USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 644 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 48 SER OG : rot 180:sc= -0.134 USER MOD Set 1.2: A 50 THR OG1 : rot -143:sc= 0.578 USER MOD Set 1.3: A 67 THR OG1 : rot -84:sc= -1.14 USER MOD Set 1.4: A 69 ASN : amide:sc= -6.35! C(o=-7!,f=-13!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.187 (180deg=-1.58) USER MOD Single : A 7 SER OG : rot 66:sc= 0.586 USER MOD Single : A 9 SER OG : rot 77:sc= 0.0226 USER MOD Single : A 11 SER OG : rot -61:sc= 0.151 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.132 K(o=0.13,f=-2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 34 ASN : amide:sc= -0.0935 X(o=-0.094,f=-0.094) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.9) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 81:sc= -0.655 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -50:sc= -0.947 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.103 F(o=-0.84,f=-0.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.26) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 105:sc= 0.753 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.243 -0.520 -0.271 1.00 41.44 N ATOM 2 CA MET A 1 2.273 0.089 -1.105 1.00 3.10 C ATOM 3 C MET A 1 3.661 -0.155 -0.520 1.00 34.01 C ATOM 4 O MET A 1 4.312 0.754 -0.006 1.00 5.13 O ATOM 5 CB MET A 1 2.024 1.592 -1.246 1.00 35.13 C ATOM 6 CG MET A 1 1.741 2.287 0.076 1.00 3.42 C ATOM 7 SD MET A 1 2.171 4.038 0.046 1.00 43.24 S ATOM 8 CE MET A 1 0.868 4.725 1.064 1.00 31.23 C ATOM 0 H1 MET A 1 0.416 0.109 -0.226 1.00 41.44 H new ATOM 0 H2 MET A 1 0.961 -1.434 -0.679 1.00 41.44 H new ATOM 0 H3 MET A 1 1.617 -0.670 0.688 1.00 41.44 H new ATOM 0 HA MET A 1 2.226 -0.374 -2.091 1.00 3.10 H new ATOM 0 HB2 MET A 1 2.895 2.054 -1.711 1.00 35.13 H new ATOM 0 HB3 MET A 1 1.181 1.751 -1.919 1.00 35.13 H new ATOM 0 HG2 MET A 1 0.684 2.181 0.319 1.00 3.42 H new ATOM 0 HG3 MET A 1 2.302 1.793 0.869 1.00 3.42 H new ATOM 0 HE1 MET A 1 0.997 5.805 1.141 1.00 31.23 H new ATOM 0 HE2 MET A 1 -0.100 4.506 0.613 1.00 31.23 H new ATOM 0 HE3 MET A 1 0.912 4.283 2.059 1.00 31.23 H new ATOM 18 N PRO A 2 4.124 -1.411 -0.598 1.00 64.14 N ATOM 19 CA PRO A 2 5.439 -1.803 -0.082 1.00 20.32 C ATOM 20 C PRO A 2 6.583 -1.225 -0.908 1.00 73.22 C ATOM 21 O PRO A 2 6.395 -0.841 -2.062 1.00 73.11 O ATOM 22 CB PRO A 2 5.421 -3.330 -0.188 1.00 71.24 C ATOM 23 CG PRO A 2 4.448 -3.622 -1.278 1.00 35.43 C ATOM 24 CD PRO A 2 3.401 -2.545 -1.198 1.00 64.11 C ATOM 0 HA PRO A 2 5.606 -1.434 0.930 1.00 20.32 H new ATOM 0 HB2 PRO A 2 6.410 -3.722 -0.425 1.00 71.24 H new ATOM 0 HB3 PRO A 2 5.113 -3.789 0.752 1.00 71.24 H new ATOM 0 HG2 PRO A 2 4.939 -3.617 -2.251 1.00 35.43 H new ATOM 0 HG3 PRO A 2 4.003 -4.609 -1.150 1.00 35.43 H new ATOM 0 HD2 PRO A 2 3.006 -2.294 -2.183 1.00 64.11 H new ATOM 0 HD3 PRO A 2 2.554 -2.852 -0.584 1.00 64.11 H new ATOM 32 N ALA A 3 7.768 -1.167 -0.310 1.00 41.31 N ATOM 33 CA ALA A 3 8.943 -0.638 -0.992 1.00 54.33 C ATOM 34 C ALA A 3 10.113 -1.612 -0.906 1.00 54.05 C ATOM 35 O ALA A 3 10.076 -2.574 -0.140 1.00 62.33 O ATOM 36 CB ALA A 3 9.332 0.711 -0.404 1.00 72.44 C ATOM 0 H ALA A 3 7.940 -1.480 0.645 1.00 41.31 H new ATOM 0 HA ALA A 3 8.692 -0.505 -2.044 1.00 54.33 H new ATOM 0 HB1 ALA A 3 10.211 1.094 -0.923 1.00 72.44 H new ATOM 0 HB2 ALA A 3 8.506 1.412 -0.523 1.00 72.44 H new ATOM 0 HB3 ALA A 3 9.558 0.594 0.656 1.00 72.44 H new ATOM 42 N ALA A 4 11.149 -1.356 -1.698 1.00 70.01 N ATOM 43 CA ALA A 4 12.330 -2.210 -1.710 1.00 42.01 C ATOM 44 C ALA A 4 13.595 -1.401 -1.441 1.00 32.51 C ATOM 45 O ALA A 4 13.703 -0.244 -1.849 1.00 32.24 O ATOM 46 CB ALA A 4 12.441 -2.939 -3.041 1.00 11.00 C ATOM 0 H ALA A 4 11.194 -0.564 -2.339 1.00 70.01 H new ATOM 0 HA ALA A 4 12.224 -2.946 -0.913 1.00 42.01 H new ATOM 0 HB1 ALA A 4 13.328 -3.573 -3.036 1.00 11.00 H new ATOM 0 HB2 ALA A 4 11.555 -3.555 -3.193 1.00 11.00 H new ATOM 0 HB3 ALA A 4 12.520 -2.211 -3.849 1.00 11.00 H new ATOM 52 N LEU A 5 14.549 -2.017 -0.752 1.00 22.03 N ATOM 53 CA LEU A 5 15.807 -1.354 -0.427 1.00 44.11 C ATOM 54 C LEU A 5 15.570 -0.149 0.478 1.00 24.42 C ATOM 55 O LEU A 5 15.092 0.893 0.030 1.00 22.21 O ATOM 56 CB LEU A 5 16.519 -0.912 -1.707 1.00 72.02 C ATOM 57 CG LEU A 5 18.032 -1.130 -1.744 1.00 32.42 C ATOM 58 CD1 LEU A 5 18.596 -0.733 -3.099 1.00 72.32 C ATOM 59 CD2 LEU A 5 18.711 -0.346 -0.631 1.00 0.22 C ATOM 0 H LEU A 5 14.476 -2.974 -0.408 1.00 22.03 H new ATOM 0 HA LEU A 5 16.437 -2.066 0.105 1.00 44.11 H new ATOM 0 HB2 LEU A 5 16.075 -1.444 -2.548 1.00 72.02 H new ATOM 0 HB3 LEU A 5 16.321 0.149 -1.861 1.00 72.02 H new ATOM 0 HG LEU A 5 18.231 -2.190 -1.588 1.00 32.42 H new ATOM 0 HD11 LEU A 5 19.674 -0.895 -3.106 1.00 72.32 H new ATOM 0 HD12 LEU A 5 18.133 -1.339 -3.878 1.00 72.32 H new ATOM 0 HD13 LEU A 5 18.386 0.320 -3.286 1.00 72.32 H new ATOM 0 HD21 LEU A 5 19.787 -0.513 -0.673 1.00 0.22 H new ATOM 0 HD22 LEU A 5 18.504 0.717 -0.756 1.00 0.22 H new ATOM 0 HD23 LEU A 5 18.329 -0.679 0.334 1.00 0.22 H new ATOM 71 N VAL A 6 15.910 -0.299 1.755 1.00 42.14 N ATOM 72 CA VAL A 6 15.738 0.777 2.723 1.00 53.52 C ATOM 73 C VAL A 6 17.055 1.111 3.415 1.00 73.34 C ATOM 74 O VAL A 6 17.577 2.217 3.277 1.00 24.34 O ATOM 75 CB VAL A 6 14.689 0.410 3.789 1.00 13.32 C ATOM 76 CG1 VAL A 6 14.465 1.575 4.742 1.00 62.02 C ATOM 77 CG2 VAL A 6 13.383 -0.008 3.130 1.00 62.00 C ATOM 0 H VAL A 6 16.306 -1.155 2.142 1.00 42.14 H new ATOM 0 HA VAL A 6 15.392 1.649 2.168 1.00 53.52 H new ATOM 0 HB VAL A 6 15.065 -0.434 4.367 1.00 13.32 H new ATOM 0 HG11 VAL A 6 13.721 1.297 5.488 1.00 62.02 H new ATOM 0 HG12 VAL A 6 15.402 1.823 5.240 1.00 62.02 H new ATOM 0 HG13 VAL A 6 14.111 2.441 4.182 1.00 62.02 H new ATOM 0 HG21 VAL A 6 12.653 -0.264 3.898 1.00 62.00 H new ATOM 0 HG22 VAL A 6 13.001 0.815 2.526 1.00 62.00 H new ATOM 0 HG23 VAL A 6 13.558 -0.875 2.493 1.00 62.00 H new ATOM 87 N SER A 7 17.587 0.146 4.158 1.00 13.14 N ATOM 88 CA SER A 7 18.842 0.338 4.875 1.00 20.22 C ATOM 89 C SER A 7 19.289 -0.958 5.544 1.00 21.51 C ATOM 90 O SER A 7 18.470 -1.823 5.856 1.00 72.21 O ATOM 91 CB SER A 7 18.691 1.441 5.924 1.00 23.15 C ATOM 92 OG SER A 7 19.026 2.708 5.385 1.00 65.54 O ATOM 0 H SER A 7 17.169 -0.776 4.279 1.00 13.14 H new ATOM 0 HA SER A 7 19.603 0.635 4.153 1.00 20.22 H new ATOM 0 HB2 SER A 7 17.665 1.459 6.292 1.00 23.15 H new ATOM 0 HB3 SER A 7 19.333 1.225 6.778 1.00 23.15 H new ATOM 0 HG SER A 7 18.378 2.950 4.691 1.00 65.54 H new ATOM 98 N ILE A 8 20.594 -1.085 5.761 1.00 32.33 N ATOM 99 CA ILE A 8 21.150 -2.275 6.394 1.00 43.31 C ATOM 100 C ILE A 8 21.820 -1.930 7.720 1.00 52.21 C ATOM 101 O ILE A 8 22.345 -0.830 7.894 1.00 32.25 O ATOM 102 CB ILE A 8 22.176 -2.971 5.480 1.00 52.02 C ATOM 103 CG1 ILE A 8 21.591 -3.171 4.080 1.00 10.40 C ATOM 104 CG2 ILE A 8 22.599 -4.304 6.078 1.00 61.21 C ATOM 105 CD1 ILE A 8 20.310 -3.974 4.069 1.00 34.35 C ATOM 0 H ILE A 8 21.286 -0.379 5.508 1.00 32.33 H new ATOM 0 HA ILE A 8 20.317 -2.954 6.576 1.00 43.31 H new ATOM 0 HB ILE A 8 23.058 -2.335 5.398 1.00 52.02 H new ATOM 0 HG12 ILE A 8 21.403 -2.196 3.631 1.00 10.40 H new ATOM 0 HG13 ILE A 8 22.330 -3.672 3.455 1.00 10.40 H new ATOM 0 HG21 ILE A 8 23.324 -4.784 5.421 1.00 61.21 H new ATOM 0 HG22 ILE A 8 23.050 -4.137 7.056 1.00 61.21 H new ATOM 0 HG23 ILE A 8 21.726 -4.948 6.186 1.00 61.21 H new ATOM 0 HD11 ILE A 8 19.953 -4.076 3.044 1.00 34.35 H new ATOM 0 HD12 ILE A 8 20.497 -4.963 4.488 1.00 34.35 H new ATOM 0 HD13 ILE A 8 19.555 -3.463 4.667 1.00 34.35 H new ATOM 117 N SER A 9 21.799 -2.878 8.651 1.00 12.13 N ATOM 118 CA SER A 9 22.402 -2.674 9.963 1.00 22.11 C ATOM 119 C SER A 9 23.718 -3.437 10.080 1.00 21.33 C ATOM 120 O SER A 9 23.734 -4.667 10.125 1.00 71.52 O ATOM 121 CB SER A 9 21.440 -3.121 11.065 1.00 22.54 C ATOM 122 OG SER A 9 20.124 -2.662 10.811 1.00 0.21 O ATOM 0 H SER A 9 21.371 -3.795 8.521 1.00 12.13 H new ATOM 0 HA SER A 9 22.607 -1.610 10.080 1.00 22.11 H new ATOM 0 HB2 SER A 9 21.442 -4.209 11.134 1.00 22.54 H new ATOM 0 HB3 SER A 9 21.782 -2.740 12.027 1.00 22.54 H new ATOM 0 HG SER A 9 19.714 -3.215 10.114 1.00 0.21 H new ATOM 128 N VAL A 10 24.821 -2.698 10.130 1.00 45.33 N ATOM 129 CA VAL A 10 26.143 -3.303 10.243 1.00 41.12 C ATOM 130 C VAL A 10 26.710 -3.126 11.647 1.00 61.41 C ATOM 131 O VAL A 10 26.655 -2.037 12.217 1.00 31.03 O ATOM 132 CB VAL A 10 27.127 -2.697 9.224 1.00 72.31 C ATOM 133 CG1 VAL A 10 27.373 -1.228 9.528 1.00 4.52 C ATOM 134 CG2 VAL A 10 28.434 -3.476 9.218 1.00 12.34 C ATOM 0 H VAL A 10 24.826 -1.679 10.094 1.00 45.33 H new ATOM 0 HA VAL A 10 26.023 -4.366 10.034 1.00 41.12 H new ATOM 0 HB VAL A 10 26.684 -2.768 8.231 1.00 72.31 H new ATOM 0 HG11 VAL A 10 28.070 -0.817 8.798 1.00 4.52 H new ATOM 0 HG12 VAL A 10 26.430 -0.683 9.476 1.00 4.52 H new ATOM 0 HG13 VAL A 10 27.795 -1.129 10.528 1.00 4.52 H new ATOM 0 HG21 VAL A 10 29.117 -3.034 8.493 1.00 12.34 H new ATOM 0 HG22 VAL A 10 28.884 -3.439 10.210 1.00 12.34 H new ATOM 0 HG23 VAL A 10 28.238 -4.513 8.947 1.00 12.34 H new ATOM 144 N SER A 11 27.256 -4.206 12.199 1.00 54.52 N ATOM 145 CA SER A 11 27.830 -4.171 13.539 1.00 65.25 C ATOM 146 C SER A 11 29.330 -4.449 13.493 1.00 0.15 C ATOM 147 O SER A 11 29.807 -5.497 13.929 1.00 75.45 O ATOM 148 CB SER A 11 27.138 -5.195 14.440 1.00 13.11 C ATOM 149 OG SER A 11 27.704 -5.196 