.227 -24.201 -4.586 1.00 53.24 O ATOM 1151 CB SER A 74 25.030 -25.538 -5.437 1.00 72.00 C ATOM 1152 OG SER A 74 25.250 -24.465 -6.336 1.00 72.23 O ATOM 0 H SER A 74 26.076 -27.018 -3.238 1.00 64.44 H new ATOM 0 HA SER A 74 26.601 -26.828 -6.137 1.00 12.33 H new ATOM 0 HB2 SER A 74 24.256 -26.195 -5.833 1.00 72.00 H new ATOM 0 HB3 SER A 74 24.664 -25.151 -4.486 1.00 72.00 H new ATOM 0 HG SER A 74 25.936 -23.868 -5.971 1.00 72.23 H new ATOM 1158 N HIS A 75 28.646 -25.946 -4.665 1.00 2.52 N ATOM 1159 CA HIS A 75 29.809 -25.157 -4.273 1.00 23.32 C ATOM 1160 C HIS A 75 29.956 -23.927 -5.162 1.00 44.44 C ATOM 1161 O HIS A 75 30.092 -24.042 -6.381 1.00 33.42 O ATOM 1162 CB HIS A 75 31.077 -26.009 -4.347 1.00 1.34 C ATOM 1163 CG HIS A 75 32.140 -25.585 -3.380 1.00 42.05 C ATOM 1164 ND1 HIS A 75 33.484 -25.589 -3.690 1.00 72.14 N ATOM 1165 CD2 HIS A 75 32.051 -25.140 -2.105 1.00 62.41 C ATOM 1166 CE1 HIS A 75 34.175 -25.167 -2.647 1.00 25.10 C ATOM 1167 NE2 HIS A 75 33.330 -24.888 -1.672 1.00 14.13 N ATOM 0 H HIS A 75 28.842 -26.933 -4.829 1.00 2.52 H new ATOM 0 HA HIS A 75 29.662 -24.825 -3.245 1.00 23.32 H new ATOM 0 HB2 HIS A 75 30.817 -27.050 -4.155 1.00 1.34 H new ATOM 0 HB3 HIS A 75 31.478 -25.962 -5.359 1.00 1.34 H new ATOM 0 HD2 HIS A 75 31.144 -25.008 -1.534 1.00 62.41 H new ATOM 0 HE1 HIS A 75 35.249 -25.067 -2.600 1.00 25.10 H new ATOM 0 HE2 HIS A 75 33.585 -24.542 -0.747 1.00 14.13 H new ATOM 1175 N ILE A 76 29.928 -22.750 -4.546 1.00 0.03 N ATOM 1176 CA ILE A 76 30.059 -21.499 -5.282 1.00 15.21 C ATOM 1177 C ILE A 76 31.501 -21.004 -5.274 1.00 70.21 C ATOM 1178 O ILE A 76 31.832 -20.035 -4.590 1.00 61.44 O ATOM 1179 CB ILE A 76 29.149 -20.403 -4.696 1.00 32.14 C ATOM 1180 CG1 ILE A 76 27.702 -20.896 -4.622 1.00 22.10 C ATOM 1181 CG2 ILE A 76 29.240 -19.135 -5.532 1.00 21.42 C ATOM 1182 CD1 ILE A 76 26.783 -19.961 -3.869 1.00 14.50 C ATOM 0 H ILE A 76 29.816 -22.637 -3.539 1.00 0.03 H new ATOM 0 HA ILE A 76 29.754 -21.704 -6.308 1.00 15.21 H new ATOM 0 HB ILE A 76 29.487 -20.173 -3.685 1.00 32.14 H new ATOM 0 HG12 ILE A 76 27.320 -21.030 -5.634 1.00 22.10 H new ATOM 0 HG13 ILE A 76 27.684 -21.874 -4.142 1.00 22.10 H new ATOM 0 HG21 ILE A 76 28.591 -18.370 -5.105 1.00 21.42 H new ATOM 0 HG22 ILE A 76 30.269 -18.776 -5.538 1.00 21.42 H new ATOM 0 HG23 ILE A 76 28.925 -19.349 -6.553 1.00 21.42 H new ATOM 0 HD11 ILE A 76 25.774 -20.374 -3.857 1.00 14.50 H new ATOM 0 HD12 ILE A 76 27.140 -19.845 -2.846 1.00 14.50 H new ATOM 0 HD13 ILE A 76 26.771 -18.988 -4.361 1.00 14.50 H new ATOM 1194 N ASP A 77 32.355 -21.675 -6.040 1.00 15.11 N ATOM 1195 CA ASP A 77 33.762 -21.302 -6.124 1.00 71.10 C ATOM 1196 C ASP A 77 33.914 -19.850 -6.566 1.00 71.13 C ATOM 1197 O ASP A 77 34.706 -19.097 -6.000 1.00 10.32 O ATOM 1198 CB ASP A 77 34.498 -22.224 -7.097 1.00 25.33 C ATOM 1199 CG ASP A 77 36.000 -22.017 -7.067 1.00 10.03 C ATOM 1200 OD1 ASP A 77 36.472 -21.223 -6.227 1.00 1.04 O ATOM 1201 OD2 ASP A 77 36.703 -22.648 -7.884 1.00 31.02 O ATOM 0 H ASP A 77 32.097 -22.480 -6.611 1.00 15.11 H new ATOM 0 HA ASP A 77 34.201 -21.408 -5.132 1.00 71.10 H new ATOM 0 HB2 ASP A 77 34.272 -23.262 -6.851 1.00 25.33 H new ATOM 0 HB3 ASP A 77 34.130 -22.049 -8.108 1.00 25.33 H new ATOM 1206 N LYS A 78 33.151 -19.464 -7.583 1.00 14.42 N ATOM 1207 CA LYS A 78 33.199 -18.102 -8.102 1.00 61.03 C ATOM 1208 C LYS A 78 31.795 -17.576 -8.383 1.00 60.53 C ATOM 1209 O LYS A 78 31.131 -18.023 -9.318 1.00 53.21 O ATOM 1210 CB LYS A 78 34.039 -18.052 -9.380 1.00 43.45 C ATOM 1211 CG LYS A 78 35.531 -18.196 -9.134 1.00 0.12 C ATOM 1212 CD LYS A 78 36.139 -16.901 -8.622 1.00 24.23 C ATOM 1213 CE LYS A 78 36.346 -15.899 -9.747 1.00 12.10 C ATOM 1214 NZ LYS A 78 37.184 -14.746 -9.316 1.00 41.00 N ATOM 0 H LYS A 78 32.492 -20.075 -8.064 1.00 14.42 H new ATOM 0 HA LYS A 78 33.660 -17.467 -7.345 1.00 61.03 H new ATOM 0 HB2 LYS A 78 33.712 -18.846 -10.051 1.00 43.45 H new ATOM 0 HB3 LYS A 78 33.853 -17.107 -9.890 1.00 43.45 H new ATOM 0 HG2 LYS A 78 35.706 -18.992 -8.411 1.00 0.12 H new ATOM 0 HG3 LYS A 78 36.026 -18.491 -10.059 1.00 0.12 H new ATOM 0 HD2 LYS A 78 35.488 -16.468 -7.863 1.00 24.23 H new ATOM 0 HD3 LYS A 78 37.094 -17.112 -8.141 1.00 24.23 H new ATOM 0 HE2 LYS A 78 36.820 -16.396 -10.593 1.00 12.10 H new ATOM 0 HE3 LYS A 78 35.378 -15.535 -10.092 1.00 12.10 H new ATOM 0 HZ1 LYS A 78 37.302 -14.086 -10.111 1.00 41.00 H new ATOM 0 HZ2 LYS A 78 36.720 -14.256 -8.525 1.00 41.00 H new ATOM 0 HZ3 LYS A 78 38.117 -15.090 -9.011 1.00 41.00 H new ATOM 1228 N ALA A 79 31.350 -16.625 -7.569 1.00 23.01 N ATOM 1229 CA ALA A 79 30.027 -16.037 -7.733 1.00 12.44 C ATOM 1230 C ALA A 79 30.121 -14.621 -8.292 1.00 72.23 C ATOM 1231 O ALA A 79 30.681 -13.729 -7.657 1.00 53.44 O ATOM 1232 CB ALA A 79 29.283 -16.033 -6.405 1.00 40.03 C ATOM 0 H ALA A 79 31.887 -16.245 -6.789 1.00 23.01 H new ATOM 0 HA ALA A 79 29.472 -16.646 -8.447 1.00 12.44 H new ATOM 0 HB1 ALA A 79 28.296 -15.591 -6.542 1.00 40.03 H new ATOM 0 HB2 ALA A 79 29.175 -17.056 -6.045 1.00 40.03 H new ATOM 0 HB3 ALA A 79 29.844 -15.449 -5.675 1.00 40.03 H new ATOM 1238 N ASN A 80 29.570 -14.424 -9.486 1.00 15.15 N ATOM 1239 CA ASN A 80 29.593 -13.117 -10.131 1.00 54.54 C ATOM 1240 C ASN A 80 28.223 -12.771 -10.709 1.00 5.21 C ATOM 1241 O ASN A 80 27.367 -13.641 -10.868 1.00 10.14 O ATOM 1242 CB ASN A 80 30.647 -13.091 -11.239 1.00 43.45 C ATOM 1243 CG ASN A 80 31.174 -11.693 -11.504 1.00 75.12 C ATOM 1244 OD1 ASN A 80 31.890 -11.121 -10.682 1.00 73.41 O ATOM 1245 ND2 ASN A 80 30.819 -11.136 -12.656 1.00 63.15 N ATOM 0 H ASN A 80 29.103 -15.153 -10.025 1.00 15.15 H new ATOM 0 HA ASN A 80 29.849 -12.372 -9.377 1.00 54.54 H new ATOM 0 HB2 ASN A 80 31.476 -13.743 -10.963 1.00 43.45 H new ATOM 0 HB3 ASN A 80 30.216 -13.494 -12.156 1.00 43.45 H new ATOM 0 HD21 ASN A 80 31.142 -10.197 -12.889 1.00 63.15 H new ATOM 0 HD22 ASN A 80 30.224 -11.647 -13.308 1.00 63.15 H new ATOM 1252 N PHE A 81 28.025 -11.495 -11.022 1.00 54.21 N ATOM 1253 CA PHE A 81 26.760 -11.033 -11.582 1.00 34.20 C ATOM 1254 C PHE A 81 26.953 -10.505 -13.000 1.00 42.23 C ATOM 1255 O PHE A 81 28.059 -10.533 -13.539 1.00 73.51 O ATOM 1256 CB PHE A 81 26.154 -9.942 -10.697 1.00 41.42 C ATOM 1257 CG PHE A 81 27.138 -8.880 -10.297 1.00 24.15 C ATOM 1258 CD1 PHE A 81 