USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -24:sc= 0.322 USER MOD Set 1.2: A 125 THR OG1 : rot 57:sc= 0.938 USER MOD Set 2.1: A 89 ASN :FLIP amide:sc= 0.304 F(o=-3.9,f=-2.1) USER MOD Set 2.2: A 104 HIS : no HE2:sc= -2.37! C(o=-2.1!,f=-3.9!) USER MOD Set 3.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 92 HIS : no HE2:sc= -5.1! C(o=-5.1!,f=-5.3!) USER MOD Set 4.1: A 67 CYS SG : rot -83:sc= -1.12 USER MOD Set 4.2: A 71 HIS : no HE2:sc= -5.29 K(o=-5.8,f=-13!) USER MOD Set 4.3: A 90 SER OG : rot 154:sc= 0.619! USER MOD Set 5.1: A 77 HIS :FLIP no HE2:sc= -7.35! C(o=-15!,f=-11!) USER MOD Set 5.2: A 79 HIS : no HE2:sc= -3.77! C(o=-11!,f=-12!) USER MOD Set 6.1: A 9 SER OG : rot 180:sc= -0.822! USER MOD Set 6.2: A 10 SER OG : rot -57:sc= -0.106! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0 (180deg=-0.00123) USER MOD Single : A 6 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.042) USER MOD Single : A 7 SER OG : rot 180:sc= -0.2 USER MOD Single : A 16 CYS SG : rot 8:sc= 0.501 USER MOD Single : A 18 THR OG1 : rot -34:sc= 0.305 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -1.96 F(o=-3.9!,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= -2.61! (180deg=-4.03!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.23 K(o=-0.23,f=-0.8) USER MOD Single : A 58 CYS SG : rot 139:sc= -4.16! USER MOD Single : A 61 THR OG1 : rot 47:sc= 0.0143 USER MOD Single : A 64 HIS : no HD1:sc= -0.861 X(o=-0.86,f=-0.85) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.544 USER MOD Single : A 76 TYR OH : rot -30:sc= -2.8 USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 0.171 (180deg=-1.63) USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= -1.14 (180deg=-2.94!) USER MOD Single : A 94 THR OG1 : rot -170:sc= -1.11 USER MOD Single : A 98 HIS :FLIP no HE2:sc= -0.76 F(o=-2.3!,f=-0.76) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= -0.123 (180deg=-0.123) USER MOD Single : A 107 GLN : amide:sc= -2.08 X(o=-2.1,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -0.0465 X(o=-0.046,f=-0.13) USER MOD Single : A 113 SER OG : rot 90:sc= -2.87! USER MOD Single : A 116 SER OG : rot 23:sc= 0.156! USER MOD Single : A 120 SER OG : rot -130:sc= -3.03! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00896 USER MOD Single : A 124 TYR OH : rot 165:sc= -1.1 USER MOD Single : A 129 LYS NZ :NH3+ 162:sc= -7.16! (180deg=-7.7!) USER MOD Single : A 131 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.531 -8.056 -0.493 1.00 63.44 N ATOM 2 CA MET A 1 -12.647 -6.996 -0.041 1.00 44.43 C ATOM 3 C MET A 1 -11.180 -7.386 -0.232 1.00 45.25 C ATOM 4 O MET A 1 -10.448 -7.558 0.741 1.00 64.51 O ATOM 5 CB MET A 1 -12.910 -6.707 1.438 1.00 22.30 C ATOM 6 CG MET A 1 -14.115 -5.780 1.610 1.00 45.21 C ATOM 7 SD MET A 1 -14.812 -5.981 3.241 1.00 42.33 S ATOM 8 CE MET A 1 -13.680 -4.976 4.188 1.00 72.14 C ATOM 0 H1 MET A 1 -14.487 -7.896 -0.115 1.00 63.44 H new ATOM 0 H2 MET A 1 -13.566 -8.059 -1.532 1.00 63.44 H new ATOM 0 H3 MET A 1 -13.174 -8.973 -0.156 1.00 63.44 H new ATOM 0 HA MET A 1 -12.847 -6.105 -0.636 1.00 44.43 H new ATOM 0 HB2 MET A 1 -13.088 -7.642 1.969 1.00 22.30 H new ATOM 0 HB3 MET A 1 -12.028 -6.249 1.885 1.00 22.30 H new ATOM 0 HG2 MET A 1 -13.811 -4.744 1.460 1.00 45.21 H new ATOM 0 HG3 MET A 1 -14.867 -6.004 0.854 1.00 45.21 H new ATOM 0 HE1 MET A 1 -13.972 -4.991 5.238 1.00 72.14 H new ATOM 0 HE2 MET A 1 -12.670 -5.372 4.086 1.00 72.14 H new ATOM 0 HE3 MET A 1 -13.707 -3.951 3.818 1.00 72.14 H new ATOM 18 N ALA A 2 -10.794 -7.513 -1.494 1.00 22.35 N ATOM 19 CA ALA A 2 -9.427 -7.880 -1.825 1.00 13.12 C ATOM 20 C ALA A 2 -9.201 -7.685 -3.325 1.00 72.44 C ATOM 21 O ALA A 2 -10.068 -8.011 -4.135 1.00 15.42 O ATOM 22 CB ALA A 2 -9.162 -9.318 -1.377 1.00 23.53 C ATOM 0 H ALA A 2 -11.404 -7.368 -2.299 1.00 22.35 H new ATOM 0 HA ALA A 2 -8.719 -7.240 -1.299 1.00 13.12 H new ATOM 0 HB1 ALA A 2 -8.137 -9.593 -1.625 1.00 23.53 H new ATOM 0 HB2 ALA A 2 -9.308 -9.396 -0.300 1.00 23.53 H new ATOM 0 HB3 ALA A 2 -9.852 -9.991 -1.886 1.00 23.53 H new ATOM 28 N ALA A 3 -8.031 -7.156 -3.651 1.00 53.23 N ATOM 29 CA ALA A 3 -7.680 -6.914 -5.040 1.00 72.15 C ATOM 30 C ALA A 3 -6.395 -7.673 -5.377 1.00 31.33 C ATOM 31 O ALA A 3 -5.434 -7.644 -4.610 1.00 3.31 O ATOM 32 CB ALA A 3 -7.547 -5.409 -5.279 1.00 54.31 C ATOM 0 H ALA A 3 -7.314 -6.888 -2.977 1.00 53.23 H new ATOM 0 HA ALA A 3 -8.464 -7.281 -5.703 1.00 72.15 H new ATOM 0 HB1 ALA A 3 -7.284 -5.228 -6.321 1.00 54.31 H new ATOM 0 HB2 ALA A 3 -8.495 -4.920 -5.054 1.00 54.31 H new ATOM 0 HB3 ALA A 3 -6.768 -5.005 -4.632 1.00 54.31 H new ATOM 38 N ALA A 4 -6.420 -8.336 -6.524 1.00 1.31 N ATOM 39 CA ALA A 4 -5.269 -9.101 -6.971 1.00 63.40 C ATOM 40 C ALA A 4 -4.970 -8.758 -8.432 1.00 25.23 C ATOM 41 O ALA A 4 -5.248 -9.552 -9.329 1.00 41.11 O ATOM 42 CB ALA A 4 -5.537 -10.594 -6.766 1.00 11.42 C ATOM 0 H ALA A 4 -7.219 -8.359 -7.157 1.00 1.31 H new ATOM 0 HA ALA A 4 -4.387 -8.844 -6.385 1.00 63.40 H new ATOM 0 HB1 ALA A 4 -4.673 -11.168 -7.101 1.00 11.42 H new ATOM 0 HB2 ALA A 4 -5.715 -10.790 -5.709 1.00 11.42 H new ATOM 0 HB3 ALA A 4 -6.414 -10.889 -7.342 1.00 11.42 H new ATOM 48 N VAL A 5 -4.406 -7.575 -8.625 1.00 13.43 N ATOM 49 CA VAL A 5 -4.066 -7.117 -9.961 1.00 52.41 C ATOM 50 C VAL A 5 -2.651 -7.582 -10.311 1.00 34.54 C ATOM 51 O VAL A 5 -1.682 -7.162 -9.680 1.00 72.25 O ATOM 52 CB VAL A 5 -4.236 -5.599 -10.053 1.00 43.20 C ATOM 53 CG1 VAL A 5 -5.715 -5.216 -10.133 1.00 62.12 C ATOM 54 CG2 VAL A 5 -3.551 -4.899 -8.878 1.00 1.54 C ATOM 0 H VAL A 5 -4.176 -6.920 -7.878 1.00 13.43 H new ATOM 0 HA VAL A 5 -4.742 -7.552 -10.697 1.00 52.41 H new ATOM 0 HB VAL A 5 -3.754 -5.263 -10.971 1.00 43.20 H new ATOM 0 HG11 VAL A 5 -5.807 -4.132 -10.198 1.00 62.12 H new ATOM 0 HG12 VAL A 5 -6.161 -5.671 -11.017 1.00 62.12 H new ATOM 0 HG13 VAL A 5 -6.232 -5.572 -9.242 1.00 62.12 H new ATOM 0 HG21 VAL A 5 -3.687 -3.821 -8.967 1.00 1.54 H new ATOM 0 HG22 VAL A 5 -3.991 -5.244 -7.942 1.00 1.54 H new ATOM 0 HG23 VAL A 5 -2.486 -5.132 -8.886 1.00 1.54 H new ATOM 64 N ASN A 6 -2.578 -8.445 -11.314 1.00 44.50 N ATOM 65 CA ASN A 6 -1.298 -8.972 -11.755 1.00 25.01 