15.739 1.00 13.02 O ATOM 0 H SER A 11 27.313 -5.115 11.739 1.00 54.52 H new ATOM 0 HA SER A 11 27.674 -3.173 13.949 1.00 65.25 H new ATOM 0 HB2 SER A 11 26.074 -4.968 14.504 1.00 13.11 H new ATOM 0 HB3 SER A 11 27.226 -6.189 14.001 1.00 13.11 H new ATOM 0 HG SER A 11 28.650 -5.444 15.683 1.00 13.02 H new ATOM 155 N PRO A 12 30.093 -3.487 12.954 1.00 1.30 N ATOM 156 CA PRO A 12 31.550 -3.603 12.839 1.00 52.10 C ATOM 157 C PRO A 12 32.246 -3.531 14.194 1.00 71.42 C ATOM 158 O PRO A 12 31.779 -2.852 15.109 1.00 43.43 O ATOM 159 CB PRO A 12 31.935 -2.399 11.976 1.00 53.32 C ATOM 160 CG PRO A 12 30.846 -1.408 12.201 1.00 15.41 C ATOM 161 CD PRO A 12 29.592 -2.211 12.415 1.00 5.24 C ATOM 0 HA PRO A 12 31.850 -4.562 12.416 1.00 52.10 H new ATOM 0 HB2 PRO A 12 32.904 -1.996 12.269 1.00 53.32 H new ATOM 0 HB3 PRO A 12 32.009 -2.674 10.924 1.00 53.32 H new ATOM 0 HG2 PRO A 12 31.061 -0.782 13.067 1.00 15.41 H new ATOM 0 HG3 PRO A 12 30.741 -0.742 11.344 1.00 15.41 H new ATOM 0 HD2 PRO A 12 28.914 -1.719 13.112 1.00 5.24 H new ATOM 0 HD3 PRO A 12 29.043 -2.355 11.484 1.00 5.24 H new ATOM 169 N THR A 13 33.366 -4.237 14.317 1.00 50.13 N ATOM 170 CA THR A 13 34.126 -4.254 15.560 1.00 1.10 C ATOM 171 C THR A 13 35.510 -3.644 15.367 1.00 53.20 C ATOM 172 O THR A 13 36.347 -4.195 14.654 1.00 41.42 O ATOM 173 CB THR A 13 34.281 -5.686 16.104 1.00 33.55 C ATOM 174 OG1 THR A 13 33.511 -6.597 15.312 1.00 33.42 O ATOM 175 CG2 THR A 13 33.832 -5.765 17.556 1.00 24.00 C ATOM 0 H THR A 13 33.767 -4.805 13.570 1.00 50.13 H new ATOM 0 HA THR A 13 33.566 -3.658 16.280 1.00 1.10 H new ATOM 0 HB THR A 13 35.335 -5.959 16.050 1.00 33.55 H new ATOM 0 HG1 THR A 13 33.616 -7.506 15.663 1.00 33.42 H new ATOM 0 HG21 THR A 13 33.951 -6.786 17.918 1.00 24.00 H new ATOM 0 HG22 THR A 13 34.439 -5.092 18.162 1.00 24.00 H new ATOM 0 HG23 THR A 13 32.784 -5.473 17.629 1.00 24.00 H new ATOM 183 N ASN A 14 35.743 -2.503 16.008 1.00 70.01 N ATOM 184 CA ASN A 14 37.026 -1.818 15.906 1.00 5.04 C ATOM 185 C ASN A 14 37.921 -2.160 17.094 1.00 63.43 C ATOM 186 O ASN A 14 37.642 -1.771 18.227 1.00 34.25 O ATOM 187 CB ASN A 14 36.816 -0.304 15.832 1.00 33.40 C ATOM 188 CG ASN A 14 36.102 0.118 14.563 1.00 40.45 C ATOM 189 OD1 ASN A 14 36.692 0.751 13.686 1.00 23.45 O ATOM 190 ND2 ASN A 14 34.825 -0.230 14.458 1.00 12.20 N ATOM 0 H ASN A 14 35.060 -2.034 16.603 1.00 70.01 H new ATOM 0 HA ASN A 14 37.517 -2.155 14.993 1.00 5.04 H new ATOM 0 HB2 ASN A 14 36.238 0.023 16.697 1.00 33.40 H new ATOM 0 HB3 ASN A 14 37.782 0.197 15.886 1.00 33.40 H new ATOM 0 HD21 ASN A 14 34.293 0.027 13.626 1.00 12.20 H new ATOM 0 HD22 ASN A 14 34.376 -0.754 15.209 1.00 12.20 H new ATOM 197 N SER A 15 38.999 -2.891 16.824 1.00 12.44 N ATOM 198 CA SER A 15 39.934 -3.288 17.871 1.00 74.45 C ATOM 199 C SER A 15 41.143 -4.003 17.275 1.00 31.23 C ATOM 200 O SER A 15 41.333 -4.020 16.059 1.00 44.43 O ATOM 201 CB SER A 15 39.239 -4.197 18.886 1.00 34.31 C ATOM 202 OG SER A 15 39.506 -3.778 20.213 1.00 43.10 O ATOM 0 H SER A 15 39.246 -3.220 15.891 1.00 12.44 H new ATOM 0 HA SER A 15 40.279 -2.387 18.378 1.00 74.45 H new ATOM 0 HB2 SER A 15 38.164 -4.190 18.709 1.00 34.31 H new ATOM 0 HB3 SER A 15 39.578 -5.224 18.751 1.00 34.31 H new ATOM 0 HG SER A 15 39.049 -4.374 20.842 1.00 43.10 H new ATOM 208 N THR A 16 41.959 -4.594 18.142 1.00 22.15 N ATOM 209 CA THR A 16 43.151 -5.310 17.705 1.00 40.32 C ATOM 210 C THR A 16 42.942 -6.818 17.773 1.00 65.25 C ATOM 211 O THR A 16 42.230 -7.318 18.643 1.00 31.20 O ATOM 212 CB THR A 16 44.377 -4.934 18.558 1.00 42.42 C ATOM 213 OG1 THR A 16 44.270 -5.525 19.857 1.00 30.34 O ATOM 214 CG2 THR A 16 44.501 -3.423 18.691 1.00 32.34 C ATOM 0 H THR A 16 41.816 -4.591 19.152 1.00 22.15 H new ATOM 0 HA THR A 16 43.334 -5.017 16.671 1.00 40.32 H new ATOM 0 HB THR A 16 45.269 -5.313 18.059 1.00 42.42 H new ATOM 0 HG1 THR A 16 45.054 -5.282 20.392 1.00 30.34 H new ATOM 0 HG21 THR A 16 45.374 -3.182 19.298 1.00 32.34 H new ATOM 0 HG22 THR A 16 44.612 -2.979 17.702 1.00 32.34 H new ATOM 0 HG23 THR A 16 43.606 -3.025 19.169 1.00 32.34 H new ATOM 222 N VAL A 17 43.569 -7.540 16.849 1.00 42.24 N ATOM 223 CA VAL A 17 43.454 -8.993 16.805 1.00 54.52 C ATOM 224 C VAL A 17 44.813 -9.646 16.583 1.00 42.41 C ATOM 225 O VAL A 17 45.707 -9.052 15.980 1.00 22.33 O ATOM 226 CB VAL A 17 42.491 -9.446 15.691 1.00 11.41 C ATOM 227 CG1 VAL A 17 42.200 -10.934 15.809 1.00 2.02 C ATOM 228 CG2 VAL A 17 41.203 -8.637 15.739 1.00 63.10 C ATOM 0 H VAL A 17 44.162 -7.142 16.121 1.00 42.24 H new ATOM 0 HA VAL A 17 43.056 -9.308 17.770 1.00 54.52 H new ATOM 0 HB VAL A 17 42.969 -9.269 14.727 1.00 11.41 H new ATOM 0 HG11 VAL A 17 41.518 -11.236 15.014 1.00 2.02 H new ATOM 0 HG12 VAL A 17 43.131 -11.495 15.721 1.00 2.02 H new ATOM 0 HG13 VAL A 17 41.742 -11.140 16.777 1.00 2.02 H new ATOM 0 HG21 VAL A 17 40.534 -8.970 14.945 1.00 63.10 H new ATOM 0 HG22 VAL A 17 40.719 -8.780 16.705 1.00 63.10 H new ATOM 0 HG23 VAL A 17 41.432 -7.580 15.601 1.00 63.10 H new ATOM 238 N ALA A 18 44.962 -10.872 17.074 1.00 52.41 N ATOM 239 CA ALA A 18 46.212 -11.607 16.927 1.00 13.11 C ATOM 240 C ALA A 18 46.437 -12.023 15.477 1.00 31.05 C ATOM 241 O ALA A 18 45.492 -12.354 14.761 1.00 34.14 O ATOM 242 CB ALA A 18 46.216 -12.828 17.835 1.00 13.43 C ATOM 0 H ALA A 18 44.232 -11.377 17.577 1.00 52.41 H new ATOM 0 HA ALA A 18 47.029 -10.948 17.219 1.00 13.11 H new ATOM 0 HB1 ALA A 18 47.155 -13.368 17.715 1.00 13.43 H new ATOM 0 HB2 ALA A 18 46.110 -12.510 18.872 1.00 13.43 H new ATOM 0 HB3 ALA A 18 45.385 -13.482 17.569 1.00 13.43 H new ATOM 248 N LYS A 19 47.695 -12.003 15.050 1.00 72.52 N ATOM 249 CA LYS A 19 48.045 -12.379 13.685 1.00 24.13 C ATOM 250 C LYS A 19 47.454 -13.739 13.326 1.00 1.43 C ATOM 251 O LYS A 19 47.424 -14.651 14.151 1.00 12.43 O ATOM 252 CB LYS A 19 49.566 -12.412 13.518 1.00 23.55 C ATOM 253 CG LYS A 19 50.021 -12.329 12.072 1.00 45.32 C ATOM 254 CD LYS A 19 50.704 -13.611 11.627 1.00 71.32 C ATOM 255 CE LYS A 19 51.775 -13.339 10.582 1.00 72.15 C ATOM 256 NZ LYS A 19 53.144 -13.386 11.165 1.00 21.20 N ATOM 0 H LYS A 19 48.489 -11.730 15.629 1.00 72.52 H new ATOM 0 HA LYS A 19 47.627 -11.632 13.010 1.00 24.13 H new ATOM 0 HB2 LYS A 19 50.002 -11.583 14.075 1.00 23.55 H new ATOM 0 HB3 LYS A 19 49.952 -13.331 13.959 1.00 23.55 H new ATOM 0 HG2 LYS A 19 49.162 -12.132 11.430 1.00 45.32 H new ATOM 0 HG3 LYS A 19 50.707 -11.490 11.953 1.00 45.32 H new ATOM 0 HD2 LYS A 19 51.153 -14.104 12.490 1.00 71.32 H new ATOM 0 HD3 LYS A 19 49.962 -14.297 11.219 1.00 71.32 H new ATOM 0 HE2 LYS A 19 51.696 -14.074 9.781 1.00 72.15 H new ATOM 0 HE3 LYS A 19 51.605 -12.360 10.134 1.00 72.15 H new ATOM 0 HZ1 LYS A 19 53.845 -13.196 10.421 1.00 21.20 H new ATOM 0 HZ2 LYS A 19 53.228 -12.667 11.912 1.00 21.20 H new ATOM 0 HZ3 LYS A 19 53.317 -14.328 11.570 1.00 21.20 H new ATOM 270 N GLY A 20 46.986 -13.867 12.088 1.00 31.24 N ATOM 271 CA GLY A 20 46.403 -15.119 11.642 1.00 23.10 C ATOM 272 C GLY A 20 45.156 -15.488 12.421 1.00 63.54 C ATOM 273 O GLY A 20 45.197 -16.351 13.300 1.00 55.55 O ATOM 0 H GLY A 20 47.000 -13.127 11.387 1.00 31.24 H new ATOM 0 HA2 GLY A 20 46.157 -15.045 10.583 1.00 23.10 H new ATOM 0 HA3 GLY A 20 47.140 -15.916 11.743 1.00 23.10 H new ATOM 277 N LEU A 21 44.045 -14.835 12.100 1.00 43.50 N ATOM 278 CA LEU A 21 42.780 -15.098 12.777 1.00 2.41 C ATOM 279 C LEU A 21 41.599 -14.800 11.859 1.00 0.21 C ATOM 280 O LEU A 21 41.750 -14.136 10.834 1.00 62.12 O ATOM 281 CB LEU A 21 42.676 -14.256 14.050 1.00 20.24 C ATOM 282 CG LEU A 21 42.545 -15.034 15.360 1.00 21.32 C ATOM 283 CD1 LEU A 21 43.771 -14.819 16.234 1.00 63.24 C ATOM 284 CD2 LEU A 21 41.281 -14.622 16.101 1.00 24.51 C ATOM 0 H LEU A 21 43.994 -14.119 11.375 1.00 43.50 H new ATOM 0 HA LEU A 21 42.752 -16.154 13.044 1.00 2.41 H new ATOM 0 HB2 LEU A 21 43.559 -13.621 14.115 1.00 20.24 H new ATOM 0 HB3 LEU A 21 41.814 -13.595 13.955 1.00 20.24 H new ATOM 0 HG LEU A 21 42.474 -16.096 15.124 1.00 21.32 H new ATOM 0 HD11 LEU A 21 43.659 -15.380 17.162 1.00 63.24 H new ATOM 0 HD12 LEU A 21 44.660 -15.164 15.706 1.00 63.24 H new ATOM 0 HD13 LEU A 21 43.874 -13.758 16.462 1.00 63.24 H new ATOM 0 HD21 LEU A 21 41.204 -15.186 17.031 1.00 24.51 H new ATOM 0 HD22 LEU A 21 41.322 -13.556 16.325 1.00 24.51 H new ATOM 0 HD23 LEU A 21 40.411 -14.829 15.478 1.00 24.51 H new ATOM 296 N GLN A 22 40.424 -15.293 12.236 1.00 30.41 N ATOM 297 CA GLN A 22 39.217 -15.078 11.447 1.00 71.41 C ATOM 298 C GLN A 22 38.106 -14.479 12.303 1.00 3.11 C ATOM 299 O GLN A 22 37.908 -14.881 13.449 1.00 60.21 O ATOM 300 CB GLN A 22 38.745 -16.395 10.828 1.00 25.51 C ATOM 301 CG GLN A 22 39.838 -17.142 10.080 1.00 3.11 C ATOM 302 CD GLN A 22 39.360 -18.465 9.515 1.00 0.05 C ATOM 303 OE1 GLN A 22 39.201 -18.615 8.304 1.00 53.33 O ATOM 304 NE2 GLN A 22 39.128 -19.434 10.393 1.00 62.20 N ATOM 0 H GLN A 22 40.282 -15.844 13.083 1.00 30.41 H new ATOM 0 HA GLN A 22 39.456 -14.374 10.649 1.00 71.41 H new ATOM 0 HB2 GLN A 22 38.352 -17.037 11.616 1.00 25.51 H new ATOM 0 HB3 GLN A 22 37.922 -16.191 10.143 1.00 25.51 H new ATOM 0 HG2 GLN A 22 40.209 -16.517 9.267 1.00 3.11 H new ATOM 0 HG3 GLN A 22 40.677 -17.321 10.753 1.00 3.11 H new ATOM 0 HE21 GLN A 22 39.273 -19.266 11.388 1.00 62.20 H new ATOM 0 HE22 GLN A 22 38.805 -20.347 10.072 1.00 62.20 H new ATOM 