27.330 -7.760 -11.089 1.00 65.12 C ATOM 1259 CD2 PHE A 81 27.872 -9.003 -9.127 1.00 51.34 C ATOM 1260 CE1 PHE A 81 28.235 -6.781 -10.723 1.00 62.22 C ATOM 1261 CE2 PHE A 81 28.778 -8.027 -8.756 1.00 55.01 C ATOM 1262 CZ PHE A 81 28.960 -6.916 -9.556 1.00 4.54 C ATOM 0 H PHE A 81 28.724 -10.763 -10.898 1.00 54.21 H new ATOM 0 HA PHE A 81 26.077 -11.882 -11.619 1.00 34.20 H new ATOM 0 HB2 PHE A 81 25.323 -9.476 -11.226 1.00 41.42 H new ATOM 0 HB3 PHE A 81 25.742 -10.401 -9.799 1.00 41.42 H new ATOM 0 HD1 PHE A 81 26.766 -7.650 -12.003 1.00 65.12 H new ATOM 0 HD2 PHE A 81 27.734 -9.871 -8.499 1.00 51.34 H new ATOM 0 HE1 PHE A 81 28.375 -5.912 -11.349 1.00 62.22 H new ATOM 0 HE2 PHE A 81 29.343 -8.133 -7.842 1.00 55.01 H new ATOM 0 HZ PHE A 81 29.669 -6.153 -9.269 1.00 4.54 H new ATOM 1272 N ASN A 82 25.869 -10.023 -13.599 1.00 73.20 N ATOM 1273 CA ASN A 82 25.918 -9.489 -14.955 1.00 71.23 C ATOM 1274 C ASN A 82 25.682 -7.982 -14.955 1.00 50.13 C ATOM 1275 O ASN A 82 25.397 -7.388 -13.916 1.00 74.23 O ATOM 1276 CB ASN A 82 24.875 -10.180 -15.836 1.00 33.01 C ATOM 1277 CG ASN A 82 25.305 -10.260 -17.288 1.00 24.33 C ATOM 1278 OD1 ASN A 82 26.477 -10.065 -17.611 1.00 1.22 O ATOM 1279 ND2 ASN A 82 24.357 -10.549 -18.171 1.00 32.10 N ATOM 0 H ASN A 82 24.946 -9.991 -13.167 1.00 73.20 H new ATOM 0 HA ASN A 82 26.911 -9.683 -15.359 1.00 71.23 H new ATOM 0 HB2 ASN A 82 24.693 -11.186 -15.458 1.00 33.01 H new ATOM 0 HB3 ASN A 82 23.931 -9.639 -15.769 1.00 33.01 H new ATOM 0 HD21 ASN A 82 24.587 -10.617 -19.162 1.00 32.10 H new ATOM 0 HD22 ASN A 82 23.398 -10.703 -17.858 1.00 32.10 H new ATOM 1286 N ASN A 83 25.803 -7.370 -16.129 1.00 12.53 N ATOM 1287 CA ASN A 83 25.603 -5.931 -16.265 1.00 33.35 C ATOM 1288 C ASN A 83 24.149 -5.556 -15.994 1.00 73.50 C ATOM 1289 O ASN A 83 23.325 -5.527 -16.908 1.00 22.32 O ATOM 1290 CB ASN A 83 26.008 -5.469 -17.666 1.00 1.05 C ATOM 1291 CG ASN A 83 27.508 -5.298 -17.806 1.00 63.14 C ATOM 1292 OD1 ASN A 83 28.287 -5.996 -17.157 1.00 65.24 O ATOM 1293 ND2 ASN A 83 27.920 -4.366 -18.658 1.00 1.45 N ATOM 0 H ASN A 83 26.038 -7.847 -16.999 1.00 12.53 H new ATOM 0 HA ASN A 83 26.232 -5.431 -15.529 1.00 33.35 H new ATOM 0 HB2 ASN A 83 25.657 -6.194 -18.400 1.00 1.05 H new ATOM 0 HB3 ASN A 83 25.515 -4.523 -17.891 1.00 1.05 H new ATOM 0 HD21 ASN A 83 28.918 -4.206 -18.795 1.00 1.45 H new ATOM 0 HD22 ASN A 83 27.238 -3.811 -19.175 1.00 1.45 H new ATOM 1300 N GLU A 84 23.842 -5.270 -14.733 1.00 31.24 N ATOM 1301 CA GLU A 84 22.487 -4.897 -14.342 1.00 62.44 C ATOM 1302 C GLU A 84 21.963 -3.760 -15.215 1.00 22.32 C ATOM 1303 O GLU A 84 22.641 -2.752 -15.414 1.00 40.12 O ATOM 1304 CB GLU A 84 22.453 -4.483 -12.870 1.00 14.30 C ATOM 1305 CG GLU A 84 21.063 -4.121 -12.372 1.00 23.31 C ATOM 1306 CD GLU A 84 21.093 -3.364 -11.059 1.00 22.05 C ATOM 1307 OE1 GLU A 84 21.393 -3.990 -10.020 1.00 75.11 O ATOM 1308 OE2 GLU A 84 20.817 -2.146 -11.069 1.00 22.33 O ATOM 0 H GLU A 84 24.513 -5.289 -13.965 1.00 31.24 H new ATOM 0 HA GLU A 84 21.843 -5.765 -14.482 1.00 62.44 H new ATOM 0 HB2 GLU A 84 22.847 -5.298 -12.263 1.00 14.30 H new ATOM 0 HB3 GLU A 84 23.115 -3.629 -12.726 1.00 14.30 H new ATOM 0 HG2 GLU A 84 20.558 -3.516 -13.125 1.00 23.31 H new ATOM 0 HG3 GLU A 84 20.477 -5.032 -12.249 1.00 23.31 H new ATOM 1315 N LYS A 85 20.752 -3.930 -15.733 1.00 72.44 N ATOM 1316 CA LYS A 85 20.134 -2.920 -16.584 1.00 43.11 C ATOM 1317 C LYS A 85 18.632 -2.839 -16.331 1.00 23.32 C ATOM 1318 O LYS A 85 18.060 -3.694 -15.655 1.00 31.14 O ATOM 1319 CB LYS A 85 20.397 -3.235 -18.058 1.00 45.14 C ATOM 1320 CG LYS A 85 20.175 -4.694 -18.418 1.00 5.23 C ATOM 1321 CD LYS A 85 20.264 -4.918 -19.918 1.00 34.30 C ATOM 1322 CE LYS A 85 21.701 -5.137 -20.365 1.00 52.24 C ATOM 1323 NZ LYS A 85 21.777 -5.958 -21.605 1.00 40.03 N ATOM 0 H LYS A 85 20.178 -4.759 -15.578 1.00 72.44 H new ATOM 0 HA LYS A 85 20.578 -1.955 -16.340 1.00 43.11 H new ATOM 0 HB2 LYS A 85 19.747 -2.614 -18.675 1.00 45.14 H new ATOM 0 HB3 LYS A 85 21.424 -2.962 -18.302 1.00 45.14 H new ATOM 0 HG2 LYS A 85 20.917 -5.311 -17.912 1.00 5.23 H new ATOM 0 HG3 LYS A 85 19.197 -5.013 -18.059 1.00 5.23 H new ATOM 0 HD2 LYS A 85 19.660 -5.782 -20.194 1.00 34.30 H new ATOM 0 HD3 LYS A 85 19.846 -4.057 -20.441 1.00 34.30 H new ATOM 0 HE2 LYS A 85 22.178 -4.173 -20.538 1.00 52.24 H new ATOM 0 HE3 LYS A 85 22.258 -5.630 -19.568 1.00 52.24 H new ATOM 0 HZ1 LYS A 85 22.773 -6.085 -21.877 1.00 40.03 H new ATOM 0 HZ2 LYS A 85 21.344 -6.888 -21.433 1.00 40.03 H new ATOM 0 HZ3 LYS A 85 21.267 -5.476 -22.372 1.00 40.03 H new ATOM 1337 N VAL A 86 17.999 -1.807 -16.879 1.00 72.42 N ATOM 1338 CA VAL A 86 16.563 -1.617 -16.715 1.00 14.13 C ATOM 1339 C VAL A 86 15.795 -2.157 -17.916 1.00 64.22 C ATOM 1340 O VAL A 86 16.343 -2.277 -19.013 1.00 3.45 O ATOM 1341 CB VAL A 86 16.212 -0.129 -16.522 1.00 61.52 C ATOM 1342 CG1 VAL A 86 16.815 0.398 -15.229 1.00 41.44 C ATOM 1343 CG2 VAL A 86 16.687 0.688 -17.714 1.00 74.23 C ATOM 0 H VAL A 86 18.458 -1.090 -17.440 1.00 72.42 H new ATOM 0 HA VAL A 86 16.271 -2.171 -15.823 1.00 14.13 H new ATOM 0 HB VAL A 86 15.128 -0.034 -16.454 1.00 61.52 H new ATOM 0 HG11 VAL A 86 16.557 1.450 -15.109 1.00 41.44 H new ATOM 0 HG12 VAL A 86 16.422 -0.170 -14.386 1.00 41.44 H new ATOM 0 HG13 VAL A 86 17.899 0.292 -15.264 1.00 41.44 H new ATOM 0 HG21 VAL A 86 16.431 1.737 -17.562 1.00 74.23 H new ATOM 0 HG22 VAL A 86 17.768 0.589 -17.815 1.00 74.23 H new ATOM 0 HG23 VAL A 86 16.203 0.324 -18.620 1.00 74.23 H new ATOM 1353 N ILE A 87 14.525 -2.482 -17.703 1.00 12.23 N ATOM 1354 CA ILE A 87 13.682 -3.008 -18.769 1.00 13.11 C ATOM 1355 C ILE A 87 12.262 -2.460 -18.669 1.00 3.43 C ATOM 1356 O ILE A 87 11.964 -1.632 -17.806 1.00 70.41 O ATOM 1357 CB ILE A 87 13.629 -4.547 -18.737 1.00 51.24 C ATOM 1358 CG1 ILE A 87 13.085 -5.033 -17.392 1.00 42.33 C ATOM 1359 CG2 ILE A 87 15.010 -5.130 -18.998 1.00 52.44 C ATOM 1360 CD1 ILE A 87 14.153 -5.199 -16.333 1.00 54.34 C ATOM 0 H ILE A 87 14.057 -2.390 -16.801 1.00 12.23 H new ATOM 0 HA ILE A 87 14.127 -2.687 -19.711 1.00 13.11 H new ATOM 0 HB ILE A 87 12.957 -4.889 -19.524 1.00 51.24 H new ATOM 0 HG12 ILE A 87 12.337 -4.325 -17.035 1.00 42.33 H new ATOM 0 HG13 ILE A 87 12.578 -5.987 -17.538 1.00 42.33 H new ATOM 0 HG21 ILE A 87 14.956 -6.218 -18.972 1.00 52.44 H new ATOM 0 HG22 ILE A 87 15.362 -4.807 -19.978 1.00 52.44 H new ATOM 0 HG23 ILE A 87 15.702 -4.783 -18.231 1.00 52.44 H new ATOM 0 HD11 ILE A 87 13.696 -5.546 -15.406 1.00 54.34 H new ATOM 0 HD12 ILE A 87 14.889 -5.929 -16.670 1.00 54.34 H new ATOM 0 HD13 ILE A 87 14.645 -4.242 -16.159 1.00 54.34 H new ATOM 1372 N LEU A 88 11.390 -2.927 -19.555 1.00 12.43 N ATOM 1373 CA LEU A 88 10.000 -2.485 -19.566 1.00 15.24 C ATOM 1374 C LEU A 88 9.180 -3.241 -18.525 1.00 74.12 C ATOM 1375 O LEU A 88 8.332 -2.662 -17.845 1.00 44.32 O ATOM 1376 CB LEU A 88 9.391 -2.685 -20.955 1.00 1.33 C ATOM 1377 CG LEU A 88 9.619 -1.553 -21.957 1.00 3.52 C ATOM 1378 CD1 LEU A 88 11.045 -1.586 -22.484 1.00 43.21 C ATOM 1379 CD2 LEU A 88 8.623 -1.646 -23.103 1.00 14.41 C ATOM 0 H LEU A 88 11.621 -3.612 -20.275 1.00 12.43 H new ATOM 0 HA LEU A 88 9.980 -1.424 -19.317 1.00 15.24 H new ATOM 0 HB2 LEU A 88 9.795 -3.605 -21.378 1.00 1.33 H new ATOM 0 HB3 LEU A 88 8.317 -2.832 -20.841 1.00 1.33 H new ATOM 0 HG LEU A 88 9.465 -0.604 -21.444 1.00 3.52 H new ATOM 0 HD11 LEU A 88 11.189 -0.773 -23.196 1.00 43.21 H new ATOM 0 HD12 LEU A 88 11.742 -1.469 -21.654 1.00 43.21 H new ATOM 0 HD13 LEU A 88 11.228 -2.539 -22.980 1.00 43.21 H new ATOM 0 HD21 LEU A 88 8.800 -0.832 -23.806 1.00 14.41 H new ATOM 0 HD22 LEU A 88 8.745 -2.601 -23.615 1.00 14.41 H new ATOM 0 HD23 LEU A 88 7.609 -1.572 -22.711 1.00 14.41 H new ATOM 1391 N LYS A 89 9.439 -4.539 -18.405 1.00 14.34 N ATOM 1392 CA LYS A 89 8.728 -5.375 -17.445 1.00 20.32 C ATOM 1393 C LYS A 89 9.451 -6.702 -17.239 1.00 65.33 C ATOM 1394 O LYS A 89 10.495 -6.952 -17.844 1.00 23.23 O ATOM 1395 CB LYS A 89 7.297 -5.631 -17.922 1.00 35.23 C ATOM 1396 CG LYS A 89 7.203 -6.007 -19.390 1.00 53.54 C ATOM 1397 CD LYS A 89 5.759 -6.180 -19.831 1.00 14.35 C ATOM 1398 CE LYS A 89 5.667 -6.881 -21.177 1.00 34.41 C ATOM 1399 NZ LYS A 89 5.707 -5.916 -22.310 1.00 3.54 N ATOM 0 H LYS A 89 10.136 -5.035 -18.961 1.00 14.34 H new ATOM 0 HA LYS A 89 8.698 -4.846 -16.493 1.00 20.32 H new ATOM 0 HB2 LYS A 89 6.861 -6.430 -17.322 1.00 35.23 H new ATOM 0 HB3 LYS A 89 6.699 -4.737 -17.746 1.00 35.23 H new ATOM 0 HG2 LYS A 89 7.679 -5.235 -19.995 1.00 53.54 H new ATOM 0 HG3 LYS A 89 7.751 -6.933 -19.565 1.00 53.54 H new ATOM 0 HD2 LYS A 89 5.215 -6.756 -19.082 1.00 14.35 H new ATOM 0 HD3 LYS A 89 5.277 -5.204 -19.894 1.00 14.35 H new ATOM 0 HE2 LYS A 89 6.490 -7.589 -21.274 1.00 34.41 H new ATOM 0 HE3 LYS A 89 4.743 -7.457 -21.224 1.00 34.41 H new ATOM 0 HZ1 LYS A 89 5.642 -6.434 -23.210 1.00 3.54 H new ATOM 0 HZ2 LYS A 89 4.907 -5.256 -22.232 1.00 3.54 H new ATOM 0 HZ3 LYS A 89 6.600 -5.383 -22.281 1.00 3.54 H new ATOM 1413 N LEU A 90 8.890 -7.551 -16.385 1.00 4.43 N ATOM 1414 CA LEU A 90 9.481 -8.854 -16.101 1.00 4.32 C ATOM 1415 C LEU A 90 9.693 -9.647 -17.386 1.00 64.22 C ATOM 1416 O LEU A 90 9.113 -9.332 -18.425 1.00 42.41 O ATOM 1417 CB LEU A 90 8.588 -9.643 -15.142 1.00 40.03 C ATOM 1418 CG LEU A 90 8.253 -8.956 -13.818 1.00 54.11 C ATOM 1419 CD1 LEU A 90 7.036 -9.602 -13.174 1.00 72.54 C ATOM 1420 CD2 LEU A 90 9.446 -9.004 -12.875 1.00 51.00 C ATOM 0 H LEU A 