C ATOM 66 C ASN A 6 -1.271 -9.023 -13.284 1.00 1.52 C ATOM 67 O ASN A 6 -2.187 -9.556 -13.907 1.00 34.21 O ATOM 68 CB ASN A 6 -1.077 -10.393 -11.231 1.00 53.51 C ATOM 69 CG ASN A 6 -0.738 -10.380 -9.739 1.00 73.41 C ATOM 70 OD1 ASN A 6 -1.403 -10.994 -8.920 1.00 41.51 O ATOM 71 ND2 ASN A 6 0.330 -9.650 -9.433 1.00 41.01 N ATOM 0 H ASN A 6 -3.384 -8.792 -11.833 1.00 44.50 H new ATOM 0 HA ASN A 6 -0.515 -8.319 -11.370 1.00 25.01 H new ATOM 0 HB2 ASN A 6 -1.973 -10.990 -11.399 1.00 53.51 H new ATOM 0 HB3 ASN A 6 -0.269 -10.868 -11.787 1.00 53.51 H new ATOM 0 HD21 ASN A 6 0.638 -9.579 -8.463 1.00 41.01 H new ATOM 0 HD22 ASN A 6 0.841 -9.161 -10.168 1.00 41.01 H new ATOM 78 N SER A 7 -0.210 -8.460 -13.844 1.00 54.32 N ATOM 79 CA SER A 7 -0.052 -8.434 -15.288 1.00 54.14 C ATOM 80 C SER A 7 1.431 -8.339 -15.651 1.00 1.42 C ATOM 81 O SER A 7 2.260 -8.002 -14.806 1.00 73.04 O ATOM 82 CB SER A 7 -0.826 -7.267 -15.906 1.00 63.33 C ATOM 83 OG SER A 7 -0.566 -7.134 -17.301 1.00 41.31 O ATOM 0 H SER A 7 0.548 -8.019 -13.324 1.00 54.32 H new ATOM 0 HA SER A 7 -0.460 -9.360 -15.693 1.00 54.14 H new ATOM 0 HB2 SER A 7 -1.894 -7.417 -15.749 1.00 63.33 H new ATOM 0 HB3 SER A 7 -0.555 -6.342 -15.397 1.00 63.33 H new ATOM 0 HG SER A 7 -1.079 -6.380 -17.659 1.00 41.31 H new ATOM 89 N GLY A 8 1.721 -8.641 -16.908 1.00 11.02 N ATOM 90 CA GLY A 8 3.090 -8.594 -17.392 1.00 51.34 C ATOM 91 C GLY A 8 3.897 -9.784 -16.871 1.00 64.34 C ATOM 92 O GLY A 8 3.584 -10.338 -15.819 1.00 24.32 O ATOM 0 H GLY A 8 1.031 -8.919 -17.606 1.00 11.02 H new ATOM 0 HA2 GLY A 8 3.094 -8.596 -18.482 1.00 51.34 H new ATOM 0 HA3 GLY A 8 3.560 -7.664 -17.073 1.00 51.34 H new ATOM 96 N SER A 9 4.921 -10.143 -17.633 1.00 11.34 N ATOM 97 CA SER A 9 5.776 -11.257 -17.261 1.00 73.40 C ATOM 98 C SER A 9 6.794 -10.809 -16.211 1.00 10.40 C ATOM 99 O SER A 9 6.679 -11.163 -15.039 1.00 3.34 O ATOM 100 CB SER A 9 6.493 -11.833 -18.484 1.00 32.02 C ATOM 101 OG SER A 9 7.899 -11.936 -18.278 1.00 62.14 O ATOM 0 H SER A 9 5.177 -9.682 -18.506 1.00 11.34 H new ATOM 0 HA SER A 9 5.149 -12.042 -16.837 1.00 73.40 H new ATOM 0 HB2 SER A 9 6.087 -12.818 -18.712 1.00 32.02 H new ATOM 0 HB3 SER A 9 6.299 -11.200 -19.350 1.00 32.02 H new ATOM 0 HG SER A 9 8.321 -12.309 -19.080 1.00 62.14 H new ATOM 107 N SER A 10 7.767 -10.036 -16.670 1.00 4.44 N ATOM 108 CA SER A 10 8.805 -9.535 -15.785 1.00 2.35 C ATOM 109 C SER A 10 9.661 -8.498 -16.516 1.00 22.44 C ATOM 110 O SER A 10 10.342 -8.824 -17.487 1.00 25.35 O ATOM 111 CB SER A 10 9.682 -10.675 -15.263 1.00 41.13 C ATOM 112 OG SER A 10 8.960 -11.899 -15.159 1.00 50.00 O ATOM 0 H SER A 10 7.859 -9.744 -17.643 1.00 4.44 H new ATOM 0 HA SER A 10 8.325 -9.061 -14.929 1.00 2.35 H new ATOM 0 HB2 SER A 10 10.533 -10.812 -15.930 1.00 41.13 H new ATOM 0 HB3 SER A 10 10.082 -10.406 -14.286 1.00 41.13 H new ATOM 0 HG SER A 10 8.180 -11.770 -14.580 1.00 50.00 H new ATOM 118 N LEU A 11 9.598 -7.271 -16.021 1.00 41.11 N ATOM 119 CA LEU A 11 10.359 -6.185 -16.615 1.00 51.31 C ATOM 120 C LEU A 11 11.188 -5.495 -15.530 1.00 21.33 C ATOM 121 O LEU A 11 10.870 -5.591 -14.346 1.00 33.35 O ATOM 122 CB LEU A 11 9.432 -5.235 -17.377 1.00 31.31 C ATOM 123 CG LEU A 11 8.829 -5.783 -18.672 1.00 52.42 C ATOM 124 CD1 LEU A 11 9.908 -5.981 -19.738 1.00 70.33 C ATOM 125 CD2 LEU A 11 8.039 -7.066 -18.410 1.00 21.53 C ATOM 0 H LEU A 11 9.032 -7.005 -15.215 1.00 41.11 H new ATOM 0 HA LEU A 11 11.060 -6.572 -17.355 1.00 51.31 H new ATOM 0 HB2 LEU A 11 8.617 -4.945 -16.714 1.00 31.31 H new ATOM 0 HB3 LEU A 11 9.988 -4.328 -17.614 1.00 31.31 H new ATOM 0 HG LEU A 11 8.125 -5.046 -19.059 1.00 52.42 H new ATOM 0 HD11 LEU A 11 9.453 -6.371 -20.648 1.00 70.33 H new ATOM 0 HD12 LEU A 11 10.387 -5.026 -19.953 1.00 70.33 H new ATOM 0 HD13 LEU A 11 10.654 -6.687 -19.374 1.00 70.33 H new ATOM 0 HD21 LEU A 11 7.621 -7.434 -19.347 1.00 21.53 H new ATOM 0 HD22 LEU A 11 8.701 -7.821 -17.987 1.00 21.53 H new ATOM 0 HD23 LEU A 11 7.230 -6.859 -17.709 1.00 21.53 H new ATOM 137 N PRO A 12 12.263 -4.798 -15.984 1.00 43.52 N ATOM 138 CA PRO A 12 13.141 -4.092 -15.065 1.00 74.43 C ATOM 139 C PRO A 12 12.481 -2.810 -14.553 1.00 24.21 C ATOM 140 O PRO A 12 11.266 -2.649 -14.655 1.00 43.12 O ATOM 141 CB PRO A 12 14.412 -3.831 -15.857 1.00 34.40 C ATOM 142 CG PRO A 12 14.030 -3.983 -17.320 1.00 73.44 C ATOM 143 CD PRO A 12 12.671 -4.662 -17.380 1.00 11.15 C ATOM 0 HA PRO A 12 13.360 -4.668 -14.166 1.00 74.43 H new ATOM 0 HB2 PRO A 12 14.799 -2.832 -15.656 1.00 34.40 H new ATOM 0 HB3 PRO A 12 15.195 -4.538 -15.582 1.00 34.40 H new ATOM 0 HG2 PRO A 12 13.992 -3.009 -17.807 1.00 73.44 H new ATOM 0 HG3 PRO A 12 14.776 -4.575 -17.850 1.00 73.44 H new ATOM 0 HD2 PRO A 12 11.955 -4.066 -17.946 1.00 11.15 H new ATOM 0 HD3 PRO A 12 12.735 -5.633 -17.870 1.00 11.15 H new ATOM 151 N LEU A 13 13.312 -1.931 -14.013 1.00 3.23 N ATOM 152 CA LEU A 13 12.825 -0.668 -13.484 1.00 44.12 C ATOM 153 C LEU A 13 13.397 0.482 -14.316 1.00 53.20 C ATOM 154 O LEU A 13 12.732 1.498 -14.517 1.00 23.35 O ATOM 155 CB LEU A 13 13.133 -0.558 -11.990 1.00 25.14 C ATOM 156 CG LEU A 13 14.394 -1.280 -11.510 1.00 23.12 C ATOM 157 CD1 LEU A 13 14.249 -2.796 -11.660 1.00 51.42 C ATOM 158 CD2 LEU A 13 15.637 -0.750 -12.228 1.00 12.51 C ATOM 0 H LEU A 13 14.319 -2.068 -13.930 1.00 3.23 H new ATOM 0 HA LEU A 13 11.739 -0.614 -13.567 1.00 44.12 H new ATOM 0 HB2 LEU A 13 13.223 0.498 -11.735 1.00 25.14 H new ATOM 0 HB3 LEU A 13 12.281 -0.949 -11.434 1.00 25.14 H new ATOM 0 HG LEU A 13 14.522 -1.072 -10.448 1.00 23.12 H new ATOM 0 HD11 LEU A 13 15.159 -3.285 -11.312 1.00 51.42 H new ATOM 0 HD12 LEU A 13 13.402 -3.141 -11.067 1.00 51.42 H new ATOM 0 HD13 LEU A 13 14.083 -3.044 -12.708 1.00 51.42 H new ATOM 0 HD21 LEU A 13 16.519 -1.280 -11.868 1.00 12.51 H new ATOM 0 HD22 LEU A 13 15.532 -0.907 -13.301 1.00 12.51 H new ATOM 0 HD23 LEU A 13 15.747 0.316 -12.027 1.00 12.51 H new ATOM 170 N PHE A 14 14.623 0.284 -14.778 1.00 14.13 N ATOM 171 CA PHE A 14 15.291 1.292 -15.583 1.00 51.13 C ATOM 172 C PHE A 14 16.597 0.750 -16.167 1.00 4.13 C ATOM 173 O PHE A 14 17.173 -0.198 -15.635 1.00 34.22 O ATOM 174 CB PHE A 14 15.609 2.467 -14.656 