313 N GLU A 23 37.386 -13.515 11.739 1.00 53.32 N ATOM 314 CA GLU A 23 36.296 -12.859 12.452 1.00 32.42 C ATOM 315 C GLU A 23 35.029 -12.830 11.602 1.00 30.11 C ATOM 316 O GLU A 23 35.067 -12.477 10.424 1.00 24.22 O ATOM 317 CB GLU A 23 36.695 -11.434 12.841 1.00 22.41 C ATOM 318 CG GLU A 23 36.351 -11.076 14.277 1.00 73.10 C ATOM 319 CD GLU A 23 35.016 -10.367 14.397 1.00 35.51 C ATOM 320 OE1 GLU A 23 34.790 -9.397 13.644 1.00 1.44 O ATOM 321 OE2 GLU A 23 34.197 -10.783 15.243 1.00 34.02 O ATOM 0 H GLU A 23 37.537 -13.171 10.791 1.00 53.32 H new ATOM 0 HA GLU A 23 36.093 -13.431 13.357 1.00 32.42 H new ATOM 0 HB2 GLU A 23 37.768 -11.313 12.692 1.00 22.41 H new ATOM 0 HB3 GLU A 23 36.199 -10.731 12.171 1.00 22.41 H new ATOM 0 HG2 GLU A 23 36.331 -11.984 14.879 1.00 73.10 H new ATOM 0 HG3 GLU A 23 37.135 -10.439 14.687 1.00 73.10 H new ATOM 328 N ASN A 24 33.907 -13.205 12.209 1.00 44.50 N ATOM 329 CA ASN A 24 32.628 -13.223 11.508 1.00 5.41 C ATOM 330 C ASN A 24 31.967 -11.848 11.548 1.00 60.43 C ATOM 331 O ASN A 24 32.000 -11.161 12.569 1.00 52.15 O ATOM 332 CB ASN A 24 31.698 -14.267 12.128 1.00 1.15 C ATOM 333 CG ASN A 24 31.314 -13.924 13.555 1.00 72.31 C ATOM 334 OD1 ASN A 24 32.149 -13.954 14.459 1.00 42.43 O ATOM 335 ND2 ASN A 24 30.044 -13.597 13.763 1.00 73.30 N ATOM 0 H ASN A 24 33.858 -13.500 13.184 1.00 44.50 H new ATOM 0 HA ASN A 24 32.816 -13.486 10.467 1.00 5.41 H new ATOM 0 HB2 ASN A 24 30.796 -14.352 11.522 1.00 1.15 H new ATOM 0 HB3 ASN A 24 32.187 -15.241 12.110 1.00 1.15 H new ATOM 0 HD21 ASN A 24 29.726 -13.357 14.702 1.00 73.30 H new ATOM 0 HD22 ASN A 24 29.386 -13.585 12.984 1.00 73.30 H new ATOM 342 N PHE A 25 31.366 -11.454 10.430 1.00 65.54 N ATOM 343 CA PHE A 25 30.697 -10.162 10.336 1.00 62.33 C ATOM 344 C PHE A 25 29.213 -10.293 10.665 1.00 70.32 C ATOM 345 O PHE A 25 28.720 -11.388 10.938 1.00 53.12 O ATOM 346 CB PHE A 25 30.870 -9.575 8.933 1.00 23.14 C ATOM 347 CG PHE A 25 31.284 -8.131 8.935 1.00 71.20 C ATOM 348 CD1 PHE A 25 32.449 -7.731 9.569 1.00 31.23 C ATOM 349 CD2 PHE A 25 30.507 -7.174 8.303 1.00 42.25 C ATOM 350 CE1 PHE A 25 32.833 -6.403 9.572 1.00 33.33 C ATOM 351 CE2 PHE A 25 30.886 -5.845 8.302 1.00 40.42 C ATOM 352 CZ PHE A 25 32.049 -5.459 8.939 1.00 45.35 C ATOM 0 H PHE A 25 31.329 -12.011 9.576 1.00 65.54 H new ATOM 0 HA PHE A 25 31.154 -9.490 11.062 1.00 62.33 H new ATOM 0 HB2 PHE A 25 31.616 -10.158 8.393 1.00 23.14 H new ATOM 0 HB3 PHE A 25 29.932 -9.675 8.388 1.00 23.14 H new ATOM 0 HD1 PHE A 25 33.065 -8.465 10.067 1.00 31.23 H new ATOM 0 HD2 PHE A 25 29.595 -7.470 7.806 1.00 42.25 H new ATOM 0 HE1 PHE A 25 33.744 -6.104 10.069 1.00 33.33 H new ATOM 0 HE2 PHE A 25 30.273 -5.109 7.803 1.00 40.42 H new ATOM 0 HZ PHE A 25 32.345 -4.420 8.942 1.00 45.35 H new ATOM 362 N LYS A 26 28.506 -9.169 10.637 1.00 14.14 N ATOM 363 CA LYS A 26 27.078 -9.155 10.932 1.00 74.43 C ATOM 364 C LYS A 26 26.349 -8.148 10.048 1.00 5.40 C ATOM 365 O LYS A 26 26.728 -6.979 9.982 1.00 44.35 O ATOM 366 CB LYS A 26 26.843 -8.820 12.406 1.00 11.13 C ATOM 367 CG LYS A 26 26.229 -9.960 13.199 1.00 32.53 C ATOM 368 CD LYS A 26 24.725 -10.035 12.995 1.00 30.41 C ATOM 369 CE LYS A 26 24.304 -11.388 12.441 1.00 45.02 C ATOM 370 NZ LYS A 26 22.871 -11.401 12.039 1.00 73.22 N ATOM 0 H LYS A 26 28.899 -8.255 10.413 1.00 14.14 H new ATOM 0 HA LYS A 26 26.681 -10.149 10.724 1.00 74.43 H new ATOM 0 HB2 LYS A 26 27.793 -8.542 12.862 1.00 11.13 H new ATOM 0 HB3 LYS A 26 26.190 -7.950 12.472 1.00 11.13 H new ATOM 0 HG2 LYS A 26 26.686 -10.902 12.896 1.00 32.53 H new ATOM 0 HG3 LYS A 26 26.447 -9.826 14.259 1.00 32.53 H new ATOM 0 HD2 LYS A 26 24.219 -9.856 13.944 1.00 30.41 H new ATOM 0 HD3 LYS A 26 24.410 -9.247 12.311 1.00 30.41 H new ATOM 0 HE2 LYS A 26 24.925 -11.637 11.580 1.00 45.02 H new ATOM 0 HE3 LYS A 26 24.477 -12.158 13.193 1.00 45.02 H new ATOM 0 HZ1 LYS A 26 22.623 -12.340 11.667 1.00 73.22 H new ATOM 0 HZ2 LYS A 26 22.277 -11.188 12.866 1.00 73.22 H new ATOM 0 HZ3 LYS A 26 22.710 -10.684 11.303 1.00 73.22 H new ATOM 384 N ALA A 27 25.302 -8.608 9.372 1.00 31.23 N ATOM 385 CA ALA A 27 24.519 -7.746 8.496 1.00 50.02 C ATOM 386 C ALA A 27 23.026 -8.017 8.650 1.00 42.13 C ATOM 387 O ALA A 27 22.553 -9.120 8.374 1.00 13.15 O ATOM 388 CB ALA A 27 24.946 -7.938 7.048 1.00 13.11 C ATOM 0 H ALA A 27 24.976 -9.574 9.414 1.00 31.23 H new ATOM 0 HA ALA A 27 24.705 -6.711 8.784 1.00 50.02 H new ATOM 0 HB1 ALA A 27 24.353 -7.288 6.405 1.00 13.11 H new ATOM 0 HB2 ALA A 27 26.002 -7.687 6.944 1.00 13.11 H new ATOM 0 HB3 ALA A 27 24.790 -8.977 6.757 1.00 13.11 H new ATOM 394 N THR A 28 22.288 -7.004 9.092 1.00 11.41 N ATOM 395 CA THR A 28 20.849 -7.133 9.285 1.00 61.15 C ATOM 396 C THR A 28 20.085 -6.177 8.376 1.00 73.10 C ATOM 397 O THR A 28 20.023 -4.976 8.634 1.00 42.21 O ATOM 398 CB THR A 28 20.451 -6.861 10.748 1.00 63.44 C ATOM 399 OG1 THR A 28 21.624 -6.659 11.545 1.00 74.14 O ATOM 400 CG2 THR A 28 19.642 -8.019 11.312 1.00 14.11 C ATOM 0 H THR A 28 22.663 -6.084 9.323 1.00 11.41 H new ATOM 0 HA THR A 28 20.587 -8.160 9.031 1.00 61.15 H new ATOM 0 HB THR A 28 19.836 -5.962 10.773 1.00 63.44 H new ATOM 0 HG1 THR A 28 21.363 -6.485 12.473 1.00 74.14 H new ATOM 0 HG21 THR A 28 19.372 -7.805 12.346 1.00 14.11 H new ATOM 0 HG22 THR A 28 18.736 -8.152 10.721 1.00 14.11 H new ATOM 0 HG23 THR A 28 20.237 -8.931 11.274 1.00 14.11 H new ATOM 408 N GLY A 29 19.502 -6.719 7.311 1.00 51.14 N ATOM 409 CA GLY A 29 18.748 -5.899 6.380 1.00 22.11 C ATOM 410 C GLY A 29 17.308 -5.708 6.811 1.00 13.33 C ATOM 411 O GLY A 29 16.626 -6.670 7.167 1.00 44.21 O ATOM 0 H GLY A 29 19.538 -7.711 7.076 1.00 51.14 H new ATOM 0 HA2 GLY A 29 19.228 -4.925 6.287 1.00 22.11 H new ATOM 0 HA3 GLY A 29 18.770 -6.361 5.393 1.00 22.11 H new ATOM 415 N ILE A 30 16.843 -4.463 6.782 1.00 63.15 N ATOM 416 CA ILE A 30 15.475 -4.149 7.173 1.00 72.40 C ATOM 417 C ILE A 30 14.758 -3.360 6.082 1.00 22.35 C ATOM 418 O ILE A 30 15.082 -2.200 5.826 1.00 35.32 O ATOM 419 CB ILE A 30 15.435 -3.343 8.485 1.00 62.14 C ATOM 420 CG1 ILE A 30 16.398 -2.157 8.409 1.00 42.44 C ATOM 421 CG2 ILE A 30 15.780 -4.237 9.666 1.00 34.04 C ATOM 422 CD1 ILE A 30 15.755 -0.833 8.758 1.00 51.21 C ATOM 0 H ILE A 30 17.394 -3.656 6.492 1.00 63.15 H new ATOM 0 HA ILE A 30 14.964 -5.100 7.325 1.00 72.40 H new ATOM 0 HB ILE A 30 14.425 -2.959 8.628 1.00 62.14 H new ATOM 0 HG12 ILE A 30 17.234 -2.335 9.085 1.00 42.44 H new ATOM 0 HG13 ILE A 30 16.809 -2.097 7.401 1.00 42.44 H new ATOM 0 HG21 ILE A 30 15.748 -3.653 10.586 1.00 34.04 H new ATOM 0 HG22 ILE A 30 15.059 -5.052 9.728 1.00 34.04 H new ATOM 0 HG23 ILE A 30 16.781 -4.647 9.532 1.00 34.04 H new ATOM 0 HD11 ILE A 30 16.496 -0.037 8.683 1.00 51.21 H new ATOM 0 HD12 ILE A 30 14.936 -0.633 8.067 1.00 51.21 H new ATOM 0 HD13 ILE A 30 15.368 -0.874 9.776 1.00 51.21 H new ATOM 434 N PHE A 31 13.782 -3.997 5.444 1.00 51.31 N ATOM 435 CA PHE A 31 13.018 -3.354 4.381 1.00 72.21 C ATOM 436 C PHE A 31 11.536 -3.292 4.738 1.00 75.24 C ATOM 437 O PHE A 31 11.032 -4.122 5.496 1.00 54.14 O ATOM 438 CB PHE A 31 13.206 -4.107 3.062 1.00 35.22 C ATOM 439 CG PHE A 31 14.641 -4.424 2.752 1.00 35.40 C ATOM 440 CD1 PHE A 31 15.625 -3.462 2.906 1.00 64.21 C ATOM 441 CD2 PHE A 31 15.004 -5.685 2.306 1.00 43.20 C ATOM 442 CE1 PHE A 31 16.947 -3.751 2.622 1.00 50.12 C ATOM 443 CE2 PHE A 31 16.324 -5.979 2.021 1.00 62.43 C ATOM 444 CZ PHE A 31 17.296 -5.011 2.178 1.00 65.04 C ATOM 0 H PHE A 31 13.501 -4.957 5.644 1.00 51.31 H new ATOM 0 HA PHE A 31 13.389 -2.335 4.266 1.00 72.21 H new ATOM 0 HB2 PHE A 31 12.637 -5.036 3.099 1.00 35.22 H new ATOM 0 HB3 PHE A 31 12.790 -3.510 2.250 1.00 35.22 H new ATOM 0 HD1 PHE A 31 15.357 -2.475 3.252 1.00 64.21 H new ATOM 0 HD2 PHE A 31 14.248 -6.446 2.180 1.00 43.20 H new ATOM 0 HE1 PHE A 31 17.705 -2.992 2.747 1.00 50.12 H new ATOM 0 HE2 PHE A 31 16.595 -6.966 1.676 1.00 62.43 H new ATOM 0 HZ PHE A 31 18.328 -5.239 1.954 1.00 65.04 H new ATOM 454 N THR A 32 10.841 -2.302 4.186 1.00 0.20 N ATOM 455 CA THR A 32 9.417 -2.129 4.446 1.00 25.14 C ATOM 456 C THR A 32 8.606 -3.269 3.842 1.00 73.01 C ATOM 457 O THR A 32 7.442 -3.468 4.191 1.00 21.42 O ATOM 458 CB THR A 32 8.902 -0.792 3.883 1.00 54.42 C ATOM 459 OG1 THR A 32 10.002 0.083 3.612 1.00 4.35 O ATOM 460 CG2 THR A 32 7.946 -0.125 4.861 1.00 72.02 C ATOM 0 H THR A 32 11.242 -1.607 3.556 1.00 0.20 H new ATOM 0 HA THR A 32 9.290 -2.131 5.529 1.00 25.14 H new ATOM 0 HB THR A 32 8.365 -0.997 2.957 1.00 54.42 H new ATOM 0 HG1 THR A 32 9.665 0.930 3.253 1.00 4.35 H new ATOM 0 HG21 THR A 32 7.595 0.818 4.441 1.00 72.02 H new ATOM 0 HG22 THR A 32 7.094 -0.781 5.042 1.00 72.02 H new ATOM 0 HG23 THR A 32 8.463 0.066 5.802 1.00 72.02 H new ATOM 468 N ASP A 33 9.227 -4.015 2.935 1.00 55.34 N ATOM 469 CA ASP A 33 8.562 -5.137 2.283 1.00 54.15 C ATOM 470 C ASP A 33 8.590 -6.377 3.171 1.00 2.52 C ATOM 471 O ASP A 33 8.074 -7.430 2.801 1.00 42.14 O ATOM 472 CB ASP A 33 9.227 -5.441 0.940 1.00 63.54 C ATOM 473 CG ASP A 33 10.733 -5.578 1.057 1.00 14.34 C ATOM 474 OD1 ASP A 33 11.202 -6.669 1.443 1.00 35.24 O ATOM 475 OD2 ASP A 33 11.442 -4.593 0.763 1.00 72.33 O ATOM 0 H ASP A 33 10.190 -3.863 2.635 1.00 55.34 H new ATOM 0 HA ASP A 33 7.522 -4.860 2.110 1.00 54.15 H new ATOM 0 HB2 ASP A 33 8.812 -6.363 0.533 1.00 63.54 H new ATOM 0 HB3 ASP A 