90 8.026 -7.360 -15.877 1.00 4.43 H new ATOM 0 HA LEU A 90 10.452 -8.691 -15.632 1.00 4.32 H new ATOM 0 HB2 LEU A 90 7.654 -9.875 -15.654 1.00 40.03 H new ATOM 0 HB3 LEU A 90 9.075 -10.593 -14.922 1.00 40.03 H new ATOM 0 HG LEU A 90 8.019 -7.911 -14.022 1.00 54.11 H new ATOM 0 HD11 LEU A 90 6.813 -9.100 -12.233 1.00 72.54 H new ATOM 0 HD12 LEU A 90 6.180 -9.515 -13.844 1.00 72.54 H new ATOM 0 HD13 LEU A 90 7.241 -10.655 -12.983 1.00 72.54 H new ATOM 0 HD21 LEU A 90 9.189 -8.510 -11.938 1.00 51.00 H new ATOM 0 HD22 LEU A 90 9.712 -10.042 -12.677 1.00 51.00 H new ATOM 0 HD23 LEU A 90 10.293 -8.494 -13.334 1.00 51.00 H new ATOM 1432 N ASP A 91 10.526 -10.679 -17.308 1.00 23.14 N ATOM 1433 CA ASP A 91 10.813 -11.520 -18.464 1.00 35.42 C ATOM 1434 C ASP A 91 9.863 -12.713 -18.516 1.00 63.50 C ATOM 1435 O ASP A 91 9.468 -13.158 -19.594 1.00 35.12 O ATOM 1436 CB ASP A 91 12.262 -12.007 -18.421 1.00 33.53 C ATOM 1437 CG ASP A 91 13.205 -11.085 -19.168 1.00 30.05 C ATOM 1438 OD1 ASP A 91 12.761 -9.996 -19.588 1.00 2.21 O ATOM 1439 OD2 ASP A 91 14.387 -11.452 -19.331 1.00 3.11 O ATOM 0 H ASP A 91 11.015 -10.953 -16.456 1.00 23.14 H new ATOM 0 HA ASP A 91 10.667 -10.922 -19.363 1.00 35.42 H new ATOM 0 HB2 ASP A 91 12.584 -12.088 -17.383 1.00 33.53 H new ATOM 0 HB3 ASP A 91 12.319 -13.007 -18.852 1.00 33.53 H new ATOM 1444 N TYR A 92 9.503 -13.228 -17.346 1.00 12.35 N ATOM 1445 CA TYR A 92 8.603 -14.372 -17.258 1.00 11.52 C ATOM 1446 C TYR A 92 7.384 -14.041 -16.402 1.00 30.32 C ATOM 1447 O TYR A 92 7.495 -13.368 -15.378 1.00 12.45 O ATOM 1448 CB TYR A 92 9.337 -15.581 -16.675 1.00 54.33 C ATOM 1449 CG TYR A 92 9.270 -16.810 -17.553 1.00 73.01 C ATOM 1450 CD1 TYR A 92 8.048 -17.358 -17.924 1.00 11.22 C ATOM 1451 CD2 TYR A 92 10.429 -17.423 -18.013 1.00 31.23 C ATOM 1452 CE1 TYR A 92 7.982 -18.481 -18.725 1.00 24.31 C ATOM 1453 CE2 TYR A 92 10.373 -18.546 -18.816 1.00 31.14 C ATOM 1454 CZ TYR A 92 9.147 -19.072 -19.168 1.00 44.44 C ATOM 1455 OH TYR A 92 9.086 -20.190 -19.968 1.00 3.02 O ATOM 0 H TYR A 92 9.821 -12.871 -16.445 1.00 12.35 H new ATOM 0 HA TYR A 92 8.263 -14.613 -18.265 1.00 11.52 H new ATOM 0 HB2 TYR A 92 10.382 -15.317 -16.512 1.00 54.33 H new ATOM 0 HB3 TYR A 92 8.912 -15.818 -15.699 1.00 54.33 H new ATOM 0 HD1 TYR A 92 7.134 -16.897 -17.580 1.00 11.22 H new ATOM 0 HD2 TYR A 92 11.390 -17.015 -17.738 1.00 31.23 H new ATOM 0 HE1 TYR A 92 7.024 -18.894 -19.003 1.00 24.31 H new ATOM 0 HE2 TYR A 92 11.284 -19.009 -19.166 1.00 31.14 H new ATOM 0 HH TYR A 92 9.994 -20.481 -20.193 1.00 3.02 H new ATOM 1465 N SER A 93 6.221 -14.522 -16.830 1.00 11.33 N ATOM 1466 CA SER A 93 4.979 -14.276 -16.105 1.00 43.15 C ATOM 1467 C SER A 93 4.988 -14.987 -14.756 1.00 10.14 C ATOM 1468 O SER A 93 4.252 -14.615 -13.841 1.00 61.42 O ATOM 1469 CB SER A 93 3.780 -14.743 -16.933 1.00 24.10 C ATOM 1470 OG SER A 93 3.826 -14.208 -18.244 1.00 50.42 O ATOM 0 H SER A 93 6.113 -15.084 -17.674 1.00 11.33 H new ATOM 0 HA SER A 93 4.895 -13.203 -15.930 1.00 43.15 H new ATOM 0 HB2 SER A 93 3.770 -15.832 -16.981 1.00 24.10 H new ATOM 0 HB3 SER A 93 2.855 -14.437 -16.444 1.00 24.10 H new ATOM 0 HG SER