1.00 72.12 C ATOM 175 CG PHE A 14 16.800 3.313 -15.110 1.00 53.45 C ATOM 176 CD1 PHE A 14 18.065 2.938 -14.783 1.00 61.22 C ATOM 177 CD2 PHE A 14 16.593 4.441 -15.842 1.00 13.44 C ATOM 178 CE1 PHE A 14 19.170 3.723 -15.205 1.00 4.32 C ATOM 179 CE2 PHE A 14 17.698 5.227 -16.263 1.00 71.12 C ATOM 180 CZ PHE A 14 18.963 4.851 -15.936 1.00 4.30 C ATOM 0 H PHE A 14 15.171 -0.560 -14.610 1.00 14.13 H new ATOM 0 HA PHE A 14 14.650 1.591 -16.412 1.00 51.13 H new ATOM 0 HB2 PHE A 14 14.729 3.106 -14.582 1.00 72.12 H new ATOM 0 HB3 PHE A 14 15.809 2.083 -13.656 1.00 72.12 H new ATOM 0 HD1 PHE A 14 18.229 2.043 -14.202 1.00 61.22 H new ATOM 0 HD2 PHE A 14 15.588 4.739 -16.103 1.00 13.44 H new ATOM 0 HE1 PHE A 14 20.175 3.424 -14.946 1.00 4.32 H new ATOM 0 HE2 PHE A 14 17.534 6.123 -16.843 1.00 71.12 H new ATOM 0 HZ PHE A 14 19.804 5.448 -16.257 1.00 4.30 H new ATOM 190 N ASP A 15 17.028 1.376 -17.252 1.00 73.45 N ATOM 191 CA ASP A 15 18.256 0.968 -17.914 1.00 34.12 C ATOM 192 C ASP A 15 19.220 2.154 -17.965 1.00 5.33 C ATOM 193 O ASP A 15 18.908 3.188 -18.553 1.00 42.22 O ATOM 194 CB ASP A 15 17.984 0.518 -19.351 1.00 20.45 C ATOM 195 CG ASP A 15 19.077 -0.354 -19.972 1.00 72.34 C ATOM 196 OD1 ASP A 15 20.008 -0.798 -19.285 1.00 22.23 O ATOM 197 OD2 ASP A 15 18.943 -0.577 -21.236 1.00 43.11 O ATOM 0 H ASP A 15 16.549 2.163 -17.690 1.00 73.45 H new ATOM 0 HA ASP A 15 18.683 0.138 -17.351 1.00 34.12 H new ATOM 0 HB2 ASP A 15 17.044 -0.034 -19.371 1.00 20.45 H new ATOM 0 HB3 ASP A 15 17.848 1.402 -19.973 1.00 20.45 H new ATOM 203 N CYS A 16 20.374 1.965 -17.340 1.00 55.40 N ATOM 204 CA CYS A 16 21.386 3.007 -17.307 1.00 0.04 C ATOM 205 C CYS A 16 21.961 3.163 -18.716 1.00 11.52 C ATOM 206 O CYS A 16 22.137 2.178 -19.431 1.00 43.50 O ATOM 207 CB CYS A 16 22.476 2.704 -16.276 1.00 74.11 C ATOM 208 SG CYS A 16 23.609 1.421 -16.923 1.00 3.31 S ATOM 0 H CYS A 16 20.630 1.106 -16.853 1.00 55.40 H new ATOM 0 HA CYS A 16 20.933 3.948 -16.994 1.00 0.04 H new ATOM 0 HB2 CYS A 16 23.034 3.612 -16.047 1.00 74.11 H new ATOM 0 HB3 CYS A 16 22.023 2.365 -15.344 1.00 74.11 H new ATOM 0 HG CYS A 16 23.323 1.177 -18.167 1.00 3.31 H new ATOM 214 N PRO A 17 22.245 4.442 -19.082 1.00 53.12 N ATOM 215 CA PRO A 17 22.796 4.740 -20.393 1.00 50.20 C ATOM 216 C PRO A 17 24.275 4.354 -20.467 1.00 13.23 C ATOM 217 O PRO A 17 24.758 3.575 -19.647 1.00 60.42 O ATOM 218 CB PRO A 17 22.560 6.229 -20.590 1.00 20.32 C ATOM 219 CG PRO A 17 22.309 6.798 -19.203 1.00 31.11 C ATOM 220 CD PRO A 17 22.049 5.633 -18.261 1.00 51.43 C ATOM 0 HA PRO A 17 22.321 4.166 -21.189 1.00 50.20 H new ATOM 0 HB2 PRO A 17 23.424 6.703 -21.056 1.00 20.32 H new ATOM 0 HB3 PRO A 17 21.707 6.406 -21.245 1.00 20.32 H new ATOM 0 HG2 PRO A 17 23.169 7.376 -18.866 1.00 31.11 H new ATOM 0 HG3 PRO A 17 21.455 7.475 -19.217 1.00 31.11 H new ATOM 0 HD2 PRO A 17 22.735 5.648 -17.414 1.00 51.43 H new ATOM 0 HD3 PRO A 17 21.039 5.671 -17.853 1.00 51.43 H new ATOM 228 N THR A 18 24.952 4.918 -21.456 1.00 51.10 N ATOM 229 CA THR A 18 26.366 4.643 -21.647 1.00 72.03 C ATOM 230 C THR A 18 27.194 5.902 -21.384 1.00 24.22 C ATOM 231 O THR A 18 28.423 5.862 -21.433 1.00 52.44 O ATOM 232 CB THR A 18 26.551 4.078 -23.057 1.00 30.42 C ATOM 233 OG1 THR A 18 27.863 3.522 -23.038 1.00 72.43 O ATOM 234 CG2 THR A 18 26.626 5.173 -24.122 1.00 52.31 C ATOM 0 H THR A 18 24.548 5.564 -22.134 1.00 51.10 H new ATOM 0 HA THR A 18 26.725 3.901 -20.934 1.00 72.03 H new ATOM 0 HB THR A 18 25.727 3.403 -23.288 1.00 30.42 H new ATOM 0 HG1 THR A 18 28.441 4.067 -22.464 1.00 72.43 H new ATOM 0 HG21 THR A 18 26.757 4.718 -25.104 1.00 52.31 H new ATOM 0 HG22 THR A 18 25.704 5.754 -24.112 1.00 52.31 H new ATOM 0 HG23 THR A 18 27.470 5.829 -23.910 1.00 52.31 H new ATOM 242 N TRP A 19 26.489 6.989 -21.109 1.00 51.13 N ATOM 243 CA TRP A 19 27.144 8.257 -20.838 1.00 11.51 C ATOM 244 C TRP A 19 27.276 8.406 -19.321 1.00 2.21 C ATOM 245 O TRP A 19 27.849 9.381 -18.837 1.00 1.13 O ATOM 246 CB TRP A 19 26.386 9.416 -21.488 1.00 53.22 C ATOM 247 CG TRP A 19 24.868 9.225 -21.524 1.00 62.21 C ATOM 248 CD1 TRP A 19 24.143 8.553 -22.428 1.00 75.23 C ATOM 249 CD2 TRP A 19 23.914 9.742 -20.573 1.00 34.51 C ATOM 250 NE1 TRP A 19 22.796 8.598 -22.131 1.00 14.32 N ATOM 251 CE2 TRP A 19 22.652 9.344 -20.967 1.00 2.15 C ATOM 252 CE3 TRP A 19 24.110 10.519 -19.418 1.00 32.11 C ATOM 253 CZ2 TRP A 19 21.489 9.676 -20.262 1.00 10.41 C ATOM 254 CZ3 TRP A 19 22.937 10.843 -18.725 1.00 22.43 C ATOM 255 CH2 TRP A 19 21.660 10.450 -19.108 1.00 0.50 C ATOM 0 H TRP A 19 25.470 7.018 -21.068 1.00 51.13 H new ATOM 0 HA TRP A 19 28.141 8.278 -21.278 1.00 11.51 H new ATOM 0 HB2 TRP A 19 26.614 10.334 -20.947 1.00 53.22 H new ATOM 0 HB3 TRP A 19 26.749 9.548 -22.507 1.00 53.22 H new ATOM 0 HD1 TRP A 19 24.560 8.040 -23.282 1.00 75.23 H new ATOM 0 HE1 TRP A 19 22.045 8.164 -22.667 1.00 14.32 H new ATOM 0 HE3 TRP A 19 25.088 10.841 -19.091 1.00 32.11 H new ATOM 0 HZ2 TRP A 19 20.512 9.352 -20.591 1.00 10.41 H new ATOM 0 HZ3 TRP A 19 23.031 11.440 -17.830 1.00 22.43 H new ATOM 0 HH2 TRP A 19 20.803 10.740 -18.518 1.00 0.50 H new ATOM 266 N ALA A 20 26.737 7.425 -18.613 1.00 32.31 N ATOM 267 CA ALA A 20 26.787 7.434 -17.161 1.00 3.12 C ATOM 268 C ALA A 20 28.204 7.082 -16.702 1.00 12.12 C ATOM 269 O ALA A 20 28.841 6.195 -17.267 1.00 71.14 O ATOM 270 CB ALA A 20 25.738 6.468 -16.607 1.00 61.01 C ATOM 0 H ALA A 20 26.263 6.618 -19.018 1.00 32.31 H new ATOM 0 HA ALA A 20 26.552 8.426 -16.775 1.00 3.12 H new ATOM 0 HB1 ALA A 20 25.776 6.475 -15.518 1.00 61.01 H new ATOM 0 HB2 ALA A 20 24.747 6.779 -16.938 1.00 61.01 H new ATOM 0 HB3 ALA A 20 25.943 5.461 -16.971 1.00 61.01 H new ATOM 276 N GLY A 21 28.655 7.796 -15.681 1.00 22.10 N ATOM 277 CA GLY A 21 29.985 7.570 -15.140 1.00 14.14 C ATOM 278 C GLY A 21 30.004 7.789 -13.625 1.00 64.33 C ATOM 279 O GLY A 21 29.342 8.691 -13.116 1.00 52.32 O ATOM 0 H GLY A 21 28.124 8.531 -15.214 1.00 22.10 H new ATOM 0 HA2 GLY A 21 30.307 6.554 -15.368 1.00 14.14 H new ATOM 0 HA3 GLY A 21 30.696 8.245 -15.618 1.00 14.14 H new ATOM 283 N LYS A 22 30.771 6.947 -12.948 1.00 44.01 N ATOM 284 CA LYS A 22 30.886 7.037 -11.502 1.00 62.24 C ATOM 285 C LYS A 22 31.181 8.485 -11.108 1.00 1.34 C ATOM 286 O LYS A 22 32.212 9.039 -11.488 1.00 31.54 O ATOM 287 CB LYS A 22 31.920 6.035 -10.984 1.00 2.42 C ATOM 288 CG LYS A 22 31.561 5.556 -9.576 1.00 2.33 C ATOM 289 CD LYS A 22 30.557 4.404 -9.628 1.00 75.42 C ATOM 290 CE LYS A 22 31.274 3.055 -9.712 1.00 74.35 C ATOM 291 NZ LYS A 22 30.292 1.947 -9.744 1.00 43.25 N ATOM 0 H LYS A 22 31.319 6.199 -13.374 1.00 44.01 H new ATOM 0 HA LYS A 22 29.944 6.763 -11.026 1.00 62.24 H new ATOM 0 HB2 LYS A 22 31.975 5.181 -11.660 1.00 2.42 H new ATOM 0 HB3 LYS A 22 32.907 6.498 -10.974 1.00 2.42 H new ATOM 0 HG2 LYS A 22 32.463 5.233 -9.057 1.00 2.33 H new ATOM 0 HG3 LYS A 22 31.142 6.383 -9.003 1.00 2.33 H new ATOM 0 HD2 LYS A 22 29.924 4.429 -8.741 1.00 75.42 H new ATOM 0 HD3 LYS A 22 29.902 4.526 -10.491 1.00 75.42 H new ATOM 0 HE2 LYS A 22 31.897 3.023 -10.606 1.00 74.35 H new ATOM 0 HE3 LYS A 22 31.938 2.936 -8.856 1.00 74.35 H new ATOM 0 HZ1 LYS A 22 30.795 1.039 -9.801 1.00 43.25 H new ATOM 0 HZ2 LYS A 22 29.715 1.969 -8.879 1.00 43.25 H new ATOM 0 HZ3 LYS A 22 29.675 2.054 -10.574 1.00 43.25 H new ATOM 304 N PRO A 23 30.233 9.073 -10.330 1.00 0.41 N ATOM 305 CA PRO A 23 30.381 10.447 -9.879 1.00 60.14 C ATOM 306 C PRO A 23 31.414 10.547 -8.756 1.00 5.04 C ATOM 307 O PRO A 23 31.678 9.567 -8.061 1.00 10.15 O ATOM 308 CB PRO A 23 28.988 10.871 -9.445 1.00 34.44 C ATOM 309 CG PRO A 23 28.208 9.583 -9.230 1.00 44.10 C ATOM 310 CD PRO A 23 29.000 8.449 -9.861 1.00 33.14 C ATOM 0 HA PRO A 23 30.758 11.108 -10.660 1.00 60.14 H new ATOM 0 HB2 PRO A 23 29.027 11.461 -8.530 1.00 34.44 H new ATOM 0 HB3 PRO A 23 28.514 11.492 -10.205 1.00 34.44 H new ATOM 0 HG2 PRO A 23 28.060 9.399 -8.166 1.00 44.10 H new ATOM 0 HG3 PRO A 23 27.219 9.656 -9.682 1.00 44.10 H new ATOM 0 HD2 PRO A 23 29.206 7.660 -9.138 1.00 33.14 H new ATOM 0 HD3 PRO A 23 28.450 7.992 -10.684 1.00 33.14 H new ATOM 318 N PRO A 24 31.987 11.772 -8.608 1.00 55.14 N ATOM 319 CA PRO A 24 32.985 12.013 -7.581 1.00 1.12 C ATOM 320 C PRO A 24 32.337 12.112 -6.198 1.00 73.55 C ATOM 321 O PRO A 24 31.165 12.466 -6.082 1.00 53.13 O ATOM 322 CB PRO A 24 33.682 13.296 -8.003 1.00 10.32 C ATOM 323 CG PRO A 24 32.746 13.973 -8.991 1.00 43.22 C ATOM 324 CD PRO A 24 31.699 12.956 -9.413 1.00 70.33 C ATOM 0 HA PRO A 24 33.702 11.197 -7.492 1.00 1.12 H new ATOM 0 HB2 PRO A 24 33.873 13.938 -7.143 1.00 10.32 H new ATOM 0 HB3 PRO A 24 34.647 13.083 -8.462 1.00 10.32 H new ATOM 0 HG2 PRO A 24 32.272 14.842 -8.534 1.00 43.22 H new ATOM 0 HG3 PRO A 24 33.301 14.332 -9.858 1.00 43.22 H new ATOM 0 HD2 PRO A 24 30.691 13.325 -9.227 1.00 70.33 H new ATOM 0 HD3 PRO A 24 31.767 12.737 -10.479 1.00 70.33 H new ATOM 332 N PRO A 25 33.149 11.783 -5.158 1.00 73.11 N ATOM 333 CA PRO A 25 32.667 11.831 -3.788 1.00 74.13 C ATOM 334 C PRO A 25 32.561 13.275 -3.295 1.00 13.25 C ATOM 335 O PRO A 25 33.397 13.732 -2.516 1.00 73.14 O ATOM 336 CB PRO A 25 33.661 11.002 -2.992 1.00 3.21 C ATOM 337 CG PRO A 25 34.910 10.909 -3.854 1.00 20.55 C ATOM 338 CD PRO A 25 34.542 11.359 -5.258 1.00 21.51 C ATOM 0 HA PRO A 25 31.659 11.429 -3.682 1.00 74.13 H new ATOM 0 HB2 PRO A 25 33.882 11.471 -2.033 1.00 3.21 H new ATOM 0 HB3 PRO A 25 33.260 10.011 -2.777 1.00 3.21 H new ATOM 0 HG2 PRO A 25 35.702 11.537 -3.447 1.00 20.55 H new ATOM 0 HG3 PRO A 25 35.289 9.887 -3.868 1.00 20.55 H new ATOM 0 HD2 PRO A 25 35.182 12.176 -5.592 1.00 21.51 H new ATOM 0 HD3 PRO A 25 34.658 10.548 -5.977 1.00 21.51 H new ATOM 346 N GLY A 26 31.526 13.954 -3.767 1.00 74.10 N ATOM 347 CA GLY A 26 31.299 15.337 -3.383 1.00 64.02 C ATOM 348 C GLY A 26 29.967 15.848 -3.934 1.00 53.14 C ATOM 349 O GLY A 26 29.832 17.030 -4.247 1.00 4.23 O ATOM 0 H GLY A 26 30.835 13.572 -4.412 1.00 74.10 H new ATOM 0 HA2 GLY A 26 31.303 15.422 -2.296 1.00 64.02 H new ATOM 0 HA3 GLY A 26 32.113 15.959 -3.755 1.00 64.02 H new ATOM 353 N LEU A 27 29.015 14.932 -4.037 1.00 40.00 N ATOM 354 CA LEU A 27 27.698 15.275 -4.545 1.00 54.21 C ATOM 355 C LEU A 27 26.632 14.752 -3.581 1.00 34.45 C ATOM 356 O LEU A 27 26.925 13.933 -2.711 1.00 34.32 O ATOM 357 CB LEU A 27 27.529 14.772 -5.980 1.00 60.01 C ATOM 358 CG LEU A 27 28.643 15.149 -6.958 1.00 43.24 C ATOM 359 CD1 LEU A 27 28.733 14.139 -8.104 1.00 32.45 C ATOM 360 CD2 LEU A 27 28.463 16.580 -7.469 1.00 41.04 C ATOM 0 H LEU A 27 29.130 13.952 -3.777 1.00 40.00 H new ATOM 0 HA LEU A 27 27.580 16.357 -4.595 1.00 54.21 H new ATOM 0 HB2 LEU A 27 27.446 13.685 -5.956 1.00 60.01 H new ATOM 0 HB3 LEU A 27 26.586 15.155 -6.369 1.00 60.01 H new ATOM 0 HG LEU A 27 29.592 15.114 -6.423 1.00 43.24 H new ATOM 0 HD11 LEU A 27 29.533 14.431 -8.784 1.00 32.45 H new ATOM 0 HD12 LEU A 27 28.943 13.149 -7.700 1.00 32.45 H new ATOM 0 HD13 LEU A 27 27.787 14.117 -8.645 1.00 32.45 H new ATOM 0 HD21 LEU A 27 29.268 16.823 -8.162 1.00 41.04 H new ATOM 0 HD22 LEU A 27 27.505 16.666 -7.981 1.00 41.04 H new ATOM 0 HD23 LEU A 27 28.488 17.273 -6.628 1.00 41.04 H new ATOM 372 N HIS A 28 25.417 15.246 -3.767 1.00 75.21 N ATOM 373 CA HIS A 28 24.305 14.838 -2.924 1.00 42.13 C ATOM 374 C HIS A 28 23.019 15.507 -3.413 1.00 34.23 C ATOM 375 O HIS A 28 23.045 16.644 -3.880 1.00 54.14 O ATOM 376 CB HIS A 28 24.604 15.131 -1.453 1.00 32.44 C ATOM 377 CG HIS A 28 24.653 16.602 -1.117 1.00 1.14 C ATOM 378 ND1 HIS A 28 23.785 17.386 -0.415 1.00 41.52 N flip ATOM 379 CD2 HIS A 28 25.688 17.428 -1.518 1.00 32.42 C flip ATOM 380 CE1 HIS A 28 24.264 18.623 -0.388 1.00 31.32 C flip ATOM 381 NE2 HIS A 28 25.444 18.652 -1.072 1.00 1.03 N flip ATOM 0 H HIS A 28 25.178 15.925 -4.489 1.00 75.21 H new ATOM 0 HA HIS A 28 24.163 13.760 -2.998 1.00 42.13 H new ATOM 0 HB2 HIS A 28 23.843 14.653 -0.836 1.00 32.44 H new ATOM 0 HB3 HIS A 28 25.559 14.677 -1.190 1.00 32.44 H new ATOM 0 HD2 HIS A 28 26.549 17.126 -2.096 1.00 32.42 H new ATOM 0 HE1 HIS A 28 23.797 19.468 0.096 1.00 31.32 H new ATOM 0 HE2 HIS A 28 26.034 19.471 -1.215 1.00 1.03 H new ATOM 389 N LEU A 29 21.923 14.772 -3.287 1.00 64.21 N ATOM 390 CA LEU A 29 20.629 15.279 -3.710 1.00 1.23 C ATOM 391 C LEU A 29 19.969 16.016 -2.543 1.00 2.24 C ATOM 392 O LEU A 29 20.471 