33 8.991 -4.646 0.233 1.00 63.54 H new ATOM 480 N ASN A 34 9.198 -6.243 4.346 1.00 42.55 N ATOM 481 CA ASN A 34 9.296 -7.352 5.287 1.00 72.43 C ATOM 482 C ASN A 34 9.973 -8.557 4.639 1.00 13.33 C ATOM 483 O ASN A 34 9.764 -9.697 5.054 1.00 14.41 O ATOM 484 CB ASN A 34 7.905 -7.745 5.791 1.00 45.42 C ATOM 485 CG ASN A 34 6.991 -6.546 5.956 1.00 71.24 C ATOM 486 OD1 ASN A 34 6.006 -6.399 5.232 1.00 33.02 O ATOM 487 ND2 ASN A 34 7.314 -5.682 6.911 1.00 62.40 N ATOM 0 H ASN A 34 9.630 -5.377 4.668 1.00 42.55 H new ATOM 0 HA ASN A 34 9.903 -7.027 6.132 1.00 72.43 H new ATOM 0 HB2 ASN A 34 7.454 -8.449 5.092 1.00 45.42 H new ATOM 0 HB3 ASN A 34 8.000 -8.261 6.747 1.00 45.42 H new ATOM 0 HD21 ASN A 34 6.736 -4.856 7.068 1.00 62.40 H new ATOM 0 HD22 ASN A 34 8.140 -5.844 7.487 1.00 62.40 H new ATOM 494 N SER A 35 10.785 -8.295 3.620 1.00 22.14 N ATOM 495 CA SER A 35 11.491 -9.357 2.913 1.00 32.31 C ATOM 496 C SER A 35 12.977 -9.033 2.789 1.00 75.41 C ATOM 497 O SER A 35 13.433 -8.550 1.754 1.00 50.20 O ATOM 498 CB SER A 35 10.884 -9.564 1.524 1.00 64.12 C ATOM 499 OG SER A 35 11.092 -10.890 1.069 1.00 34.22 O ATOM 0 H SER A 35 10.970 -7.357 3.266 1.00 22.14 H new ATOM 0 HA SER A 35 11.385 -10.276 3.489 1.00 32.31 H new ATOM 0 HB2 SER A 35 9.816 -9.350 1.555 1.00 64.12 H new ATOM 0 HB3 SER A 35 11.330 -8.861 0.820 1.00 64.12 H new ATOM 0 HG SER A 35 10.694 -10.997 0.180 1.00 34.22 H new ATOM 505 N ASN A 36 13.726 -9.304 3.853 1.00 73.22 N ATOM 506 CA ASN A 36 15.160 -9.042 3.864 1.00 2.54 C ATOM 507 C ASN A 36 15.943 -10.278 3.433 1.00 2.13 C ATOM 508 O ASN A 36 15.561 -11.406 3.743 1.00 25.44 O ATOM 509 CB ASN A 36 15.608 -8.601 5.260 1.00 71.43 C ATOM 510 CG ASN A 36 15.328 -9.653 6.315 1.00 33.54 C ATOM 511 OD1 ASN A 36 16.025 -10.664 6.401 1.00 63.21 O ATOM 512 ND2 ASN A 36 14.302 -9.420 7.126 1.00 50.33 N ATOM 0 H ASN A 36 13.364 -9.705 4.718 1.00 73.22 H new ATOM 0 HA ASN A 36 15.363 -8.240 3.154 1.00 2.54 H new ATOM 0 HB2 ASN A 36 16.676 -8.382 5.244 1.00 71.43 H new ATOM 0 HB3 ASN A 36 15.097 -7.676 5.528 1.00 71.43 H new ATOM 0 HD21 ASN A 36 14.066 -10.093 7.855 1.00 50.33 H new ATOM 0 HD22 ASN A 36 13.751 -8.568 7.019 1.00 50.33 H new ATOM 519 N SER A 37 17.041 -10.057 2.717 1.00 54.42 N ATOM 520 CA SER A 37 17.876 -11.153 2.240 1.00 2.51 C ATOM 521 C SER A 37 19.333 -10.940 2.642 1.00 15.21 C ATOM 522 O SER A 37 19.729 -9.837 3.020 1.00 60.31 O ATOM 523 CB SER A 37 17.768 -11.280 0.719 1.00 4.24 C ATOM 524 OG SER A 37 16.624 -12.029 0.350 1.00 31.52 O ATOM 0 H SER A 37 17.373 -9.129 2.455 1.00 54.42 H new ATOM 0 HA SER A 37 17.521 -12.075 2.700 1.00 2.51 H new ATOM 0 HB2 SER A 37 17.717 -10.288 0.271 1.00 4.24 H new ATOM 0 HB3 SER A 37 18.664 -11.761 0.327 1.00 4.24 H new ATOM 0 HG SER A 37 16.577 -12.094 -0.627 1.00 31.52 H new ATOM 530 N ASP A 38 20.124 -12.003 2.558 1.00 61.33 N ATOM 531 CA ASP A 38 21.537 -11.935 2.911 1.00 2.42 C ATOM 532 C ASP A 38 22.364 -11.404 1.744 1.00 2.23 C ATOM 533 O ASP A 38 22.324 -11.952 0.642 1.00 13.14 O ATOM 534 CB ASP A 38 22.048 -13.314 3.329 1.00 62.54 C ATOM 535 CG ASP A 38 21.646 -14.401 2.351 1.00 40.14 C ATOM 536 OD1 ASP A 38 22.411 -14.653 1.396 1.00 52.12 O ATOM 537 OD2 ASP A 38 20.567 -15.000 2.540 1.00 11.45 O ATOM 0 H ASP A 38 19.811 -12.923 2.248 1.00 61.33 H new ATOM 0 HA ASP A 38 21.643 -11.248 3.750 1.00 2.42 H new ATOM 0 HB2 ASP A 38 23.135 -13.286 3.411 1.00 62.54 H new ATOM 0 HB3 ASP A 38 21.660 -13.558 4.318 1.00 62.54 H new ATOM 542 N ILE A 39 23.112 -10.334 1.994 1.00 71.20 N ATOM 543 CA ILE A 39 23.948 -9.730 0.964 1.00 12.11 C ATOM 544 C ILE A 39 23.273 -9.797 -0.401 1.00 74.25 C ATOM 545 O ILE A 39 23.899 -10.152 -1.400 1.00 64.53 O ATOM 546 CB ILE A 39 25.323 -10.419 0.879 1.00 14.20 C ATOM 547 CG1 ILE A 39 25.154 -11.905 0.555 1.00 14.34 C ATOM 548 CG2 ILE A 39 26.087 -10.239 2.182 1.00 11.41 C ATOM 549 CD1 ILE A 39 26.429 -12.570 0.088 1.00 21.20 C ATOM 0 H ILE A 39 23.156 -9.868 2.900 1.00 71.20 H new ATOM 0 HA ILE A 39 24.091 -8.687 1.245 1.00 12.11 H new ATOM 0 HB ILE A 39 25.897 -9.955 0.077 1.00 14.20 H new ATOM 0 HG12 ILE A 39 24.788 -12.422 1.442 1.00 14.34 H new ATOM 0 HG13 ILE A 39 24.392 -12.016 -0.217 1.00 14.34 H new ATOM 0 HG21 ILE A 39 27.056 -10.731 2.106 1.00 11.41 H new ATOM 0 HG22 ILE A 39 26.234 -9.176 2.374 1.00 11.41 H new ATOM 0 HG23 ILE A 39 25.519 -10.680 3.001 1.00 11.41 H new ATOM 0 HD11 ILE A 39 26.235 -13.621 -0.123 1.00 21.20 H new ATOM 0 HD12 ILE A 39 26.786 -12.078 -0.817 1.00 21.20 H new ATOM 0 HD13 ILE A 39 27.187 -12.491 0.867 1.00 21.20 H new ATOM 561 N THR A 40 21.989 -9.452 -0.439 1.00 3.41 N ATOM 562 CA THR A 40 21.228 -9.472 -1.682 1.00 3.24 C ATOM 563 C THR A 40 21.849 -8.547 -2.722 1.00 4.32 C ATOM 564 O THR A 40 21.749 -8.792 -3.924 1.00 31.40 O ATOM 565 CB THR A 40 19.763 -9.055 -1.450 1.00 65.41 C ATOM 566 OG1 THR A 40 19.507 -8.926 -0.047 1.00 74.43 O ATOM 567 CG2 THR A 40 18.809 -10.075 -2.054 1.00 2.31 C ATOM 0 H THR A 40 21.455 -9.155 0.378 1.00 3.41 H new ATOM 0 HA THR A 40 21.252 -10.497 -2.051 1.00 3.24 H new ATOM 0 HB THR A 40 19.599 -8.094 -1.938 1.00 65.41 H new ATOM 0 HG1 THR A 40 19.831 -8.056 0.266 1.00 74.43 H new ATOM 0 HG21 THR A 40 17.780 -9.760 -1.878 1.00 2.31 H new ATOM 0 HG22 THR A 40 18.987 -10.149 -3.127 1.00 2.31 H new ATOM 0 HG23 THR A 40 18.975 -11.047 -1.590 1.00 2.31 H new ATOM 575 N ASP A 41 22.492 -7.483 -2.252 1.00 54.12 N ATOM 576 CA ASP A 41 23.131 -6.521 -3.143 1.00 22.25 C ATOM 577 C ASP A 41 24.608 -6.854 -3.331 1.00 1.22 C ATOM 578 O ASP A 41 25.353 -6.088 -3.941 1.00 51.34 O ATOM 579 CB ASP A 41 22.982 -5.103 -2.589 1.00 35.43 C ATOM 580 CG ASP A 41 22.237 -4.186 -3.539 1.00 35.42 C ATOM 581 OD1 ASP A 41 21.032 -4.422 -3.767 1.00 51.14 O ATOM 582 OD2 ASP A 41 22.858 -3.234 -4.054 1.00 44.24 O ATOM 0 H ASP A 41 22.584 -7.265 -1.260 1.00 54.12 H new ATOM 0 HA ASP A 41 22.637 -6.577 -4.113 1.00 22.25 H new ATOM 0 HB2 ASP A 41 22.453 -5.142 -1.637 1.00 35.43 H new ATOM 0 HB3 ASP A 41 23.970 -4.689 -2.389 1.00 35.43 H new ATOM 587 N GLN A 42 25.024 -8.000 -2.801 1.00 54.14 N ATOM 588 CA GLN A 42 26.412 -8.432 -2.910 1.00 71.11 C ATOM 589 C GLN A 42 27.294 -7.685 -1.915 1.00 60.21 C ATOM 590 O GLN A 42 28.077 -8.293 -1.185 1.00 62.44 O ATOM 591 CB GLN A 42 26.927 -8.210 -4.333 1.00 62.41 C ATOM 592 CG GLN A 42 27.860 -9.308 -4.820 1.00 53.34 C ATOM 593 CD GLN A 42 28.130 -9.225 -6.310 1.00 31.32 C ATOM 594 OE1 GLN A 42 27.961 -8.172 -6.926 1.00 22.53 O ATOM 595 NE2 GLN A 42 28.552 -10.339 -6.898 1.00 1.44 N ATOM 0 H GLN A 42 24.420 -8.645 -2.292 1.00 54.14 H new ATOM 0 HA GLN A 42 26.454 -9.496 -2.678 1.00 71.11 H new ATOM 0 HB2 GLN A 42 26.077 -8.139 -5.011 1.00 62.41 H new ATOM 0 HB3 GLN A 42 27.450 -7.254 -4.377 1.00 62.41 H new ATOM 0 HG2 GLN A 42 28.804 -9.244 -4.279 1.00 53.34 H new ATOM 0 HG3 GLN A 42 27.425 -10.280 -4.587 1.00 53.34 H new ATOM 0 HE21 GLN A 42 28.678 -11.189 -6.349 1.00 1.44 H new ATOM 0 HE22 GLN A 42 28.750 -10.344 -7.899 1.00 1.44 H new ATOM 604 N VAL A 43 27.162 -6.363 -1.891 1.00 40.31 N ATOM 605 CA VAL A 43 27.947 -5.532 -0.985 1.00 74.41 C ATOM 606 C VAL A 43 29.424 -5.556 -1.359 1.00 24.12 C ATOM 607 O VAL A 43 30.015 -6.622 -1.538 1.00 74.01 O ATOM 608 CB VAL A 43 27.790 -5.994 0.476 1.00 4.31 C ATOM 609 CG1 VAL A 43 28.369 -4.958 1.428 1.00 51.10 C ATOM 610 CG2 VAL A 43 26.328 -6.265 0.795 1.00 30.12 C ATOM 0 H VAL A 43 26.519 -5.844 -2.489 1.00 40.31 H new ATOM 0 HA VAL A 43 27.569 -4.514 -1.079 1.00 74.41 H new ATOM 0 HB VAL A 43 28.344 -6.923 0.607 1.00 4.31 H new ATOM 0 HG11 VAL A 43 28.249 -5.301 2.456 1.00 51.10 H new ATOM 0 HG12 VAL A 43 29.428 -4.818 1.213 1.00 51.10 H new ATOM 0 HG13 VAL A 43 27.845 -4.011 1.298 1.00 51.10 H new ATOM 0 HG21 VAL A 43 26.236 -6.590 1.831 1.00 30.12 H new ATOM 0 HG22 VAL A 43 25.749 -5.354 0.648 1.00 30.12 H new ATOM 0 HG23 VAL A 43 25.950 -7.046 0.135 1.00 30.12 H new ATOM 620 N THR A 44 30.019 -4.373 -1.475 1.00 1.44 N ATOM 621 CA THR A 44 31.428 -4.257 -1.828 1.00 3.44 C ATOM 622 C THR A 44 32.297 -4.112 -0.583 1.00 73.32 C ATOM 623 O THR A 44 32.065 -3.234 0.248 1.00 22.52 O ATOM 624 CB THR A 44 31.678 -3.053 -2.756 1.00 74.11 C ATOM 625 OG1 THR A 44 30.488 -2.747 -3.491 1.00 54.41 O ATOM 626 CG2 THR A 44 32.816 -3.342 -3.723 1.00 24.14 C ATOM 0 H THR A 44 29.546 -3.481 -1.329 1.00 1.44 H new ATOM 0 HA THR A 44 31.698 -5.174 -2.353 1.00 3.44 H new ATOM 0 HB THR A 44 31.955 -2.198 -2.139 1.00 74.11 H new ATOM 0 HG1 THR A 44 30.654 -1.980 -4.077 1.00 54.41 H new ATOM 0 HG21 THR A 44 32.974 -2.478 -4.368 1.00 24.14 H new ATOM 0 HG22 THR A 44 33.727 -3.547 -3.161 1.00 24.14 H new ATOM 0 HG23 THR A 44 32.563 -4.209 -4.334 1.00 24.14 H new ATOM 634 N TRP A 45 33.296 -4.978 -0.462 1.00 24.02 N ATOM 635 CA TRP A 45 34.200 -4.946 0.682 1.00 5.23 C ATOM 636 C TRP A 45 35.646 -4.769 0.229 1.00 34.24 C ATOM 637 O TRP A 45 35.994 -5.092 -0.907 1.00 15.24 O ATOM 638 CB TRP A 45 34.063 -6.229 1.503 1.00 25.20 C ATOM 639 CG TRP A 45 34.064 -7.472 0.666 1.00 64.50 C ATOM 640 CD1 TRP A 45 32.985 -8.245 0.345 1.00 40.04 C ATOM 641 CD2 TRP A 45 35.199 -8.087 0.046 1.00 61.12 C ATOM 642 NE1 TRP A 45 33.380 -9.303 -0.438 1.00 44.00 N ATOM 643 CE2 TRP A 45 34.734 -9.228 -0.636 1.00 73.34 C ATOM 644 CE3 TRP A 45 36.562 -7.784 -0.001 1.00 43.44 C ATOM 645 CZ2 TRP A 45 35.584 -10.064 -1.354 