A 93 3.050 -14.523 -18.753 1.00 50.42 H new ATOM 1476 N ASP A 94 5.826 -16.011 -14.639 1.00 72.21 N ATOM 1477 CA ASP A 94 5.932 -16.775 -13.401 1.00 43.13 C ATOM 1478 C ASP A 94 7.231 -17.575 -13.366 1.00 53.15 C ATOM 1479 O ASP A 94 8.068 -17.459 -14.262 1.00 74.31 O ATOM 1480 CB ASP A 94 4.735 -17.715 -13.252 1.00 62.14 C ATOM 1481 CG ASP A 94 4.716 -18.800 -14.311 1.00 23.31 C ATOM 1482 OD1 ASP A 94 4.893 -18.470 -15.503 1.00 33.54 O ATOM 1483 OD2 ASP A 94 4.526 -19.980 -13.947 1.00 51.45 O ATOM 0 H ASP A 94 6.442 -16.331 -15.386 1.00 72.21 H new ATOM 0 HA ASP A 94 5.937 -16.072 -12.568 1.00 43.13 H new ATOM 0 HB2 ASP A 94 4.759 -18.176 -12.264 1.00 62.14 H new ATOM 0 HB3 ASP A 94 3.813 -17.137 -13.312 1.00 62.14 H new ATOM 1488 N PHE A 95 7.392 -18.386 -12.326 1.00 45.40 N ATOM 1489 CA PHE A 95 8.590 -19.204 -12.173 1.00 40.41 C ATOM 1490 C PHE A 95 8.425 -20.547 -12.878 1.00 13.04 C ATOM 1491 O PHE A 95 7.384 -21.194 -12.764 1.00 24.50 O ATOM 1492 CB PHE A 95 8.895 -19.427 -10.690 1.00 40.34 C ATOM 1493 CG PHE A 95 7.829 -20.200 -9.969 1.00 33.12 C ATOM 1494 CD1 PHE A 95 7.876 -21.584 -9.913 1.00 55.31 C ATOM 1495 CD2 PHE A 95 6.779 -19.543 -9.347 1.00 22.55 C ATOM 1496 CE1 PHE A 95 6.896 -22.299 -9.250 1.00 1.44 C ATOM 1497 CE2 PHE A 95 5.797 -20.253 -8.681 1.00 42.22 C ATOM 1498 CZ PHE A 95 5.855 -21.632 -8.634 1.00 20.13 C ATOM 0 H PHE A 95 6.708 -18.495 -11.577 1.00 45.40 H new ATOM 0 HA PHE A 95 9.424 -18.673 -12.632 1.00 40.41 H new ATOM 0 HB2 PHE A 95 9.843 -19.958 -10.598 1.00 40.34 H new ATOM 0 HB3 PHE A 95 9.023 -18.460 -10.204 1.00 40.34 H new ATOM 0 HD1 PHE A 95 8.688 -22.110 -10.393 1.00 55.31 H new ATOM 0 HD2 PHE A 95 6.727 -18.465 -9.383 1.00 22.55 H new ATOM 0 HE1 PHE A 95 6.944 -23.377 -9.214 1.00 1.44 H new ATOM 0 HE2 PHE A 95 4.985 -19.730 -8.198 1.00 42.22 H new ATOM 0 HZ PHE A 95 5.087 -22.188 -8.116 1.00 20.13 H new ATOM 1508 N GLN A 96 9.458 -20.958 -13.605 1.00 42.23 N ATOM 1509 CA GLN A 96 9.427 -22.223 -14.329 1.00 61.05 C ATOM 1510 C GLN A 96 10.838 -22.752 -14.561 1.00 65.42 C ATOM 1511 O GLN A 96 11.807 -21.992 -14.545 1.00 22.44 O ATOM 1512 CB GLN A 96 8.708 -22.051 -15.669 1.00 11.15 C ATOM 1513 CG GLN A 96 7.213 -22.318 -15.595 1.00 63.31 C ATOM 1514 CD GLN A 96 6.893 -23.694 -15.044 1.00 12.42 C ATOM 1515 OE1 GLN A 96 7.571 -24.673 -15.355 1.00 20.23 O ATOM 1516 NE2 GLN A 96 5.854 -23.774 -14.220 1.00 25.30 N ATOM 0 H GLN A 96 10.327 -20.434 -13.708 1.00 42.23 H new ATOM 0 HA GLN A 96 8.882 -22.946 -13.722 1.00 61.05 H new ATOM 0 HB2 GLN A 96 8.870 -21.036 -16.031 1.00 11.15 H new ATOM 0 HB3 GLN A 96 9.154 -22.725 -16.400 1.00 11.15 H new ATOM 0 HG2 GLN A 96 6.743 -21.561 -14.967 1.00 63.31 H new ATOM 0 HG3 GLN A 96 6.780 -22.220 -16.591 1.00 63.31 H new ATOM 0 HE21 GLN A 96 5.320 -22.936 -13.990 1.00 25.30 H new ATOM 0 HE22 GLN A 96 5.590 -24.673 -13.818 1.00 25.30 H new ATOM 1525 N ILE A 97 10.947 -24.059 -14.777 1.00 30.15 N ATOM 1526 CA ILE A 97 12.240 -24.689 -15.012 1.00 60.22 C ATOM 1527 C ILE A 97 12.503 -24.862 -16.504 1.00 64.22 C ATOM 1528 O ILE A 97 11.584 -25.114 -17.283 1.00 12.20 O ATOM 1529 CB ILE A 97 12.330 -26.064 -14.324 1.00 2.13 C ATOM 1530 CG1 ILE A 97 12.028 -25.931 -12.830 1.00 23.04 C ATOM 1531 CG2 ILE A 97 13.707 -26.675 -14.539 1.00 52.21 C ATOM 1532 CD1 ILE A 97 11.883 -27.260 -12.122 1.00 71.10 C ATOM 0 H ILE A 97 10.155 -24.702 -14.794 1.00 30.15 H new ATOM 0 HA ILE A 97 12.995 -24.029 -14.586 1.00 60.22 H new ATOM 0 HB ILE A 97 11.587 -26.726 -14.769 1.00 2.13 H new ATOM 0 HG12 ILE A 97 12.827 -25.361 -12.355 1.00 23.04 H new ATOM 0 HG13 ILE A 97 11.109 -25.359 -12.703 1.00 23.04 H new ATOM 0 HG21 ILE A 97 13.755 -27.646 -14.047 1.00 52.21 H new ATOM 0 HG22 ILE A 97 13.887 -26.800 -15.607 1.00 52.21 H new ATOM 0 HG23 ILE A 97 14.467 -26.017 -14.118 1.00 52.21 H new ATOM 0 HD11 ILE A 97 11.670 -27.089 -11.067 1.00 71.10 H new ATOM 0 HD12 ILE A 97 11.065 -27.824 -12.571 1.00 71.10 H new ATOM 0 HD13 ILE A 97 12.809 -27.826 -12.218 1.00 71.10 H new ATOM 1544 N VAL A 98 13.766 -24.727 -16.896 1.00 65.32 N ATOM 1545 CA VAL A 98 14.152 -24.872 -18.295 1.00 5.43 C ATOM 1546 C VAL A 98 15.348 -25.806 -18.441 1.00 44.32 C ATOM 1547 O VAL A 98 16.321 -25.710 -17.692 1.00 35.42 O ATOM 1548 CB VAL A 98 14.499 -23.509 -18.925 1.00 32.42 C ATOM 1549 CG1 VAL A 98 14.834 -23.673 -20.399 1.00 51.34 C ATOM 1550 CG2 VAL A 98 13.352 -22.528 -18.736 1.00 33.43 C ATOM 0 H VAL A 98 14.539 -24.517 -16.265 1.00 65.32 H new ATOM 0 HA VAL A 98 13.296 -25.299 -18.818 1.00 5.43 H new ATOM 0 HB VAL A 98 15.377 -23.107 -18.420 1.00 32.42 H new ATOM 0 HG11 VAL A 98 15.076 -22.700 -20.827 1.00 51.34 H new ATOM 0 HG12 VAL A 98 15.689 -24.340 -20.506 1.00 51.34 H new ATOM 0 HG13 VAL A 98 13.977 -24.096 -20.922 1.00 51.34 H new ATOM 0 HG21 VAL A 98 13.614 -21.571 -19.187 1.00 33.43 H new ATOM 0 HG22 VAL A 98 12.455 -22.921 -19.214 1.00 33.43 H new ATOM 0 HG23 VAL A 98 13.164 -22.388 -17.671 1.00 33.43 H new ATOM 1560 N LYS A 99 15.271 -26.709 -19.412 1.00 72.32 N ATOM 1561 CA LYS A 99 16.347 -27.661 -19.660 1.00 61.21 C ATOM 1562 C LYS A 99 17.006 -27.398 -21.010 1.00 43.31 C ATOM 1563 O LYS A 99 18.224 -27.513 -21.150 1.00 42.32 O ATOM 1564 CB LYS A 99 15.810 -29.093 -19.614 1.00 32.43 C ATOM 1565 CG LYS A 99 14.987 -29.474 -20.832 1.00 52.02 C ATOM 1566 CD LYS A 99 14.009 -30.594 -20.517 1.00 44.13 C ATOM 1567 CE LYS A 99 13.692 -31.421 -21.754 1.00 14.50 C ATOM 1568 NZ LYS A 99 12.716 -30.734 -22.645 1.00 14.45 N ATOM 0 H LYS A 99 14.473 -26.802 -20.041 1.00 72.32 H new ATOM 0 HA LYS A 99 17.096 -27.535 -18.879 1.00 61.21 H new ATOM 0 HB2 LYS A 99 16.648 -29.784 -19.522 1.00 32.43 H new ATOM 0 HB3 LYS A 99 15.198 -29.214 -18.720 1.00 32.43 H new ATOM 0 HG2 LYS A 99 14.440 -28.602 -21.190 1.00 52.02 H new ATOM 0 HG3 LYS A 99 15.651 -29.786 -21.638 1.00 52.02 H new ATOM 0 HD2 LYS A 99 14.429 -31.239 -19.745 1.00 44.13 H new ATOM 0 HD3 LYS A 99 13.088 -30.172 -20.114 1.00 44.13 H new ATOM 0 HE2 LYS A 99 14.612 -31.617 -22.305 1.00 14.50 H new ATOM 0 HE3 LYS A 99 13.290 -32.388 -21.451 1.00 14.50 H new ATOM 0 HZ1 LYS A 99 12.526 -31.329 -23.476 1.00 14.45 H new ATOM 0 HZ2 LYS A 99 11.829 -30.569 -22.127 1.00 14.45 H new ATOM 0 HZ3 LYS A 99 13.110 -29.823 -22.955 1.00 14.45 H new TER 1582 LYS A 99