15.984 -1.420 1.00 61.11 O ATOM 393 CB LEU A 29 19.773 14.150 -4.287 1.00 23.23 C ATOM 394 CG LEU A 29 18.758 14.557 -5.356 1.00 51.05 C ATOM 395 CD1 LEU A 29 17.396 14.864 -4.731 1.00 72.30 C ATOM 396 CD2 LEU A 29 19.281 15.727 -6.192 1.00 64.11 C ATOM 0 H LEU A 29 21.905 13.829 -2.898 1.00 64.21 H new ATOM 0 HA LEU A 29 20.749 16.001 -4.518 1.00 1.23 H new ATOM 0 HB2 LEU A 29 20.438 13.398 -4.713 1.00 23.23 H new ATOM 0 HB3 LEU A 29 19.236 13.673 -3.467 1.00 23.23 H new ATOM 0 HG LEU A 29 18.619 13.714 -6.033 1.00 51.05 H new ATOM 0 HD11 LEU A 29 16.693 15.151 -5.513 1.00 72.30 H new ATOM 0 HD12 LEU A 29 17.024 13.978 -4.216 1.00 72.30 H new ATOM 0 HD13 LEU A 29 17.499 15.682 -4.018 1.00 72.30 H new ATOM 0 HD21 LEU A 29 18.540 15.996 -6.945 1.00 64.11 H new ATOM 0 HD22 LEU A 29 19.467 16.583 -5.543 1.00 64.11 H new ATOM 0 HD23 LEU A 29 20.209 15.436 -6.684 1.00 64.11 H new ATOM 408 N ASP A 30 18.854 16.663 -2.848 1.00 11.14 N ATOM 409 CA ASP A 30 18.120 17.407 -1.838 1.00 20.21 C ATOM 410 C ASP A 30 16.659 17.541 -2.271 1.00 51.43 C ATOM 411 O ASP A 30 16.321 17.267 -3.422 1.00 20.54 O ATOM 412 CB ASP A 30 18.694 18.815 -1.665 1.00 74.35 C ATOM 413 CG ASP A 30 20.220 18.887 -1.595 1.00 63.24 C ATOM 414 OD1 ASP A 30 20.794 19.300 -0.577 1.00 21.02 O ATOM 415 OD2 ASP A 30 20.834 18.491 -2.659 1.00 1.22 O ATOM 0 H ASP A 30 18.441 16.688 -3.780 1.00 11.14 H new ATOM 0 HA ASP A 30 18.202 16.866 -0.895 1.00 20.21 H new ATOM 0 HB2 ASP A 30 18.354 19.434 -2.495 1.00 74.35 H new ATOM 0 HB3 ASP A 30 18.283 19.249 -0.754 1.00 74.35 H new ATOM 421 N VAL A 31 15.831 17.964 -1.327 1.00 5.41 N ATOM 422 CA VAL A 31 14.414 18.139 -1.597 1.00 24.23 C ATOM 423 C VAL A 31 13.910 19.385 -0.866 1.00 42.13 C ATOM 424 O VAL A 31 14.346 19.676 0.247 1.00 61.44 O ATOM 425 CB VAL A 31 13.649 16.871 -1.214 1.00 32.34 C ATOM 426 CG1 VAL A 31 12.142 17.063 -1.398 1.00 2.24 C ATOM 427 CG2 VAL A 31 14.149 15.666 -2.013 1.00 23.34 C ATOM 0 H VAL A 31 16.115 18.191 -0.374 1.00 5.41 H new ATOM 0 HA VAL A 31 14.244 18.296 -2.662 1.00 24.23 H new ATOM 0 HB VAL A 31 13.836 16.674 -0.158 1.00 32.34 H new ATOM 0 HG11 VAL A 31 11.622 16.147 -1.119 1.00 2.24 H new ATOM 0 HG12 VAL A 31 11.800 17.882 -0.765 1.00 2.24 H new ATOM 0 HG13 VAL A 31 11.930 17.297 -2.441 1.00 2.24 H new ATOM 0 HG21 VAL A 31 13.588 14.778 -1.721 1.00 23.34 H new ATOM 0 HG22 VAL A 31 14.007 15.851 -3.078 1.00 23.34 H new ATOM 0 HG23 VAL A 31 15.208 15.509 -1.810 1.00 23.34 H new ATOM 437 N VAL A 32 12.999 20.088 -1.522 1.00 53.13 N ATOM 438 CA VAL A 32 12.431 21.297 -0.949 1.00 74.53 C ATOM 439 C VAL A 32 10.942 21.369 -1.296 1.00 42.44 C ATOM 440 O VAL A 32 10.559 21.170 -2.448 1.00 43.12 O ATOM 441 CB VAL A 32 13.216 22.521 -1.425 1.00 31.53 C ATOM 442 CG1 VAL A 32 13.062 23.685 -0.444 1.00 45.14 C ATOM 443 CG2 VAL A 32 14.691 22.176 -1.640 1.00 71.32 C ATOM 0 H VAL A 32 12.640 19.844 -2.445 1.00 53.13 H new ATOM 0 HA VAL A 32 12.511 21.279 0.138 1.00 74.53 H new ATOM 0 HB VAL A 32 12.802 22.834 -2.384 1.00 31.53 H new ATOM 0 HG11 VAL A 32 13.629 24.543 -0.805 1.00 45.14 H new ATOM 0 HG12 VAL A 32 12.009 23.955 -0.362 1.00 45.14 H new ATOM 0 HG13 VAL A 32 13.438 23.388 0.535 1.00 45.14 H new ATOM 0 HG21 VAL A 32 15.227 23.063 -1.978 1.00 71.32 H new ATOM 0 HG22 VAL A 32 15.123 21.826 -0.702 1.00 71.32 H new ATOM 0 HG23 VAL A 32 14.775 21.392 -2.393 1.00 71.32 H new ATOM 453 N LYS A 33 10.143 21.656 -0.279 1.00 24.41 N ATOM 454 CA LYS A 33 8.705 21.757 -0.462 1.00 5.30 C ATOM 455 C LYS A 33 8.384 23.031 -1.246 1.00 44.21 C ATOM 456 O LYS A 33 7.300 23.160 -1.812 1.00 34.54 O ATOM 457 CB LYS A 33 7.986 21.667 0.885 1.00 21.33 C ATOM 458 CG LYS A 33 8.376 22.834 1.795 1.00 61.23 C ATOM 459 CD LYS A 33 7.397 23.999 1.641 1.00 11.41 C ATOM 460 CE LYS A 33 6.100 23.731 2.408 1.00 64.13 C ATOM 461 NZ LYS A 33 5.088 24.763 2.091 1.00 72.21 N ATOM 0 H LYS A 33 10.464 21.822 0.675 1.00 24.41 H new ATOM 0 HA LYS A 33 8.336 20.917 -1.051 1.00 5.30 H new ATOM 0 HB2 LYS A 33 6.908 21.670 0.726 1.00 21.33 H new ATOM 0 HB3 LYS A 33 8.234 20.724 1.371 1.00 21.33 H new ATOM 0 HG2 LYS A 33 8.391 22.501 2.833 1.00 61.23 H new ATOM 0 HG3 LYS A 33 9.385 23.168 1.553 1.00 61.23 H new ATOM 0 HD2 LYS A 33 7.857 24.916 2.008 1.00 11.41 H new ATOM 0 HD3 LYS A 33 7.174 24.154 0.585 1.00 11.41 H new ATOM 0 HE2 LYS A 33 5.715 22.744 2.150 1.00 64.13 H new ATOM 0 HE3 LYS A 33 6.299 23.725 3.480 1.00 64.13 H new ATOM 0 HZ1 LYS A 33 4.214 24.566 2.620 1.00 72.21 H new ATOM 0 HZ2 LYS A 33 5.452 25.700 2.359 1.00 72.21 H new ATOM 0 HZ3 LYS A 33 4.886 24.749 1.071 1.00 72.21 H new ATOM 474 N GLY A 34 9.347 23.941 -1.255 1.00 4.01 N ATOM 475 CA GLY A 34 9.181 25.200 -1.960 1.00 51.43 C ATOM 476 C GLY A 34 10.305 26.178 -1.611 1.00 21.43 C ATOM 477 O GLY A 34 11.067 26.590 -2.483 1.00 44.34 O ATOM 0 H GLY A 34 10.245 23.831 -0.785 1.00 4.01 H new ATOM 0 HA2 GLY A 34 9.172 25.020 -3.035 1.00 51.43 H new ATOM 0 HA3 GLY A 34 8.218 25.641 -1.702 1.00 51.43 H new ATOM 481 N ASP A 35 10.373 26.519 -0.332 1.00 55.34 N ATOM 482 CA ASP A 35 11.391 27.440 0.143 1.00 12.33 C ATOM 483 C ASP A 35 11.964 26.922 1.464 1.00 63.03 C ATOM 484 O ASP A 35 12.589 27.673 2.210 1.00 5.25 O ATOM 485 CB ASP A 35 10.802 28.829 0.397 1.00 40.54 C ATOM 486 CG ASP A 35 9.901 29.363 -0.719 1.00 44.31 C ATOM 487 OD1 ASP A 35 8.674 29.189 -0.688 1.00 21.04 O ATOM 488 OD2 ASP A 35 10.517 29.990 -1.664 1.00 11.34 O ATOM 0 H ASP A 35 9.740 26.174 0.389 1.00 55.34 H new ATOM 0 HA ASP A 35 12.165 27.510 -0.621 1.00 12.33 H new ATOM 0 HB2 ASP A 35 10.229 28.800 1.324 1.00 40.54 H new ATOM 0 HB3 ASP A 35 11.621 29.532 0.550 1.00 40.54 H new ATOM 494 N LYS A 36 11.731 25.641 1.711 1.00 0.51 N ATOM 495 CA LYS A 36 12.217 25.014 2.928 1.00 34.14 C ATOM 496 C LYS A 36 12.756 23.621 2.598 1.00 23.35 C ATOM 497 O LYS A 36 12.026 22.773 2.087 1.00 41.42 O ATOM 498 CB LYS A 36 11.127 25.013 4.002 1.00 33.22 C ATOM 499 CG LYS A 36 11.321 23.852 4.979 1.00 30.44 C ATOM 500 CD LYS A 36 10.315 23.929 6.130 1.00 70.14 C ATOM 501 CE LYS A 36 9.933 22.530 6.619 1.00 3.40 C ATOM 502 NZ LYS A 36 8.981 22.619 7.749 1.00 70.45 N ATOM 0 H LYS A 36 11.212 