1.00 65.45 C ATOM 646 CZ3 TRP A 45 37.405 -8.615 -0.714 1.00 44.33 C ATOM 647 CH2 TRP A 45 36.914 -9.743 -1.384 1.00 24.54 C ATOM 0 H TRP A 45 33.501 -5.711 -1.141 1.00 24.02 H new ATOM 0 HA TRP A 45 33.927 -4.094 1.305 1.00 5.23 H new ATOM 0 HB2 TRP A 45 34.882 -6.282 2.221 1.00 25.20 H new ATOM 0 HB3 TRP A 45 33.138 -6.187 2.078 1.00 25.20 H new ATOM 0 HD1 TRP A 45 31.970 -8.053 0.660 1.00 40.04 H new ATOM 0 HE1 TRP A 45 32.765 -10.026 -0.811 1.00 44.00 H new ATOM 0 HE3 TRP A 45 36.950 -6.916 0.511 1.00 43.44 H new ATOM 0 HZ2 TRP A 45 35.207 -10.935 -1.869 1.00 65.45 H new ATOM 0 HZ3 TRP A 45 38.461 -8.391 -0.755 1.00 44.33 H new ATOM 0 HH2 TRP A 45 37.598 -10.371 -1.935 1.00 24.54 H new ATOM 658 N ASP A 46 36.483 -4.256 1.124 1.00 52.30 N ATOM 659 CA ASP A 46 37.891 -4.038 0.816 1.00 44.41 C ATOM 660 C ASP A 46 38.744 -4.127 2.078 1.00 53.30 C ATOM 661 O ASP A 46 38.311 -3.730 3.160 1.00 24.32 O ATOM 662 CB ASP A 46 38.085 -2.674 0.150 1.00 33.31 C ATOM 663 CG ASP A 46 39.276 -2.652 -0.788 1.00 14.32 C ATOM 664 OD1 ASP A 46 39.258 -3.401 -1.787 1.00 44.54 O ATOM 665 OD2 ASP A 46 40.224 -1.885 -0.523 1.00 5.33 O ATOM 0 H ASP A 46 36.211 -3.983 2.068 1.00 52.30 H new ATOM 0 HA ASP A 46 38.211 -4.819 0.127 1.00 44.41 H new ATOM 0 HB2 ASP A 46 37.184 -2.413 -0.405 1.00 33.31 H new ATOM 0 HB3 ASP A 46 38.218 -1.913 0.919 1.00 33.31 H new ATOM 670 N SER A 47 39.956 -4.651 1.931 1.00 4.32 N ATOM 671 CA SER A 47 40.868 -4.797 3.060 1.00 11.41 C ATOM 672 C SER A 47 42.225 -4.175 2.746 1.00 24.20 C ATOM 673 O SER A 47 42.652 -4.139 1.592 1.00 53.42 O ATOM 674 CB SER A 47 41.041 -6.275 3.416 1.00 52.55 C ATOM 675 OG SER A 47 41.246 -6.444 4.807 1.00 14.35 O ATOM 0 H SER A 47 40.330 -4.982 1.041 1.00 4.32 H new ATOM 0 HA SER A 47 40.437 -4.274 3.913 1.00 11.41 H new ATOM 0 HB2 SER A 47 40.158 -6.833 3.105 1.00 52.55 H new ATOM 0 HB3 SER A 47 41.888 -6.688 2.868 1.00 52.55 H new ATOM 0 HG SER A 47 41.954 -5.838 5.109 1.00 14.35 H new ATOM 681 N SER A 48 42.900 -3.687 3.782 1.00 32.33 N ATOM 682 CA SER A 48 44.208 -3.063 3.618 1.00 35.41 C ATOM 683 C SER A 48 45.146 -3.969 2.826 1.00 54.24 C ATOM 684 O SER A 48 44.909 -5.170 2.702 1.00 50.42 O ATOM 685 CB SER A 48 44.820 -2.746 4.984 1.00 52.13 C ATOM 686 OG SER A 48 46.193 -2.418 4.863 1.00 1.11 O ATOM 0 H SER A 48 42.563 -3.712 4.744 1.00 32.33 H new ATOM 0 HA SER A 48 44.074 -2.134 3.064 1.00 35.41 H new ATOM 0 HB2 SER A 48 44.283 -1.915 5.443 1.00 52.13 H new ATOM 0 HB3 SER A 48 44.705 -3.604 5.646 1.00 52.13 H new ATOM 0 HG SER A 48 46.561 -2.218 5.749 1.00 1.11 H new ATOM 692 N ASN A 49 46.212 -3.383 2.291 1.00 52.52 N ATOM 693 CA ASN A 49 47.186 -4.135 1.509 1.00 24.23 C ATOM 694 C ASN A 49 48.541 -4.163 2.211 1.00 61.24 C ATOM 695 O ASN A 49 49.586 -4.253 1.565 1.00 71.12 O ATOM 696 CB ASN A 49 47.334 -3.524 0.114 1.00 2.15 C ATOM 697 CG ASN A 49 45.996 -3.292 -0.560 1.00 12.12 C ATOM 698 OD1 ASN A 49 45.500 -2.166 -0.609 1.00 34.34 O ATOM 699 ND2 ASN A 49 45.405 -4.359 -1.084 1.00 34.42 N ATOM 0 H ASN A 49 46.423 -2.390 2.385 1.00 52.52 H new ATOM 0 HA ASN A 49 46.825 -5.159 1.412 1.00 24.23 H new ATOM 0 HB2 ASN A 49 47.869 -2.577 0.190 1.00 2.15 H new ATOM 0 HB3 ASN A 49 47.941 -4.184 -0.506 1.00 2.15 H new ATOM 0 HD21 ASN A 49 44.503 -4.265 -1.551 1.00 34.42 H new ATOM 0 HD22 ASN A 49 45.853 -5.273 -1.020 1.00 34.42 H new ATOM 706 N THR A 50 48.516 -4.086 3.538 1.00 62.14 N ATOM 707 CA THR A 50 49.741 -4.102 4.327 1.00 20.02 C ATOM 708 C THR A 50 50.623 -5.287 3.950 1.00 11.12 C ATOM 709 O THR A 50 51.648 -5.124 3.289 1.00 62.05 O ATOM 710 CB THR A 50 49.436 -4.163 5.836 1.00 61.11 C ATOM 711 OG1 THR A 50 48.122 -4.691 6.049 1.00 24.22 O ATOM 712 CG2 THR A 50 49.542 -2.782 6.466 1.00 75.34 C ATOM 0 H THR A 50 47.661 -4.012 4.089 1.00 62.14 H new ATOM 0 HA THR A 50 50.270 -3.175 4.108 1.00 20.02 H new ATOM 0 HB THR A 50 50.170 -4.817 6.307 1.00 61.11 H new ATOM 0 HG1 THR A 50 47.702 -4.228 6.803 1.00 24.22 H new ATOM 0 HG21 THR A 50 49.322 -2.850 7.531 1.00 75.34 H new ATOM 0 HG22 THR A 50 50.552 -2.395 6.328 1.00 75.34 H new ATOM 0 HG23 THR A 50 48.828 -2.110 5.991 1.00 75.34 H new ATOM 720 N ASP A 51 50.217 -6.479 4.374 1.00 4.45 N ATOM 721 CA ASP A 51 50.970 -7.692 4.079 1.00 24.24 C ATOM 722 C ASP A 51 50.114 -8.688 3.304 1.00 60.04 C ATOM 723 O ASP A 51 50.521 -9.185 2.253 1.00 21.32 O ATOM 724 CB ASP A 51 51.474 -8.333 5.374 1.00 75.12 C ATOM 725 CG ASP A 51 52.839 -8.972 5.211 1.00 74.21 C ATOM 726 OD1 ASP A 51 53.839 -8.227 5.144 1.00 32.12 O ATOM 727 OD2 ASP A 51 52.907 -10.217 5.151 1.00 72.51 O ATOM 0 H ASP A 51 49.371 -6.631 4.923 1.00 4.45 H new ATOM 0 HA ASP A 51 51.825 -7.418 3.462 1.00 24.24 H new ATOM 0 HB2 ASP A 51 51.522 -7.575 6.156 1.00 75.12 H new ATOM 0 HB3 ASP A 51 50.760 -9.087 5.704 1.00 75.12 H new ATOM 732 N ILE A 52 48.928 -8.975 3.828 1.00 15.03 N ATOM 733 CA ILE A 52 48.014 -9.911 3.185 1.00 64.32 C ATOM 734 C ILE A 52 46.658 -9.924 3.882 1.00 3.20 C ATOM 735 O ILE A 52 46.551 -10.307 5.048 1.00 74.13 O ATOM 736 CB ILE A 52 48.588 -11.341 3.176 1.00 53.31 C ATOM 737 CG1 ILE A 52 47.571 -12.317 2.581 1.00 64.50 C ATOM 738 CG2 ILE A 52 48.976 -11.764 4.585 1.00 71.44 C ATOM 739 CD1 ILE A 52 47.142 -11.961 1.175 1.00 15.43 C ATOM 0 H ILE A 52 48.577 -8.573 4.697 1.00 15.03 H new ATOM 0 HA ILE A 52 47.887 -9.572 2.157 1.00 64.32 H new ATOM 0 HB ILE A 52 49.483 -11.355 2.554 1.00 53.31 H new ATOM 0 HG12 ILE A 52 48.000 -13.319 2.578 1.00 64.50 H new ATOM 0 HG13 ILE A 52 46.691 -12.349 3.224 1.00 64.50 H new ATOM 0 HG21 ILE A 52 49.380 -12.776 4.563 1.00 71.44 H new ATOM 0 HG22 ILE A 52 49.730 -11.081 4.975 1.00 71.44 H new ATOM 0 HG23 ILE A 52 48.096 -11.738 5.228 1.00 71.44 H new ATOM 0 HD11 ILE A 52 46.421 -12.696 0.818 1.00 15.43 H new ATOM 0 HD12 ILE A 52 46.683 -10.972 1.174 1.00 15.43 H new ATOM 0 HD13 ILE A 52 48.012 -11.958 0.519 1.00 15.43 H new ATOM 751 N LEU A 53 45.625 -9.504 3.161 1.00 53.21 N ATOM 752 CA LEU A 53 44.273 -9.468 3.709 1.00 23.21 C ATOM 753 C LEU A 53 43.276 -10.093 2.739 1.00 34.44 C ATOM 754 O LEU A 53 43.218 -9.722 1.567 1.00 11.13 O ATOM 755 CB LEU A 53 43.866 -8.027 4.020 1.00 55.04 C ATOM 756 CG LEU A 53 44.545 -7.383 5.228 1.00 3.43 C ATOM 757 CD1 LEU A 53 44.418 -8.277 6.452 1.00 51.22 C ATOM 758 CD2 LEU A 53 46.009 -7.094 4.926 1.00 34.12 C ATOM 0 H LEU A 53 45.697 -9.183 2.195 1.00 53.21 H new ATOM 0 HA LEU A 53 44.265 -10.048 4.632 1.00 23.21 H new ATOM 0 HB2 LEU A 53 44.074 -7.415 3.143 1.00 55.04 H new ATOM 0 HB3 LEU A 53 42.788 -8.001 4.178 1.00 55.04 H new ATOM 0 HG LEU A 53 44.045 -6.438 5.440 1.00 3.43 H new ATOM 0 HD11 LEU A 53 44.907 -7.802 7.302 1.00 51.22 H new ATOM 0 HD12 LEU A 53 43.364 -8.433 6.681 1.00 51.22 H new ATOM 0 HD13 LEU A 53 44.892 -9.238 6.251 1.00 51.22 H new ATOM 0 HD21 LEU A 53 46.477 -6.636 5.797 1.00 34.12 H new ATOM 0 HD22 LEU A 53 46.522 -8.026 4.687 1.00 34.12 H new ATOM 0 HD23 LEU A 53 46.078 -6.414 4.077 1.00 34.12 H new ATOM 770 N SER A 54 42.490 -11.043 3.237 1.00 21.21 N ATOM 771 CA SER A 54 41.495 -11.721 2.414 1.00 22.24 C ATOM 772 C SER A 54 40.181 -11.880 3.172 1.00 14.11 C ATOM 773 O SER A 54 40.121 -12.557 4.199 1.00 63.33 O ATOM 774 CB SER A 54 42.013 -13.092 1.977 1.00 64.54 C ATOM 775 OG SER A 54 42.202 -13.142 0.573 1.00 72.20 O ATOM 0 H SER A 54 42.523 -11.360 4.206 1.00 21.21 H new ATOM 0 HA SER A 54 41.313 -11.110 1.530 1.00 22.24 H new ATOM 0 HB2 SER A 54 42.955 -13.306 2.482 1.00 64.54 H new ATOM 0 HB3 SER A 54 41.306 -13.865 2.280 1.00 64.54 H new ATOM 0 HG SER A 54 42.535 -14.028 0.319 1.00 72.20 H new ATOM 781 N ILE A 55 39.129 -11.251 2.658 1.00 3.53 N ATOM 782 CA ILE A 55 37.815 -11.322 3.285 1.00 22.20 C ATOM 783 C ILE A 55 36.732 -11.634 2.258 1.00 65.54 C ATOM 784 O ILE A 55 36.632 -10.972 1.225 1.00 4.32 O ATOM 785 CB ILE A 55 37.462 -10.007 4.003 1.00 15.43 C ATOM 786 CG1 ILE A 55 38.484 -9.709 5.102 1.00 43.24 C ATOM 787 CG2 ILE A 55 36.058 -10.082 4.585 1.00 11.33 C ATOM 788 CD1 ILE A 55 39.657 -8.880 4.627 1.00 50.34 C ATOM 0 H ILE A 55 39.161 -10.687 1.809 1.00 3.53 H new ATOM 0 HA ILE A 55 37.859 -12.127 4.019 1.00 22.20 H new ATOM 0 HB ILE A 55 37.491 -9.195 3.276 1.00 15.43 H new ATOM 0 HG12 ILE A 55 37.986 -9.185 5.918 1.00 43.24 H new ATOM 0 HG13 ILE A 55 38.855 -10.650 5.507 1.00 43.24 H new ATOM 0 HG21 ILE A 55 35.823 -9.145 5.090 1.00 11.33 H new ATOM 0 HG22 ILE A 55 35.340 -10.252 3.783 1.00 11.33 H new ATOM 0 HG23 ILE A 55 36.004 -10.903 5.300 1.00 11.33 H new ATOM 0 HD11 ILE A 55 40.341 -8.707 5.458 1.00 50.34 H new ATOM 0 HD12 ILE A 55 40.180 -9.411 3.831 1.00 50.34 H new ATOM 0 HD13 ILE A 55 39.297 -7.923 4.249 1.00 50.34 H new ATOM 800 N SER A 56 35.922 -12.647 2.549 1.00 64.21 N ATOM 801 CA SER A 56 34.847 -13.049 1.649 1.00 23.25 C ATOM 802 C SER A 56 33.502 -13.028 2.368 1.00 34.31 C ATOM 803 O SER A 56 33.320 -13.692 3.387 1.00 32.55 O ATOM 804 CB SER A 56 35.118 -14.447 1.090 1.00 72.12 C ATOM 805 OG SER A 56 35.214 -14.421 -0.324 1.00 11.32 O ATOM 0 H SER A 56 35.990 -13.204 3.401 1.00 64.21 H new ATOM 0 HA SER A 56 34.810 -12.337 0.825 1.00 23.25 H new ATOM 0 HB2 SER A 56 36.043 -14.838 1.513 1.00 72.12 H new ATOM 0 HB3 SER A 56 34.318 -15.124 1.391 1.00 72.12 H new ATOM 0 HG SER A 56 35.389 -15.326 -0.657 1.00 11.32 H new ATOM 811 N ASN A 57 32.561 -12.260 1.828 1.00 43.12 N ATOM 