25.021 1.089 1.00 0.51 H new ATOM 0 HA LYS A 36 13.045 25.586 3.347 1.00 34.14 H new ATOM 0 HB2 LYS A 36 11.146 25.958 4.546 1.00 33.22 H new ATOM 0 HB3 LYS A 36 10.147 24.936 3.531 1.00 33.22 H new ATOM 0 HG2 LYS A 36 11.204 22.905 4.452 1.00 30.44 H new ATOM 0 HG3 LYS A 36 12.336 23.872 5.376 1.00 30.44 H new ATOM 0 HD2 LYS A 36 10.742 24.502 6.953 1.00 70.14 H new ATOM 0 HD3 LYS A 36 9.421 24.460 5.802 1.00 70.14 H new ATOM 0 HE2 LYS A 36 9.486 21.962 5.803 1.00 3.40 H new ATOM 0 HE3 LYS A 36 10.827 21.990 6.931 1.00 3.40 H new ATOM 0 HZ1 LYS A 36 8.732 21.661 8.069 1.00 70.45 H new ATOM 0 HZ2 LYS A 36 9.420 23.143 8.533 1.00 70.45 H new ATOM 0 HZ3 LYS A 36 8.121 23.116 7.440 1.00 70.45 H new ATOM 515 N LEU A 37 14.031 23.427 2.905 1.00 74.10 N ATOM 516 CA LEU A 37 14.677 22.151 2.647 1.00 14.14 C ATOM 517 C LEU A 37 13.988 21.060 3.470 1.00 11.43 C ATOM 518 O LEU A 37 13.970 21.123 4.699 1.00 71.44 O ATOM 519 CB LEU A 37 16.182 22.253 2.899 1.00 64.43 C ATOM 520 CG LEU A 37 17.037 21.125 2.317 1.00 60.25 C ATOM 521 CD1 LEU A 37 16.624 19.770 2.894 1.00 20.23 C ATOM 522 CD2 LEU A 37 16.990 21.134 0.787 1.00 14.43 C ATOM 0 H LEU A 37 14.633 24.132 3.330 1.00 74.10 H new ATOM 0 HA LEU A 37 14.570 21.875 1.598 1.00 14.14 H new ATOM 0 HB2 LEU A 37 16.536 23.199 2.489 1.00 64.43 H new ATOM 0 HB3 LEU A 37 16.348 22.290 3.976 1.00 64.43 H new ATOM 0 HG LEU A 37 18.073 21.297 2.609 1.00 60.25 H new ATOM 0 HD11 LEU A 37 17.247 18.986 2.464 1.00 20.23 H new ATOM 0 HD12 LEU A 37 16.751 19.781 3.976 1.00 20.23 H new ATOM 0 HD13 LEU A 37 15.579 19.575 2.654 1.00 20.23 H new ATOM 0 HD21 LEU A 37 17.606 20.323 0.399 1.00 14.43 H new ATOM 0 HD22 LEU A 37 15.961 21.000 0.454 1.00 14.43 H new ATOM 0 HD23 LEU A 37 17.370 22.086 0.417 1.00 14.43 H new ATOM 534 N ILE A 38 13.438 20.086 2.760 1.00 11.41 N ATOM 535 CA ILE A 38 12.750 18.984 3.409 1.00 32.53 C ATOM 536 C ILE A 38 13.781 17.984 3.937 1.00 3.40 C ATOM 537 O ILE A 38 14.026 17.917 5.141 1.00 63.05 O ATOM 538 CB ILE A 38 11.720 18.363 2.463 1.00 65.32 C ATOM 539 CG1 ILE A 38 10.787 19.432 1.890 1.00 21.54 C ATOM 540 CG2 ILE A 38 10.948 17.238 3.155 1.00 72.24 C ATOM 541 CD1 ILE A 38 9.861 19.988 2.974 1.00 70.22 C ATOM 0 H ILE A 38 13.455 20.037 1.741 1.00 11.41 H new ATOM 0 HA ILE A 38 12.184 19.343 4.269 1.00 32.53 H new ATOM 0 HB ILE A 38 12.253 17.918 1.623 1.00 65.32 H new ATOM 0 HG12 ILE A 38 11.376 20.242 1.459 1.00 21.54 H new ATOM 0 HG13 ILE A 38 10.192 19.006 1.082 1.00 21.54 H new ATOM 0 HG21 ILE A 38 10.223 16.814 2.461 1.00 72.24 H new ATOM 0 HG22 ILE A 38 11.644 16.461 3.472 1.00 72.24 H new ATOM 0 HG23 ILE A 38 10.427 17.636 4.026 1.00 72.24 H new ATOM 0 HD11 ILE A 38 9.208 20.746 2.541 1.00 70.22 H new ATOM 0 HD12 ILE A 38 9.256 19.180 3.385 1.00 70.22 H new ATOM 0 HD13 ILE A 38 10.458 20.435 3.769 1.00 70.22 H new ATOM 553 N GLU A 39 14.358 17.233 3.011 1.00 41.14 N ATOM 554 CA GLU A 39 15.358 16.241 3.367 1.00 34.44 C ATOM 555 C GLU A 39 16.569 16.350 2.439 1.00 2.05 C ATOM 556 O GLU A 39 16.632 17.245 1.598 1.00 60.22 O ATOM 557 CB GLU A 39 14.766 14.830 3.333 1.00 62.02 C ATOM 558 CG GLU A 39 14.628 14.328 1.894 1.00 40.40 C ATOM 559 CD GLU A 39 13.719 13.100 1.827 1.00 70.43 C ATOM 560 OE1 GLU A 39 13.390 12.514 2.869 1.00 14.20 O ATOM 561 OE2 GLU A 39 13.352 12.757 0.638 1.00 13.53 O ATOM 0 H GLU A 39 14.152 17.292 2.014 1.00 41.14 H new ATOM 0 HA GLU A 39 15.689 16.437 4.387 1.00 34.44 H new ATOM 0 HB2 GLU A 39 15.403 14.151 3.899 1.00 62.02 H new ATOM 0 HB3 GLU A 39 13.790 14.830 3.817 1.00 62.02 H new ATOM 0 HG2 GLU A 39 14.221 15.121 1.266 1.00 40.40 H new ATOM 0 HG3 GLU A 39 15.612 14.079 1.496 1.00 40.40 H new ATOM 569 N LYS A 40 17.501 15.427 2.625 1.00 64.05 N ATOM 570 CA LYS A 40 18.708 15.409 1.814 1.00 34.45 C ATOM 571 C LYS A 40 19.055 13.962 1.458 1.00 24.23 C ATOM 572 O LYS A 40 18.803 13.048 2.242 1.00 73.12 O ATOM 573 CB LYS A 40 19.839 16.157 2.522 1.00 63.05 C ATOM 574 CG LYS A 40 20.734 16.878 1.512 1.00 44.32 C ATOM 575 CD LYS A 40 21.935 17.524 2.207 1.00 53.45 C ATOM 576 CE LYS A 40 21.520 18.171 3.529 1.00 14.25 C ATOM 577 NZ LYS A 40 22.689 18.790 4.193 1.00 31.34 N ATOM 0 H LYS A 40 17.446 14.687 3.324 1.00 64.05 H new ATOM 0 HA LYS A 40 18.546 15.939 0.875 1.00 34.45 H new ATOM 0 HB2 LYS A 40 19.420 16.879 3.223 1.00 63.05 H new ATOM 0 HB3 LYS A 40 20.435 15.455 3.106 1.00 63.05 H new ATOM 0 HG2 LYS A 40 21.082 16.171 0.759 1.00 44.32 H new ATOM 0 HG3 LYS A 40 20.157 17.642 0.990 1.00 44.32 H new ATOM 0 HD2 LYS A 40 22.701 16.771 2.391 1.00 53.45 H new ATOM 0 HD3 LYS A 40 22.377 18.276 1.553 1.00 53.45 H new ATOM 0 HE2 LYS A 40 20.756 18.926 3.347 1.00 14.25 H new ATOM 0 HE3 LYS A 40 21.077 17.421 4.184 1.00 14.25 H new ATOM 0 HZ1 LYS A 40 22.389 19.225 5.089 1.00 31.34 H new ATOM 0 HZ2 LYS A 40 23.406 18.061 4.384 1.00 31.34 H new ATOM 0 HZ3 LYS A 40 23.094 19.520 3.573 1.00 31.34 H new ATOM 590 N LEU A 41 19.630 13.799 0.276 1.00 51.04 N ATOM 591 CA LEU A 41 20.015 12.479 -0.194 1.00 21.00 C ATOM 592 C LEU A 41 21.404 12.554 -0.831 1.00 41.21 C ATOM 593 O LEU A 41 21.920 13.643 -1.076 1.00 5.41 O ATOM 594 CB LEU A 41 18.943 11.907 -1.123 1.00 75.30 C ATOM 595 CG LEU A 41 17.506 12.355 -0.845 1.00 61.42 C ATOM 596 CD1 LEU A 41 16.641 12.232 -2.101 1.00 41.41 C ATOM 597 CD2 LEU A 41 16.912 11.587 0.337 1.00 15.03 C ATOM 0 H LEU A 41 19.839 14.560 -0.371 1.00 51.04 H new ATOM 0 HA LEU A 41 20.084 11.783 0.642 1.00 21.00 H new ATOM 0 HB2 LEU A 41 19.196 12.179 -2.148 1.00 75.30 H new ATOM 0 HB3 LEU A 41 18.981 10.819 -1.063 1.00 75.30 H new ATOM 0 HG LEU A 41 17.524 13.409 -0.568 1.00 61.42 H new ATOM 0 HD11 LEU A 41 15.625 12.556 -1.876 1.00 41.41 H new ATOM 0 HD12 LEU A 41 17.056 12.858 -2.891 1.00 41.41 H new ATOM 0 HD13 LEU A 41 16.625 11.194 -2.432 1.00 41.41 H new ATOM 0 HD21 LEU A 41 15.891 11.924 0.514 1.00 15.03 H new ATOM 0 HD22 LEU A 41 16.908 10.520 0.113 1.00 15.03 H new ATOM 0 HD23 LEU A 41 17.513 11.769 1.228 1.00 15.03 H new ATOM 609 N ILE A 42 21.970 11.382 -1.081 1.00 55.54 N ATOM 610 CA ILE A 42 23.289 11.302 -1.685 1.00 73.23 C ATOM 611 C ILE A 42 23.158 10.783 -3.119 1.00 13.32 C ATOM 612 O ILE A 42 22.247 10.015 -3.424 1.00 54.41 O ATOM 613 CB ILE A 42 24.227 10.466 -0.812 1.00 43.45 C ATOM 614 CG1 ILE A 42 24.627 11.231 0.451 1.00 13.12 C ATOM 615 CG2 ILE A 42 25.447 10.000 -1.610 1.00 21.13 C ATOM 616 CD1 ILE A 42 23.391 11.680 1.234 1.00 20.51 C ATOM 0 H ILE A 42 21.539 10.480 -0.876 1.00 55.54 H new ATOM 0 HA ILE A 42 23.742 12.292 -1.744 1.00 73.23 H new ATOM 0 HB ILE A 42 23.691 9.573 -0.491 1.00 43.45 H new ATOM 0 HG12 ILE A 42 25.251 10.598 1.082 1.00 13.12 H new ATOM 0 HG13 ILE A 42 25.226 12.100 0.180 1.00 13.12 H new ATOM 0 HG21 ILE A 42 26.098 9.408 -0.967 1.00 21.13 H new ATOM 0 HG22 ILE A 42 25.120 9.392 -2.453 1.00 21.13 H new ATOM 0 HG23 ILE A 42 25.994 10.868 -1.979 1.00 21.13 H new ATOM 0 HD11 ILE A 42 23.703 12.221 2.127 1.00 20.51 H new ATOM 0 HD12 ILE A 42 22.781 12.332 0.609 1.00 20.51 H new ATOM 0 HD13 ILE A 42 22.807 10.807 1.525 1.00 20.51 H new ATOM 628 N ILE A 43 24.082 11.224 -3.960 1.00 75.21 N ATOM 629 CA ILE A 43 24.081 10.814 -5.354 1.00 72.21 C ATOM 630 C ILE A 43 25.524 10.646 -5.833 1.00 23.24 C ATOM 631 O ILE A 43 25.782 10.595 -7.034 1.00 52.53 O ATOM 632 CB ILE A 43 23.262 11.792 -6.200 1.00 25.32 C ATOM 633 CG1 ILE A 43 23.701 13.236 -5.947 1.00 24.51 C ATOM 634 CG2 ILE A 43 21.763 11.599 -5.964 1.00 21.20 C ATOM 635 CD1 ILE A 43 24.570 13.753 -7.095 1.00 3.41 C ATOM 0 H ILE A 43 24.836 11.861 -3.703 1.00 75.21 H new ATOM 0 HA ILE A 43 23.593 9.846 -5.466 1.00 72.21 H new ATOM 0 HB ILE A 43 23.452 11.577 -7.251 1.00 25.32 H new ATOM 0 HG12 ILE A 43 22.823 13.873 -5.835 1.00 24.51 H new ATOM 0 HG13 ILE A 43 24.257 13.292 -5.011 1.00 24.51 H new ATOM 0 HG21 ILE A 43 21.204 12.306 -6.577 1.00 21.20 H new ATOM 0 HG22 ILE A 43 21.480 10.582 -6.234 1.00 21.20 H new ATOM 0 HG23 ILE A 43 21.535 11.772 -4.912 1.00 21.20 H new ATOM 0 HD11 ILE A 43 24.869 14.781 -6.891 1.00 3.41 H new ATOM 0 HD12 ILE A 43 25.459 13.129 -7.188 1.00 3.41 H new ATOM 0 HD13 ILE A 43 24.003 13.718 -8.025 1.00 3.41 H new ATOM 647 N ASP A 44 26.428 10.564 -4.867 1.00 61.43 N ATOM 648 CA ASP A 44 27.839 10.402 -5.175 1.00 0.31 C ATOM 649 C ASP A 44 28.269 8.973 -4.840 1.00 24.22 C ATOM 650 O ASP A 44 29.305 8.764 -4.210 1.00 1.11 O ATOM 651 CB ASP A 44 28.696 11.361 -4.346 1.00 65.32 C ATOM 652 CG ASP A 44 28.529 11.233 -2.831 1.00 34.12 C ATOM 653 OD1 ASP A 44 28.492 12.238 -2.105 1.00 65.22 O ATOM 654 OD2 ASP A 44 28.431 10.023 -2.393 1.00 43.32 O ATOM 0 H ASP A 44 26.211 10.607 -3.871 1.00 61.43 H new ATOM 0 HA ASP A 44 27.980 10.616 -6.234 1.00 0.31 H new ATOM 0 HB2 ASP A 44 29.744 11.196 -4.596 1.00 65.32 H new ATOM 0 HB3 ASP A 44 28.456 12.383 -4.638 1.00 65.32 H new ATOM 660 N GLU A 45 27.452 8.025 -5.276 1.00 4.31 N ATOM 661 CA GLU A 45 27.736 6.622 -5.030 1.00 74.51 C ATOM 662 C GLU A 45 27.597 5.817 -6.324 1.00 41.54 C ATOM 663 O GLU A 45 28.458 5.000 -6.647 1.00 11.13 O ATOM 664 CB GLU A 45 26.824 6.062 -3.937 1.00 32.54 C ATOM 665 CG GLU A 45 26.440 7.150 -2.932 1.00 23.11 C ATOM 666 CD GLU A 45 25.616 6.568 -1.782 1.00 12.23 C ATOM 667 OE1 GLU A 45 24.794 7.280 -1.186 1.00 52.51 O ATOM 668 OE2 GLU A 45 25.852 5.329 -1.514 1.00 22.23 O ATOM 0 H GLU A 45 26.594 8.201 -5.798 1.00 4.31 H new ATOM 0 HA GLU A 45 28.765 6.536 -4.680 1.00 74.51 H new ATOM 0 HB2 GLU A 45 25.924 5.645 -4.388 1.00 32.54 H new ATOM 0 HB3 GLU A 45 27.329 5.246 -3.420 1.00 32.54 H new ATOM 0 HG2 GLU A 45 27.341 7.620 -2.537 1.00 23.11 H new ATOM 0 HG3 GLU A 45 25.868 7.930 -3.435 1.00 23.11 H new ATOM 676 N LYS A 46 26.507 6.078 -7.031 1.00 62.33 N ATOM 677 CA LYS A 46 26.245 5.388 -8.283 1.00 51.43 C ATOM 678 C LYS A 46 26.296 6.395 -9.435 1.00 34.42 C ATOM 679 O LYS A 46 26.654 7.554 -9.235 1.00 51.32 O ATOM 680 CB LYS A 46 24.929 4.612 -8.202 1.00 52.42 C ATOM 681 CG LYS A 46 23.847 5.439 -7.504 1.00 21.13 C ATOM 682 CD LYS A 46 23.494 6.683 -8.321 1.00 44.12 C ATOM 683 CE LYS A 46 23.998 7.953 -7.632 1.00 72.10 C ATOM 684 NZ LYS A 46 23.194 9.123 -8.050 1.00 51.12 N ATOM 0 H LYS A 46 25.796 6.757 -6.761 1.00 62.33 H new ATOM 0 HA LYS A 46 27.016 4.642 -8.476 1.00 51.43 H new ATOM 0 HB2 LYS A 46 24.597 4.346 -9.206 1.00 52.42 H new ATOM 0 HB3 LYS A 46 25.085 3.679 -7.660 1.00 52.42 H new ATOM 0 HG2 LYS A 46 22.955 4.829 -7.360 1.00 21.13 H new ATOM 0 HG3 LYS A 46 24.194 5.736 -6.514 1.00 21.13 H new ATOM 0 HD2 LYS A 46 23.933 6.606 -9.316 1.00 44.12 H new ATOM 0 HD3 LYS A 46 22.414 6.741 -8.453 1.00 44.12 H new ATOM 0 HE2 LYS A 46 23.942 7.834 -6.550 1.00 72.10 H new ATOM 0 HE3 LYS A 46 25.046 8.117 -7.881 1.00 72.10 H new ATOM 0 HZ1 LYS A 46 23.819 9.943 -8.186 1.00 51.12 H new ATOM 0 HZ2 LYS A 46 22.706 8.908 -8.943 1.00 51.12 H new ATOM 0 HZ3 LYS A 46 22.491 9.342 -7.315 1.00 51.12 H new ATOM 697 N LYS A 47 25.932 5.914 -10.615 1.00 12.14 N ATOM 698 CA LYS A 47 25.931 6.757 -11.798 1.00 43.12 C ATOM 699 C LYS A 47 24.503 6.877 -12.333 1.00 71.22 C ATOM 700 O LYS A 47 24.253 7.611 -13.288 1.00 2.11 O ATOM 701 CB LYS A 47 26.932 6.233 -12.830 1.00 4.03 C ATOM 702 CG LYS A 47 26.265 5.245 -13.789 1.00 10.41 C ATOM 703 CD LYS A 47 26.257 3.832 -13.203 1.00 1.11 C ATOM 704 CE LYS A 47 27.678 3.363 -12.884 1.00 20.01 C ATOM 705 NZ LYS A 47 27.748 1.885 -12.886 1.00 65.45 N ATOM 0 H LYS A 47 25.636 4.951 -10.777 1.00 12.14 H new ATOM 0 HA LYS A 47 26.264 7.764 -11.548 1.00 43.12 H new ATOM 0 HB2 LYS A 47 27.349 7.068 -13.394 1.00 4.03 H new ATOM 0 HB3 LYS A 47 27.763 5.746 -12.321 1.00 4.03 H new ATOM 0 HG2 LYS A 47 25.243 5.564 -13.992 1.00 10.41 H new ATOM 0 HG3 LYS A 47 26.794 5.244 -14.742 1.00 10.41 H new ATOM 0 HD2 LYS A 47 25.652 3.814 -12.296 1.00 1.11 H new ATOM 0 HD3 LYS A 47 25.793 3.144 -13.910 1.00 1.11 H new ATOM 0 HE2 LYS A 47 28.374 3.767 -13.619 1.00 20.01 H new ATOM 0 HE3 LYS A 47 27.984 3.746 -11.911 1.00 20.01 H new ATOM 0 HZ1 LYS A 47 28.719 1.583 -12.668 1.00 65.45 H new ATOM 0 HZ2 LYS A 47 27.098 1.506 -12.168 1.00 65.45 H new ATOM 0 HZ3 LYS A 47 27.476 1.526 -13.823 1.00 65.45 H new ATOM 718 N TYR A 48 23.603 6.144 -11.695 1.00 34.14 N ATOM 719 CA TYR A 48 22.206 6.159 -12.094 1.00 73.33 C ATOM 720 C TYR A 48 21.310 5.620 -10.977 1.00 12.31 C ATOM 721 O TYR A 48 21.517 