812 CA ASN A 57 31.232 -12.151 2.417 1.00 54.12 C ATOM 813 C ASN A 57 30.168 -12.680 1.460 1.00 54.44 C ATOM 814 O ASN A 57 29.081 -12.112 1.348 1.00 24.01 O ATOM 815 CB ASN A 57 30.929 -10.696 2.780 1.00 44.44 C ATOM 816 CG ASN A 57 32.083 -10.028 3.503 1.00 64.52 C ATOM 817 OD1 ASN A 57 32.941 -10.699 4.078 1.00 41.03 O ATOM 818 ND2 ASN A 57 32.109 -8.701 3.477 1.00 22.04 N ATOM 0 H ASN A 57 32.695 -11.704 0.983 1.00 43.12 H new ATOM 0 HA ASN A 57 31.213 -12.756 3.324 1.00 54.12 H new ATOM 0 HB2 ASN A 57 30.701 -10.138 1.872 1.00 44.44 H new ATOM 0 HB3 ASN A 57 30.040 -10.659 3.409 1.00 44.44 H new ATOM 0 HD21 ASN A 57 32.861 -8.196 3.946 1.00 22.04 H new ATOM 0 HD22 ASN A 57 31.377 -8.186 2.988 1.00 22.04 H new ATOM 825 N ALA A 58 30.488 -13.770 0.771 1.00 21.34 N ATOM 826 CA ALA A 58 29.560 -14.377 -0.174 1.00 75.31 C ATOM 827 C ALA A 58 29.027 -15.705 0.355 1.00 42.13 C ATOM 828 O ALA A 58 27.987 -16.189 -0.090 1.00 55.24 O ATOM 829 CB ALA A 58 30.235 -14.577 -1.523 1.00 12.11 C ATOM 0 H ALA A 58 31.384 -14.251 0.850 1.00 21.34 H new ATOM 0 HA ALA A 58 28.715 -13.700 -0.300 1.00 75.31 H new ATOM 0 HB1 ALA A 58 29.530 -15.031 -2.219 1.00 12.11 H new ATOM 0 HB2 ALA A 58 30.560 -13.613 -1.914 1.00 12.11 H new ATOM 0 HB3 ALA A 58 31.099 -15.230 -1.404 1.00 12.11 H new ATOM 835 N SER A 59 29.748 -16.289 1.306 1.00 21.51 N ATOM 836 CA SER A 59 29.350 -17.564 1.892 1.00 23.03 C ATOM 837 C SER A 59 27.928 -17.490 2.440 1.00 4.44 C ATOM 838 O SER A 59 27.138 -18.419 2.276 1.00 64.53 O ATOM 839 CB SER A 59 30.319 -17.961 3.008 1.00 11.21 C ATOM 840 OG SER A 59 31.193 -18.992 2.582 1.00 14.12 O ATOM 0 H SER A 59 30.610 -15.900 1.687 1.00 21.51 H new ATOM 0 HA SER A 59 29.380 -18.321 1.108 1.00 23.03 H new ATOM 0 HB2 SER A 59 30.900 -17.092 3.316 1.00 11.21 H new ATOM 0 HB3 SER A 59 29.757 -18.294 3.881 1.00 11.21 H new ATOM 0 HG SER A 59 31.803 -19.226 3.312 1.00 14.12 H new ATOM 846 N ASP A 60 27.610 -16.377 3.093 1.00 41.04 N ATOM 847 CA ASP A 60 26.283 -16.179 3.665 1.00 64.02 C ATOM 848 C ASP A 60 26.115 -14.747 4.163 1.00 55.04 C ATOM 849 O ASP A 60 26.929 -13.875 3.862 1.00 42.52 O ATOM 850 CB ASP A 60 26.048 -17.162 4.812 1.00 33.24 C ATOM 851 CG ASP A 60 24.673 -17.800 4.755 1.00 5.14 C ATOM 852 OD1 ASP A 60 23.759 -17.185 4.169 1.00 74.33 O ATOM 853 OD2 ASP A 60 24.513 -18.913 5.298 1.00 34.24 O ATOM 0 H ASP A 60 28.253 -15.599 3.239 1.00 41.04 H new ATOM 0 HA ASP A 60 25.546 -16.362 2.883 1.00 64.02 H new ATOM 0 HB2 ASP A 60 26.809 -17.942 4.780 1.00 33.24 H new ATOM 0 HB3 ASP A 60 26.165 -16.641 5.763 1.00 33.24 H new ATOM 858 N SER A 61 25.051 -14.512 4.925 1.00 61.33 N ATOM 859 CA SER A 61 24.772 -13.185 5.460 1.00 4.13 C ATOM 860 C SER A 61 26.007 -12.605 6.144 1.00 13.12 C ATOM 861 O SER A 61 26.382 -11.457 5.904 1.00 12.22 O ATOM 862 CB SER A 61 23.608 -13.246 6.451 1.00 52.44 C ATOM 863 OG SER A 61 23.830 -12.383 7.552 1.00 12.34 O ATOM 0 H SER A 61 24.368 -15.224 5.185 1.00 61.33 H new ATOM 0 HA SER A 61 24.499 -12.535 4.629 1.00 4.13 H new ATOM 0 HB2 SER A 61 22.682 -12.967 5.947 1.00 52.44 H new ATOM 0 HB3 SER A 61 23.482 -14.269 6.806 1.00 52.44 H new ATOM 0 HG SER A 61 23.071 -12.439 8.170 1.00 12.34 H new ATOM 869 N HIS A 62 26.634 -13.407 6.998 1.00 64.40 N ATOM 870 CA HIS A 62 27.827 -12.975 7.717 1.00 24.14 C ATOM 871 C HIS A 62 29.073 -13.138 6.851 1.00 11.23 C ATOM 872 O HIS A 62 29.222 -14.132 6.142 1.00 4.20 O ATOM 873 CB HIS A 62 27.985 -13.773 9.012 1.00 13.33 C ATOM 874 CG HIS A 62 28.434 -15.185 8.795 1.00 12.12 C ATOM 875 ND1 HIS A 62 29.665 -15.696 8.559 1.00 73.53 N flip ATOM 876 CD2 HIS A 62 27.570 -16.259 8.806 1.00 34.20 C flip ATOM 877 CE1 HIS A 62 29.523 -17.056 8.434 1.00 12.33 C flip ATOM 878 NE2 HIS A 62 28.250 -17.371 8.587 1.00 65.32 N flip ATOM 0 H HIS A 62 26.336 -14.359 7.209 1.00 64.40 H new ATOM 0 HA HIS A 62 27.711 -11.919 7.961 1.00 24.14 H new ATOM 0 HB2 HIS A 62 28.704 -13.267 9.655 1.00 13.33 H new ATOM 0 HB3 HIS A 62 27.033 -13.781 9.543 1.00 13.33 H new ATOM 0 HD2 HIS A 62 26.504 -16.201 8.968 1.00 34.20 H new ATOM 0 HE1 HIS A 62 30.323 -17.755 8.242 1.00 12.33 H new ATOM 0 HE2 HIS A 62 27.858 -18.312 8.544 1.00 65.32 H new ATOM 886 N GLY A 63 29.964 -12.153 6.914 1.00 25.31 N ATOM 887 CA GLY A 63 31.185 -12.206 6.130 1.00 34.43 C ATOM 888 C GLY A 63 32.376 -12.674 6.943 1.00 51.51 C ATOM 889 O GLY A 63 32.615 -12.183 8.047 1.00 12.41 O ATOM 0 H GLY A 63 29.862 -11.320 7.493 1.00 25.31 H new ATOM 0 HA2 GLY A 63 31.041 -12.877 5.283 1.00 34.43 H new ATOM 0 HA3 GLY A 63 31.394 -11.217 5.721 1.00 34.43 H new ATOM 893 N LEU A 64 33.125 -13.626 6.398 1.00 41.52 N ATOM 894 CA LEU A 64 34.298 -14.161 7.080 1.00 10.14 C ATOM 895 C LEU A 64 35.556 -13.395 6.684 1.00 52.31 C ATOM 896 O LEU A 64 36.021 -13.491 5.549 1.00 65.31 O ATOM 897 CB LEU A 64 34.468 -15.646 6.755 1.00 11.03 C ATOM 898 CG LEU A 64 34.397 -16.021 5.275 1.00 63.43 C ATOM 899 CD1 LEU A 64 35.440 -17.077 4.941 1.00 32.13 C ATOM 900 CD2 LEU A 64 33.003 -16.514 4.915 1.00 10.23 C ATOM 0 H LEU A 64 32.941 -14.043 5.486 1.00 41.52 H new ATOM 0 HA LEU A 64 34.148 -14.045 8.153 1.00 10.14 H new ATOM 0 HB2 LEU A 64 35.430 -15.975 7.147 1.00 11.03 H new ATOM 0 HB3 LEU A 64 33.699 -16.205 7.288 1.00 11.03 H new ATOM 0 HG LEU A 64 34.609 -15.130 4.684 1.00 63.43 H new ATOM 0 HD11 LEU A 64 35.374 -17.331 3.883 1.00 32.13 H new ATOM 0 HD12 LEU A 64 36.435 -16.688 5.160 1.00 32.13 H new ATOM 0 HD13 LEU A 64 35.259 -17.969 5.541 1.00 32.13 H new ATOM 0 HD21 LEU A 64 32.972 -16.776 3.857 1.00 10.23 H new ATOM 0 HD22 LEU A 64 32.762 -17.392 5.514 1.00 10.23 H new ATOM 0 HD23 LEU A 64 32.276 -15.727 5.115 1.00 10.23 H new ATOM 912 N ALA A 65 36.102 -12.635 7.628 1.00 60.22 N ATOM 913 CA ALA A 65 37.308 -11.856 7.378 1.00 3.14 C ATOM 914 C ALA A 65 38.544 -12.571 7.913 1.00 63.30 C ATOM 915 O ALA A 65 38.601 -12.941 9.086 1.00 74.02 O ATOM 916 CB ALA A 65 37.183 -10.475 8.004 1.00 4.15 C ATOM 0 H ALA A 65 35.728 -12.542 8.572 1.00 60.22 H new ATOM 0 HA ALA A 65 37.422 -11.745 6.300 1.00 3.14 H new ATOM 0 HB1 ALA A 65 38.091 -9.904 7.810 1.00 4.15 H new ATOM 0 HB2 ALA A 65 36.328 -9.956 7.572 1.00 4.15 H new ATOM 0 HB3 ALA A 65 37.041 -10.575 9.080 1.00 4.15 H new ATOM 922 N SER A 66 39.533 -12.764 7.045 1.00 14.02 N ATOM 923 CA SER A 66 40.766 -13.440 7.429 1.00 4.45 C ATOM 924 C SER A 66 41.979 -12.557 7.150 1.00 51.14 C ATOM 925 O SER A 66 42.193 -12.115 6.020 1.00 2.33 O ATOM 926 CB SER A 66 40.902 -14.765 6.678 1.00 21.31 C ATOM 927 OG SER A 66 42.254 -15.186 6.626 1.00 3.01 O ATOM 0 H SER A 66 39.504 -12.461 6.071 1.00 14.02 H new ATOM 0 HA SER A 66 40.723 -13.641 8.499 1.00 4.45 H new ATOM 0 HB2 SER A 66 40.299 -15.529 7.169 1.00 21.31 H new ATOM 0 HB3 SER A 66 40.513 -14.654 5.666 1.00 21.31 H new ATOM 0 HG SER A 66 42.314 -16.036 6.142 1.00 3.01 H new ATOM 933 N THR A 67 42.771 -12.304 8.187 1.00 51.30 N ATOM 934 CA THR A 67 43.961 -11.473 8.055 1.00 64.40 C ATOM 935 C THR A 67 45.218 -12.249 8.433 1.00 33.53 C ATOM 936 O THR A 67 45.153 -13.235 9.170 1.00 2.50 O ATOM 937 CB THR A 67 43.867 -10.212 8.934 1.00 52.01 C ATOM 938 OG1 THR A 67 45.134 -9.546 8.973 1.00 31.23 O ATOM 939 CG2 THR A 67 43.431 -10.569 10.347 1.00 4.42 C ATOM 0 H THR A 67 42.610 -12.663 9.128 1.00 51.30 H new ATOM 0 HA THR A 67 44.022 -11.174 7.009 1.00 64.40 H new ATOM 0 HB THR A 67 43.122 -9.547 8.498 1.00 52.01 H new ATOM 0 HG1 THR A 67 45.698 -9.956 9.662 1.00 31.23 H new ATOM 0 HG21 THR A 67 43.372 -9.663 10.949 1.00 4.42 H new ATOM 0 HG22 THR A 67 42.453 -11.049 10.316 1.00 4.42 H new ATOM 0 HG23 THR A 67 44.156 -11.252 10.790 1.00 4.42 H new ATOM 947 N LEU A 68 46.360 -11.800 7.926 1.00 62.01 N ATOM 948 CA LEU A 68 47.633 -12.452 8.212 1.00 63.54 C ATOM 949 C LEU A 68 48.801 -11.507 7.948 1.00 71.14 C ATOM 950 O LEU A 68 49.807 -11.898 7.358 1.00 43.34 O ATOM 951 CB LEU A 68 47.783 -13.716 7.362 1.00 3.14 C ATOM 952 CG LEU A 68 48.469 -14.903 8.040 1.00 4.41 C ATOM 953 CD1 LEU A 68 47.566 -16.126 8.016 1.00 24.14 C ATOM 954 CD2 LEU A 68 49.799 -15.206 7.366 1.00 44.12 C ATOM 0 H LEU A 68 46.431 -10.987 7.314 1.00 62.01 H new ATOM 0 HA LEU A 68 47.643 -12.727 9.267 1.00 63.54 H new ATOM 0 HB2 LEU A 68 46.791 -14.032 7.038 1.00 3.14 H new ATOM 0 HB3 LEU A 68 48.346 -13.461 6.464 1.00 3.14 H new ATOM 0 HG LEU A 68 48.663 -14.641 9.080 1.00 4.41 H new ATOM 0 HD11 LEU A 68 48.071 -16.961 8.503 1.00 24.14 H new ATOM 0 HD12 LEU A 68 46.639 -15.904 8.545 1.00 24.14 H new ATOM 0 HD13 LEU A 68 47.340 -16.391 6.983 1.00 24.14 H new ATOM 0 HD21 LEU A 68 50.273 -16.053 7.861 1.00 44.12 H new ATOM 0 HD22 LEU A 68 49.629 -15.448 6.317 1.00 44.12 H new ATOM 0 HD23 LEU A 68 50.449 -14.334 7.436 1.00 44.12 H new ATOM 966 N ASN A 69 48.659 -10.262 8.391 1.00 65.11 N ATOM 967 CA ASN A 69 49.703 -9.261 8.204 1.00 64.01 C ATOM 968 C ASN A 69 50.335 -8.878 9.539 1.00 64.32 C ATOM 969 O ASN A 69 49.852 -9.271 10.600 1.00 12.01 O ATOM 970 CB ASN A 69 49.130 -8.017 7.523 1.00 12.31 C ATOM 971 CG ASN A 69 48.111 -7.301 8.390 1.00 64.24 C ATOM 972 OD1 ASN A 69 47.138 -7.901 8.846 1.00 12.50 O ATOM 973 ND2 ASN A 69 48.332 -6.012 8.620 1.00 63.11 N ATOM 0 H ASN A 69 47.832 -9.922 8.882 1.00 65.11 H new ATOM 0 HA ASN A 69 50.475 -9.692 7.567 1.00 64.01 H new ATOM 0 HB2 ASN A 69 49.942 -7.332 7.281 1.00 12.31 H new ATOM 0 HB3 ASN A 69 48.664 -8.304 6.581 1.00 12.31 H new ATOM 0 HD21 ASN A 69 47.681 -5.478 9.196 1.00 63.11 H new ATOM 0 HD22 ASN A 69 49.153 -5.556 8.221 1.00 63.11 H new ATOM 980 N GLN A 70 51.418 -8.109 9.476 1.00 33.51 N ATOM 981 CA GLN A 70 52.115 -7.674 10.680 1.00 5.10 C ATOM 982 C GLN A 70 52.144 -6.152 10.772 1.00 43.21 C ATOM 983 O GLN A 70 53.195 -5.530 10.620 1.00 62.53 O ATOM 984 CB GLN A 70 53.542 -8.225 10.695 1.00 5.34 C ATOM 985 CG GLN A 70 53.609 -9.743 10.663 1.00 71.02 C ATOM 986 CD GLN A 70 55.026 -10.262 10.523 1.00 23.33 C ATOM 987 OE1 GLN A 70 55.899 -9.942 11.331 1.00 62.52 O ATOM 988 NE2 GLN A 70 55.263 -11.069 9.495 1.00 2.32 N ATOM 0 H GLN A 70 51.831 -7.775 8.605 1.00 33.51 H new ATOM 0 HA GLN A 70 51.574 -8.062 11.543 1.00 5.10 H new ATOM 0 HB2 GLN A 70 54.085 -7.828 9.837 1.00 5.34 H new ATOM 0 HB3 GLN A 70 54.052 -7.866 11.589 1.00 5.34 H new ATOM 0 HG2 GLN A 70 53.169 -10.142 11.577 1.00 71.02 H new ATOM 0 HG3 GLN A 70 53.007 -10.112 9.832 1.00 71.02 H new ATOM 0 HE21 GLN A 70 54.510 -11.308 8.850 1.00 2.32 H new ATOM 0 HE22 GLN A 70 56.198 -11.450 9.351 1.00 2.32 H new ATOM 997 N GLY A 71 50.982 -5.557 11.022 1.00 52.42 N ATOM 998 CA GLY A 71 50.896 -4.112 11.129 1.00 1.11 C ATOM 999 C GLY A 71 49.491 -3.636 11.439 1.00 12.04 C ATOM 1000 O GLY A 71 48.993 -3.832 12.547 1.00 14.50 O ATOM 0 H GLY A 71 50.098 -6.050 11.152 1.00 52.42 H new ATOM 0 HA2 GLY A 71 51.574 -3.768 11.910 1.00 1.11 H new ATOM 0 HA3 GLY A 71 51.231 -3.661 10.195 1.00 1.11 H new ATOM 1004 N ASN A 72 48.850 -3.007 10.459 1.00 65.52 N ATOM 1005 CA ASN A 72 47.494 -2.500 10.634 1.00 45.14 C ATOM 1006 C ASN A 72 46.601 -2.923 9.471 1.00 3.52 C ATOM 1007 O ASN A 72 47.076 -3.136 8.355 1.00 33.55 O ATOM 1008 CB ASN A 72 47.510 -0.974 10.751 1.00 31.42 C ATOM 1009 CG ASN A 72 47.595 -0.291 9.400 1.00 64.30 C ATOM 1010 OD1 ASN A 72 46.576 0.008 8.778 1.00 43.41 O ATOM 1011 ND2 ASN A 72 48.816 -0.042 8.939 1.00 32.05 N ATOM 0 H ASN A 72 49.248 -2.836 9.536 1.00 65.52 H new ATOM 0 HA ASN A 72 47.089 -2.924 11.553 1.00 45.14 H new ATOM 0 HB2 ASN A 72 46.609 -0.642 11.266 1.00 31.42 H new ATOM 0 HB3 ASN A 72 48.358 -0.668 11.364 1.00 31.42 H new ATOM 0 HD21 ASN A 72 48.936 0.415 8.035 1.00 32.05 H new ATOM 0 HD22 ASN A 72 49.633 -0.308 9.489 1.00 32.05 H new ATOM 1018 N VAL A 73 45.305 -3.040 9.740 1.00 31.45 N ATOM 1019 CA VAL A 73 44.344 -3.436 8.717 1.00 4.43 C ATOM 1020 C VAL A 73 43.098 -2.559 8.766 1.00 70.03 C ATOM 1021 O VAL A 73 42.609 -2.215 9.842 1.00 54.22 O ATOM 1022 CB VAL A 73 43.928 -4.910 8.877 1.00 3.15 C ATOM 1023 CG1 VAL A 73 43.082 -5.358 7.695 1.00 3.44 C ATOM 1024 CG2 VAL A 73 45.155 -5.796 9.031 1.00 5.43 C ATOM 0 H VAL A 73 44.896 -2.866 10.658 1.00 31.45 H new ATOM 0 HA VAL A 73 44.837 -3.309 7.753 1.00 4.43 H new ATOM 0 HB VAL A 73 43.325 -5.003 9.780 1.00 3.15 H new ATOM 0 HG11 VAL A 73 42.798 -6.402 7.826 1.00 3.44 H new ATOM 0 HG12 VAL A 73 42.185 -4.742 7.636 1.00 3.44 H new ATOM 0 HG13 VAL A 73 43.657 -5.251 6.775 1.00 3.44 H new ATOM 0 HG21 VAL A 73 44.842 -6.834 9.143 1.00 5.43 H new ATOM 0 HG22 VAL A 73 45.786 -5.700 8.147 1.00 5.43 H new ATOM 0 HG23 VAL A 73 45.717 -5.489 9.913 1.00 5.43 H new ATOM 1034 N LYS A 74 42.588 -2.201 7.593 1.00 55.35 N ATOM 1035 CA LYS A 74 41.396 -1.365 7.499 1.00 62.20 C ATOM 1036 C LYS A 74 40.360 -1.997 6.576 1.00 74.24 C ATOM 1037 O LYS A 74 40.526 -2.011 5.356 1.00 63.11 O ATOM 1038 CB LYS A 74 41.765 0.030 6.990 1.00 63.13 C ATOM 1039 CG LYS A 74 40.652 1.050 7.150 1.00 13.33 C ATOM 1040 CD LYS A 74 41.203 2.459 7.295 1.00 32.14 C ATOM 1041 CE LYS A 74 41.388 2.837 8.757 1.00 41.11 C ATOM 1042 NZ LYS A 74 42.573 3.717 8.956 1.00 15.42 N ATOM 0 H LYS A 74 42.981 -2.477 6.693 1.00 55.35 H new ATOM 0 HA LYS A 74 40.964 -1.278 8.496 1.00 62.20 H new ATOM 0 HB2 LYS A 74 42.648 0.381 7.525 1.00 63.13 H new ATOM 0 HB3 LYS A 74 42.036 -0.037 5.936 1.00 63.13 H new ATOM 0 HG2 LYS A 74 39.989 1.005 6.286 1.00 13.33 H new ATOM 0 HG3 LYS A 74 40.052 0.801 8.025 1.00 13.33 H new ATOM 0 HD2 LYS A 74 42.158 2.533 6.775 1.00 32.14 H new ATOM 0 HD3 LYS A 74 40.525 3.167 6.818 1.00 32.14 H new ATOM 0 HE2 LYS A 74 40.493 3.345 9.117 1.00 41.11 H new ATOM 0 HE3 LYS A 74 41.503 1.933 9.354 1.00 41.11 H new ATOM 0 HZ1 LYS A 74 42.665 3.952 9.965 1.00 15.42 H new ATOM 0 HZ2 LYS A 74 43.430 3.223 8.636 1.00 15.42 H new ATOM 0 HZ3 LYS A 74 42.452 4.591 8.406 1.00 15.42 H new ATOM 1056 N VAL A 75 39.288 -2.518 7.165 1.00 61.50 N ATOM 1057 CA VAL A 75 38.223 -3.150 6.395 1.00 40.51 C ATOM 1058 C VAL A 75 37.012 -2.231 6.277 1.00 40.03 C ATOM 1059 O VAL A 75 36.398 -1.862 7.278 1.00 35.43 O ATOM 1060 CB VAL A 75 37.783 -4.481 7.032 1.00 63.24 C ATOM 1061 CG1 VAL A 75 36.818 -5.218 6.116 1.00 62.33 C ATOM 1062 CG2 VAL A 75 38.995 -5.345 7.349 1.00 14.14 C ATOM 0 H VAL A 75 39.134 -2.515 8.173 1.00 61.50 H new ATOM 0 HA VAL A 75 38.625 -3.347 5.401 1.00 40.51 H new ATOM 0 HB VAL A 75 37.265 -4.264 7.966 1.00 63.24 H new ATOM 0 HG11 VAL A 75 36.518 -6.156 6.583 1.00 62.33 H new ATOM 0 HG12 VAL A 75 35.937 -4.600 5.943 1.00 62.33 H new ATOM 0 HG13 VAL A 75 37.307 -5.426 5.164 1.00 62.33 H new ATOM 0 HG21 VAL A 75 38.666 -6.282 7.799 1.00 14.14 H new ATOM 0 HG22 VAL A 75 39.542 -5.556 6.430 1.00 14.14 H new ATOM 0 HG23 VAL A 75 39.646 -4.817 8.046 1.00 14.14 H new ATOM 1072 N THR A 76 36.672 -1.864 5.045 1.00 44.12 N ATOM 1073 CA THR A 76 35.535 -0.988 4.795 1.00 40.34 C ATOM 1074 C THR A 76 34.558 -1.622 3.811 1.00 44.32 C ATOM 1075 O THR A 76 34.966 -2.237 2.826 1.00 4.30 O ATOM 1076 CB THR A 76 35.988 0.377 4.243 1.00 0.31 C ATOM 1077 OG1 THR A 76 36.849 0.188 3.114 1.00 13.53 O ATOM 1078 CG2 THR A 76 36.715 1.179 5.313 1.00 55.04 C ATOM 0 H THR A 76 37.169 -2.160 4.205 1.00 44.12 H new ATOM 0 HA THR A 76 35.036 -0.837 5.752 1.00 40.34 H new ATOM 0 HB THR A 76 35.102 0.932 3.935 1.00 0.31 H new ATOM 0 HG1 THR A 76 37.131 1.060 2.768 1.00 13.53 H new ATOM 0 HG21 THR A 76 37.025 2.139 4.900 1.00 55.04 H new ATOM 0 HG22 THR A 76 36.048 1.346 6.158 1.00 55.04 H new ATOM 0 HG23 THR A 76 37.593 0.627 5.648 1.00 55.04 H new ATOM 1086 N ALA A 77 33.267 -1.467 4.084 1.00 71.44 N ATOM 1087 CA ALA A 77 32.232 -2.023 3.220 1.00 1.23 C ATOM 1088 C ALA A 77 30.981 -1.151 3.231 1.00 4.54 C ATOM 1089 O ALA A 77 30.580 -0.638 4.276 1.00 52.21 O ATOM 1090 CB ALA A 77 31.892 -3.442 3.650 1.00 31.13 C ATOM 0 H ALA A 77 32.913 -0.961 4.896 1.00 71.44 H new ATOM 0 HA ALA A 77 32.618 -2.046 2.201 1.00 1.23 H new ATOM 0 HB1 ALA A 77 31.118 -3.845 2.996 1.00 31.13 H new ATOM 0 HB2 ALA A 77 32.783 -4.066 3.584 1.00 31.13 H new ATOM 0 HB3 ALA A 77 31.530 -3.434 4.678 1.00 31.13 H new ATOM 1096 N SER A 78 30.370 -0.986 2.063 1.00 41.44 N ATOM 1097 CA SER A 78 29.167 -0.171 1.937 1.00 21.13 C ATOM 1098 C SER A 78 28.047 -0.957 1.262 1.00 0.22 C ATOM 1099 O SER A 78 28.283 -1.700 0.309 1.00 53.42 O ATOM 1100 CB SER A 78 29.467 1.100 1.140 1.00 72.53 C ATOM 1101 OG SER A 78 28.655 2.177 1.573 1.00 2.24 O ATOM 0 H SER A 78 30.688 -1.406 1.190 1.00 41.44 H new ATOM 0 HA SER A 78 28.839 0.107 2.939 1.00 21.13 H new ATOM 0 HB2 SER A 78 30.518 1.365 1.254 1.00 72.53 H new ATOM 0 HB3 SER A 78 29.297 0.916 0.079 1.00 72.53 H new ATOM 0 HG SER A 78 28.867 2.978 1.049 1.00 2.24 H new ATOM 1107 N ILE A 79 26.828 -0.787 1.764 1.00 44.13 N ATOM 1108 CA ILE A 79 25.671 -1.479 1.209 1.00 4.42 C ATOM 1109 C ILE A 79 24.478 -0.538 1.082 1.00 72.25 C ATOM 1110 O ILE A 79 24.027 0.046 2.066 1.00 53.35 O ATOM 1111 CB ILE A 79 25.269 -2.686 2.076 1.00 73.31 C ATOM 1112 CG1 ILE A 79 24.003 -3.341 1.520 1.00 73.41 C ATOM 1113 CG2 ILE A 79 25.058 -2.255 3.520 1.00 63.33 C ATOM 1114 CD1 ILE A 79 24.136 -3.789 0.081 1.00 22.32 C ATOM 0 H ILE A 79 26.616 -0.177 2.553 1.00 44.13 H new ATOM 0 HA ILE A 79 25.959 -1.833 0.219 1.00 4.42 H new ATOM 0 HB ILE A 79 26.076 -3.418 2.050 1.00 73.31 H new ATOM 0 HG12 ILE A 79 23.748 -4.202 2.138 1.00 73.41 H new ATOM 0 HG13 ILE A 79 23.175 -2.636 1.598 1.00 73.41 H new ATOM 0 HG21 ILE A 79 24.774 -3.120 4.120 1.00 63.33 H new ATOM 0 HG22 ILE A 79 25.982 -1.829 3.911 1.00 63.33 H new ATOM 0 HG23 ILE A 79 24.266 -1.507 3.564 1.00 63.33 H new ATOM 0 HD11 ILE A 79 23.201 -4.244 -0.246 1.00 22.32 H new ATOM 0 HD12 ILE A 79 24.361 -2.928 -0.549 1.00 22.32 H new ATOM 0 HD13 ILE A 79 24.942 -4.518 -0.000 1.00 22.32 H new ATOM 1126 N GLY A 80 23.969 -0.398 -0.139 1.00 61.40 N ATOM 1127 CA GLY A 80 22.831 0.471 -0.373 1.00 71.22 C ATOM 1128 C GLY A 80 23.042 1.865 0.184 1.00 72.24 C ATOM 1129 O GLY A 80 23.889 2.613 -0.302 1.00 52.30 O ATOM 0 H GLY A 80 24.325 -0.871 -0.970 1.00 61.40 H new ATOM 0 HA2 GLY A 80 22.642 0.536 -1.444 1.00 71.22 H new ATOM 0 HA3 GLY A 80 21.943 0.032 0.082 1.00 71.22 H new ATOM 1133 N GLY A 81 22.267 2.216 1.206 1.00 62.31 N ATOM 1134 CA GLY A 81 22.388 3.529 1.811 1.00 14.21 C ATOM 1135 C GLY A 81 23.322 3.534 3.005 1.00 51.23 C ATOM 1136 O GLY A 81 24.231 4.361 3.086 1.00 31.11 O ATOM 0 H GLY A 81 21.558 1.614 1.625 1.00 62.31 H new ATOM 0 HA2 GLY A 81 22.752 4.237 1.066 1.00 14.21 H new ATOM 0 HA3 GLY A 81 21.402 3.874 2.123 1.00 14.21 H new ATOM 1140 N ILE A 82 23.098 2.611 3.933 1.00 34.14 N ATOM 1141 CA ILE A 82 23.926 2.513 5.128 1.00 24.05 C ATOM 1142 C ILE A 82 25.323 2.003 4.789 1.00 52.13 C ATOM 1143 O ILE A 82 25.503 1.249 3.833 1.00 34.53 O ATOM 1144 CB ILE A 82 23.293 1.581 6.178 1.00 20.21 C ATOM 1145 CG1 ILE A 82 21.821 1.940 6.389 1.00 12.21 C ATOM 1146 CG2 ILE A 82 24.058 1.664 7.491 1.00 53.23 C ATOM 1147 CD1 ILE A 82 21.605 3.371 6.830 1.00 4.01 C ATOM 0 H ILE A 82 22.350 1.920 3.880 1.00 34.14 H new ATOM 0 HA ILE A 82 23.999 3.518 5.543 1.00 24.05 H new ATOM 0 HB ILE A 82 23.349 0.556 5.812 1.00 20.21 H new ATOM 0 HG12 ILE A 82 21.277 1.769 5.460 1.00 12.21 H new ATOM 0 HG13 ILE A 82 21.395 1.270 7.136 1.00 12.21 H new ATOM 0 HG21 ILE A 82 23.598 1.000 8.223 1.00 53.23 H new ATOM 0 HG22 ILE A 82 25.093 1.364 7.329 1.00 53.23 H new ATOM 0 HG23 ILE A 82 24.031 2.688 7.864 1.00 53.23 H new ATOM 0 HD11 ILE A 82 20.538 3.555 6.960 1.00 4.01 H new ATOM 0 HD12 ILE A 82 22.121 3.542 7.775 1.00 4.01 H new ATOM 0 HD13 ILE A 82 22.000 4.049 6.073 1.00 4.01 H new ATOM 1159 N GLN A 83 26.307 2.419 5.579 1.00 43.43 N ATOM 1160 CA GLN A 83 27.688 2.003 5.362 1.00 51.42 C ATOM 1161 C GLN A 83 28.289 1.424 6.638 1.00 34.41 C ATOM 1162 O GLN A 83 27.823 1.709 7.741 1.00 62.15 O ATOM 1163 CB GLN A 83 28.529 3.186 4.880 1.00 43.44 C ATOM 1164 CG GLN A 83 28.506 4.375 5.826 1.00 2.44 C ATOM 1165 CD GLN A 83 29.843 5.086 5.904 1.00 63.21 C ATOM 1166 OE1 GLN A 83 30.888 4.452 6.057 1.00 50.14 O ATOM 1167 NE2 GLN A 83 29.818 6.409 5.799 1.00 52.23 N ATOM 0 H GLN A 83 26.174 3.043 6.375 1.00 43.43 H new ATOM 0 HA GLN A 83 27.691 1.227 4.596 1.00 51.42 H new ATOM 0 HB2 GLN A 83 29.560 2.858 4.747 1.00 43.44 H new ATOM 0 HB3 GLN A 83 28.167 3.504 3.902 1.00 43.44 H new ATOM 0 HG2 GLN A 83 27.742 5.080 5.498 1.00 2.44 H new ATOM 0 HG3 GLN A 83 28.220 4.036 6.822 1.00 2.44 H new ATOM 0 HE21 GLN A 83 28.930 6.894 5.673 1.00 52.23 H new ATOM 0 HE22 GLN A 83 30.687 6.941 5.844 1.00 52.23 H new ATOM 1176 N GLY A 84 29.326 0.607 6.480 1.00 31.23 N ATOM 1177 CA GLY A 84 29.973 -0.001 7.628 1.00 0.24 C ATOM 1178 C GLY A 84 31.473 0.218 7.632 1.00 51.03 C ATOM 1179 O GLY A 84 32.104 0.256 6.575 1.00 11.04 O ATOM 0 H GLY A 84 29.729 0.355 5.578 1.00 31.23 H new ATOM 0 HA2 GLY A 84 29.546 0.412 8.542 1.00 0.24 H new ATOM 0 HA3 GLY A 84 29.765 -1.071 7.634 1.00 0.24 H new ATOM 1183 N SER A 85 32.046 0.364 8.822 1.00 15.13 N ATOM 1184 CA SER A 85 33.480 0.586 8.958 1.00 3.14 C ATOM 1185 C SER A 85 34.018 -0.092 10.215 1.00 0.30 C ATOM 1186 O SER A 85 33.418 -0.006 11.287 1.00 72.20 O ATOM 1187 CB SER A 85 33.784 2.085 9.004 1.00 32.11 C ATOM 1188 OG SER A 85 32.740 2.797 9.645 1.00 52.31 O ATOM 0 H SER A 85 31.539 0.332 9.706 1.00 15.13 H new ATOM 0 HA SER A 85 33.974 0.149 8.090 1.00 3.14 H new ATOM 0 HB2 SER A 85 34.722 2.253 9.534 1.00 32.11 H new ATOM 0 HB3 SER A 85 33.918 2.463 7.991 1.00 32.11 H new ATOM 0 HG SER A 85 32.959 3.752 9.663 1.00 52.31 H new ATOM 1194 N THR A 86 35.155 -0.767 10.075 1.00 10.45 N ATOM 1195 CA THR A 86 35.774 -1.461 11.197 1.00 5.43 C ATOM 1196 C THR A 86 37.291 -1.303 11.172 1.00 75.22 C ATOM 1197 O THR A 86 37.886 -1.111 10.112 1.00 44.32 O ATOM 1198 CB THR A 86 35.425 -2.961 11.192 1.00 44.13 C ATOM 1199 OG1 THR A 86 36.266 -3.663 12.114 1.00 1.11 O ATOM 1200 CG2 THR A 86 35.590 -3.550 9.799 1.00 51.43 C ATOM 0 H THR A 86 35.665 -0.848 9.196 1.00 10.45 H new ATOM 0 HA THR A 86 35.379 -1.007 12.106 1.00 5.43 H new ATOM 0 HB THR A 86 34.384 -3.070 11.495 1.00 44.13 H new ATOM 0 HG1 THR A 86 35.753 -3.888 12.918 1.00 1.11 H new ATOM 0 HG21 THR A 86 35.338 -4.610 9.820 1.00 51.43 H new ATOM 0 HG22 THR A 86 34.927 -3.033 9.105 1.00 51.43 H new ATOM 0 HG23 THR A 86 36.623 -3.429 9.473 1.00 51.43 H new ATOM 1208 N ASP A 87 37.909 -1.387 12.344 1.00 10.25 N ATOM 1209 CA ASP A 87 39.357 -1.255 12.456 1.00 20.33 C ATOM 1210 C ASP A 87 39.975 -2.525 13.035 1.00 51.54 C ATOM 1211 O ASP A 87 39.566 -2.999 14.095 1.00 44.12 O ATOM 1212 CB ASP A 87 39.715 -0.054 13.332 1.00 3.23 C ATOM 1213 CG ASP A 87 41.143 -0.112 13.839 1.00 40.01 C ATOM 1214 OD1 ASP A 87 42.045 0.373 13.126 1.00 45.45 O ATOM 1215 OD2 ASP A 87 41.358 -0.644 14.949 1.00 40.35 O ATOM 0 H ASP A 87 37.430 -1.546 13.231 1.00 10.25 H new ATOM 0 HA ASP A 87 39.761 -1.098 11.456 1.00 20.33 H new ATOM 0 HB2 ASP A 87 39.572 0.864 12.761 1.00 3.23 H new ATOM 0 HB3 ASP A 87 39.033 -0.011 14.181 1.00 3.23 H new ATOM 1220 N PHE A 88 40.961 -3.070 12.331 1.00 71.44 N ATOM 1221 CA PHE A 88 41.634 -4.286 12.773 1.00 60.12 C ATOM 1222 C PHE A 88 43.136 -4.056 12.914 1.00 13.43 C ATOM 1223 O PHE A 88 43.834 -3.810 11.930 1.00 34.12 O ATOM 1224 CB PHE A 88 41.372 -5.427 11.787 1.00 44.30 C ATOM 1225 CG PHE A 88 40.049 -6.107 11.994 1.00 3.44 C ATOM 1226 CD1 PHE A 88 39.696 -6.598 13.241 1.00 53.12 C ATOM 1227 CD2 PHE A 88 39.159 -6.255 10.943 1.00 63.02 C ATOM 1228 CE1 PHE A 88 38.479 -7.224 13.435 1.00 13.22 C ATOM 1229 CE2 PHE A 88 37.941 -6.880 11.131 1.00 11.43 C ATOM 1230 CZ PHE A 88 37.601 -7.366 12.379 1.00 53.33 C ATOM 0 H PHE A 88 41.312 -2.689 11.452 1.00 71.44 H new ATOM 0 HA PHE A 88 41.233 -4.559 13.749 1.00 60.12 H new ATOM 0 HB2 PHE A 88 41.415 -5.035 10.771 1.00 44.30 H new ATOM 0 HB3 PHE A 88 42.169 -6.165 11.878 1.00 44.30 H new ATOM 0 HD1 PHE A 88 40.379 -6.490 14.070 1.00 53.12 H new ATOM 0 HD2 PHE A 88 39.420 -5.878 9.965 1.00 63.02 H new ATOM 0 HE1 PHE A 88 38.215 -7.602 14.412 1.00 13.22 H new ATOM 0 HE2 PHE A 88 37.256 -6.988 10.303 1.00 11.43 H new ATOM 0 HZ PHE A 88 36.650 -7.856 12.528 1.00 53.33 H new ATOM 1240 N LYS A 89 43.627 -4.136 14.146 1.00 11.23 N ATOM 1241 CA LYS A 89 45.045 -3.937 14.419 1.00 23.04 C ATOM 1242 C LYS A 89 45.735 -5.266 14.708 1.00 23.41 C ATOM 1243 O LYS A 89 45.473 -5.905 15.727 1.00 32.13 O ATOM 1244 CB LYS A 89 45.229 -2.987 15.605 1.00 43.22 C ATOM 1245 CG LYS A 89 45.730 -1.609 15.208 1.00 43.02 C ATOM 1246 CD LYS A 89 47.217 -1.456 15.481 1.00 22.21 C ATOM 1247 CE LYS A 89 47.473 -0.594 16.708 1.00 53.34 C ATOM 1248 NZ LYS A 89 47.526 0.855 16.366 1.00 72.31 N ATOM 0 H LYS A 89 43.063 -4.337 14.972 1.00 11.23 H new ATOM 0 HA LYS A 89 45.501 -3.495 13.533 1.00 23.04 H new ATOM 0 HB2 LYS A 89 44.278 -2.882 16.127 1.00 43.22 H new ATOM 0 HB3 LYS A 89 45.932 -3.431 16.310 1.00 43.22 H new ATOM 0 HG2 LYS A 89 45.534 -1.441 14.149 1.00 43.02 H new ATOM 0 HG3 LYS A 89 45.178 -0.848 15.759 1.00 43.02 H new ATOM 0 HD2 LYS A 89 47.664 -2.439 15.626 1.00 22.21 H new ATOM 0 HD3 LYS A 89 47.703 -1.010 14.614 1.00 22.21 H new ATOM 0 HE2 LYS A 89 46.686 -0.765 17.443 1.00 53.34 H new ATOM 0 HE3 LYS A 89 48.413 -0.892 17.172 1.00 53.34 H new ATOM 0 HZ1 LYS A 89 47.702 1.409 17.228 1.00 72.31 H new ATOM 0 HZ2 LYS A 89 48.293 1.023 15.684 1.00 72.31 H new ATOM 0 HZ3 LYS A 89 46.620 1.146 15.947 1.00 72.31 H new ATOM 1262 N VAL A 90 46.620 -5.677 13.805 1.00 30.31 N ATOM 1263 CA VAL A 90 47.350 -6.929 13.964 1.00 32.54 C ATOM 1264 C VAL A 90 48.793 -6.675 14.383 1.00 4.31 C ATOM 1265 O VAL A 90 49.586 -6.125 13.618 1.00 43.31 O ATOM 1266 CB VAL A 90 47.342 -7.753 12.663 1.00 70.21 C ATOM 1267 CG1 VAL A 90 45.964 -8.349 12.416 1.00 3.20 C ATOM 1268 CG2 VAL A 90 47.779 -6.894 11.486 1.00 10.33 C ATOM 0 H VAL A 90 46.849 -5.161 12.956 1.00 30.31 H new ATOM 0 HA VAL A 90 46.842 -7.494 14.746 1.00 32.54 H new ATOM 0 HB VAL A 90 48.052 -8.573 12.769 1.00 70.21 H new ATOM 0 HG11 VAL A 90 45.978 -8.928 11.492 1.00 3.20 H new ATOM 0 HG12 VAL A 90 45.695 -9.000 13.248 1.00 3.20 H new ATOM 0 HG13 VAL A 90 45.231 -7.547 12.331 1.00 3.20 H new ATOM 0 HG21 VAL A 90 47.768 -7.492 10.575 1.00 10.33 H new ATOM 0 HG22 VAL A 90 47.095 -6.052 11.376 1.00 10.33 H new ATOM 0 HG23 VAL A 90 48.788 -6.521 11.663 1.00 10.33 H new ATOM 1278 N THR A 91 49.130 -7.079 15.604 1.00 11.11 N ATOM 1279 CA THR A 91 50.478 -6.894 16.126 1.00 61.21 C ATOM 1280 C THR A 91 51.006 -8.180 16.753 1.00 51.51 C ATOM 1281 O THR A 91 50.250 -8.942 17.355 1.00 64.35 O ATOM 1282 CB THR A 91 50.525 -5.768 17.175 1.00 11.43 C ATOM 1283 OG1 THR A 91 49.613 -6.054 18.242 1.00 3.40 O ATOM 1284 CG2 THR A 91 50.174 -4.428 16.547 1.00 53.42 C ATOM 0 H THR A 91 48.487 -7.537 16.250 1.00 11.11 H new ATOM 0 HA THR A 91 51.109 -6.619 15.281 1.00 61.21 H new ATOM 0 HB THR A 91 51.539 -5.712 17.570 1.00 11.43 H new ATOM 0 HG1 THR A 91 49.650 -5.334 18.906 1.00 3.40 H new ATOM 0 HG21 THR A 91 50.214 -3.648 17.308 1.00 53.42 H new ATOM 0 HG22 THR A 91 50.887 -4.199 15.755 1.00 53.42 H new ATOM 0 HG23 THR A 91 49.169 -4.475 16.128 1.00 53.42 H new ATOM 1292 N GLN A 92 52.306 -8.412 16.608 1.00 24.44 N ATOM 1293 CA GLN A 92 52.934 -9.607 17.161 1.00 2.54 C ATOM 1294 C GLN A 92 53.761 -9.264 18.396 1.00 24.43 C ATOM 1295 O GLN A 92 53.351 -8.453 19.226 1.00 14.53 O ATOM 1296 CB GLN A 92 53.820 -10.277 16.109 1.00 12.44 C ATOM 1297 CG GLN A 92 55.026 -9.443 15.709 1.00 1.32 C ATOM 1298 CD GLN A 92 56.322 -9.975 16.289 1.00 12.10 C ATOM 1299 OE1 GLN A 92 56.520 -11.186 16.387 1.00 21.24 O ATOM 1300 NE2 GLN A 92 57.213 -9.070 16.677 1.00 50.03 N ATOM 0 H GLN A 92 52.945 -7.790 16.113 1.00 24.44 H new ATOM 0 HA GLN A 92 52.145 -10.299 17.455 1.00 2.54 H new ATOM 0 HB2 GLN A 92 54.164 -11.237 16.494 1.00 12.44 H new ATOM 0 HB3 GLN A 92 53.222 -10.485 15.222 1.00 12.44 H new ATOM 0 HG2 GLN A 92 55.102 -9.419 14.622 1.00 1.32 H new ATOM 0 HG3 GLN A 92 54.879 -8.415 16.041 1.00 1.32 H new ATOM 0 HE21 GLN A 92 57.007 -8.076 16.577 1.00 50.03 H new ATOM 0 HE22 GLN A 92 58.103 -9.369 17.075 1.00 50.03 H new TER 1309 GLN A 92