4.510 -10.491 1.00 24.33 O ATOM 722 CB TYR A 48 22.104 5.230 -13.306 1.00 32.44 C ATOM 723 CG TYR A 48 21.622 3.817 -12.968 1.00 11.42 C ATOM 724 CD1 TYR A 48 20.322 3.613 -12.552 1.00 32.13 C ATOM 725 CD2 TYR A 48 22.487 2.748 -13.079 1.00 30.10 C ATOM 726 CE1 TYR A 48 19.868 2.284 -12.234 1.00 22.22 C ATOM 727 CE2 TYR A 48 22.033 1.419 -12.761 1.00 63.30 C ATOM 728 CZ TYR A 48 20.746 1.252 -12.354 1.00 43.31 C ATOM 729 OH TYR A 48 20.318 -0.003 -12.054 1.00 32.12 O ATOM 0 H TYR A 48 23.814 5.535 -10.904 1.00 34.14 H new ATOM 0 HA TYR A 48 21.882 7.175 -12.317 1.00 73.33 H new ATOM 0 HB2 TYR A 48 21.422 5.671 -14.033 1.00 32.44 H new ATOM 0 HB3 TYR A 48 23.081 5.165 -13.784 1.00 32.44 H new ATOM 0 HD1 TYR A 48 19.645 4.450 -12.465 1.00 32.13 H new ATOM 0 HD2 TYR A 48 23.504 2.908 -13.404 1.00 30.10 H new ATOM 0 HE1 TYR A 48 18.853 2.111 -11.908 1.00 22.22 H new ATOM 0 HE2 TYR A 48 22.700 0.573 -12.844 1.00 63.30 H new ATOM 0 HH TYR A 48 21.052 -0.639 -12.187 1.00 32.12 H new ATOM 739 N TYR A 49 20.333 6.433 -10.602 1.00 73.21 N ATOM 740 CA TYR A 49 19.404 6.052 -9.551 1.00 45.10 C ATOM 741 C TYR A 49 17.967 6.023 -10.073 1.00 74.04 C ATOM 742 O TYR A 49 17.739 6.087 -11.281 1.00 5.45 O ATOM 743 CB TYR A 49 19.521 7.132 -8.474 1.00 3.13 C ATOM 744 CG TYR A 49 20.355 6.714 -7.261 1.00 61.12 C ATOM 745 CD1 TYR A 49 20.299 5.414 -6.800 1.00 15.53 C ATOM 746 CD2 TYR A 49 21.164 7.636 -6.629 1.00 1.14 C ATOM 747 CE1 TYR A 49 21.083 5.021 -5.658 1.00 63.24 C ATOM 748 CE2 TYR A 49 21.949 7.242 -5.487 1.00 50.43 C ATOM 749 CZ TYR A 49 21.870 5.954 -5.058 1.00 52.25 C ATOM 750 OH TYR A 49 22.611 5.582 -3.981 1.00 1.44 O ATOM 0 H TYR A 49 20.164 7.354 -11.007 1.00 73.21 H new ATOM 0 HA TYR A 49 19.639 5.057 -9.173 1.00 45.10 H new ATOM 0 HB2 TYR A 49 19.963 8.025 -8.916 1.00 3.13 H new ATOM 0 HB3 TYR A 49 18.521 7.405 -8.138 1.00 3.13 H new ATOM 0 HD1 TYR A 49 19.667 4.692 -7.296 1.00 15.53 H new ATOM 0 HD2 TYR A 49 21.209 8.653 -6.990 1.00 1.14 H new ATOM 0 HE1 TYR A 49 21.047 4.008 -5.286 1.00 63.24 H new ATOM 0 HE2 TYR A 49 22.586 7.954 -4.983 1.00 50.43 H new ATOM 0 HH TYR A 49 23.125 6.351 -3.656 1.00 1.44 H new ATOM 760 N LEU A 50 17.033 5.926 -9.138 1.00 61.22 N ATOM 761 CA LEU A 50 15.624 5.887 -9.489 1.00 55.31 C ATOM 762 C LEU A 50 14.866 6.919 -8.651 1.00 54.24 C ATOM 763 O LEU A 50 15.442 7.550 -7.767 1.00 1.22 O ATOM 764 CB LEU A 50 15.077 4.465 -9.355 1.00 34.23 C ATOM 765 CG LEU A 50 15.623 3.439 -10.350 1.00 50.33 C ATOM 766 CD1 LEU A 50 16.662 2.532 -9.688 1.00 41.33 C ATOM 767 CD2 LEU A 50 14.488 2.638 -10.991 1.00 13.13 C ATOM 0 H LEU A 50 17.225 5.873 -8.138 1.00 61.22 H new ATOM 0 HA LEU A 50 15.484 6.160 -10.535 1.00 55.31 H new ATOM 0 HB2 LEU A 50 15.287 4.110 -8.346 1.00 34.23 H new ATOM 0 HB3 LEU A 50 13.993 4.503 -9.461 1.00 34.23 H new ATOM 0 HG LEU A 50 16.129 3.977 -11.151 1.00 50.33 H new ATOM 0 HD11 LEU A 50 17.034 1.812 -10.417 1.00 41.33 H new ATOM 0 HD12 LEU A 50 17.491 3.137 -9.320 1.00 41.33 H new ATOM 0 HD13 LEU A 50 16.203 2.000 -8.855 1.00 41.33 H new ATOM 0 HD21 LEU A 50 14.904 1.916 -11.694 1.00 13.13 H new ATOM 0 HD22 LEU A 50 13.932 2.111 -10.216 1.00 13.13 H new ATOM 0 HD23 LEU A 50 13.818 3.316 -11.521 1.00 13.13 H new ATOM 779 N PHE A 51 13.585 7.059 -8.960 1.00 13.11 N ATOM 780 CA PHE A 51 12.742 8.004 -8.247 1.00 31.44 C ATOM 781 C PHE A 51 11.261 7.721 -8.505 1.00 74.40 C ATOM 782 O PHE A 51 10.757 7.977 -9.598 1.00 3.54 O ATOM 783 CB PHE A 51 13.083 9.397 -8.778 1.00 11.20 C ATOM 784 CG PHE A 51 14.091 10.162 -7.918 1.00 22.43 C ATOM 785 CD1 PHE A 51 13.705 10.691 -6.726 1.00 30.11 C ATOM 786 CD2 PHE A 51 15.374 10.312 -8.345 1.00 33.32 C ATOM 787 CE1 PHE A 51 14.641 11.400 -5.927 1.00 52.35 C ATOM 788 CE2 PHE A 51 16.309 11.021 -7.546 1.00 44.13 C ATOM 789 CZ PHE A 51 15.923 11.550 -6.355 1.00 3.44 C ATOM 0 H PHE A 51 13.110 6.534 -9.694 1.00 13.11 H new ATOM 0 HA PHE A 51 12.918 7.923 -7.174 1.00 31.44 H new ATOM 0 HB2 PHE A 51 13.481 9.302 -9.788 1.00 11.20 H new ATOM 0 HB3 PHE A 51 12.166 9.981 -8.851 1.00 11.20 H new ATOM 0 HD1 PHE A 51 12.687 10.572 -6.387 1.00 30.11 H new ATOM 0 HD2 PHE A 51 15.681 9.892 -9.291 1.00 33.32 H new ATOM 0 HE1 PHE A 51 14.335 11.820 -4.980 1.00 52.35 H new ATOM 0 HE2 PHE A 51 17.328 11.140 -7.885 1.00 44.13 H new ATOM 0 HZ PHE A 51 16.635 12.090 -5.748 1.00 3.44 H new ATOM 799 N GLY A 52 10.604 7.195 -7.481 1.00 41.12 N ATOM 800 CA GLY A 52 9.191 6.874 -7.584 1.00 14.42 C ATOM 801 C GLY A 52 8.559 6.732 -6.198 1.00 34.13 C ATOM 802 O GLY A 52 8.215 7.728 -5.563 1.00 74.20 O ATOM 0 H GLY A 52 11.025 6.983 -6.576 1.00 41.12 H new ATOM 0 HA2 GLY A 52 8.677 7.655 -8.144 1.00 14.42 H new ATOM 0 HA3 GLY A 52 9.065 5.946 -8.142 1.00 14.42 H new ATOM 806 N ARG A 53 8.425 5.485 -5.769 1.00 0.53 N ATOM 807 CA ARG A 53 7.841 5.200 -4.469 1.00 75.25 C ATOM 808 C ARG A 53 8.246 3.801 -4.001 1.00 74.43 C ATOM 809 O ARG A 53 8.567 3.603 -2.831 1.00 22.23 O ATOM 810 CB ARG A 53 6.314 5.291 -4.520 1.00 41.12 C ATOM 811 CG ARG A 53 5.846 5.927 -5.831 1.00 21.40 C ATOM 812 CD ARG A 53 4.322 5.876 -5.951 1.00 54.01 C ATOM 813 NE ARG A 53 3.875 4.478 -6.144 1.00 42.32 N ATOM 814 CZ ARG A 53 2.593 4.117 -6.364 1.00 22.42 C ATOM 815 NH1 ARG A 53 1.618 5.049 -6.420 1.00 64.20 N ATOM 816 NH2 ARG A 53 2.307 2.838 -6.523 1.00 22.24 N ATOM 0 H ARG A 53 8.711 4.661 -6.298 1.00 0.53 H new ATOM 0 HA ARG A 53 8.215 5.945 -3.766 1.00 75.25 H new ATOM 0 HB2 ARG A 53 5.883 4.295 -4.421 1.00 41.12 H new ATOM 0 HB3 ARG A 53 5.953 5.880 -3.677 1.00 41.12 H new ATOM 0 HG2 ARG A 53 6.184 6.962 -5.878 1.00 21.40 H new ATOM 0 HG3 ARG A 53 6.299 5.405 -6.674 1.00 21.40 H new ATOM 0 HD2 ARG A 53 3.864 6.292 -5.053 1.00 54.01 H new ATOM 0 HD3 ARG A 53 3.994 6.490 -6.790 1.00 54.01 H new ATOM 0 HE ARG A 53 4.580 3.741 -6.109 1.00 42.32 H new ATOM 0 HH11 ARG A 53 1.847 6.035 -6.296 1.00 64.20 H new ATOM 0 HH12 ARG A 53 0.652 4.767 -6.587 1.00 64.20 H new ATOM 0 HH21 ARG A 53 3.049 2.140 -6.479 1.00 22.24 H new ATOM 0 HH22 ARG A 53 1.344 2.548 -6.690 1.00 22.24 H new ATOM 829 N ASN A 54 8.217 2.866 -4.940 1.00 33.12 N ATOM 830 CA ASN A 54 8.577 1.491 -4.638 1.00 71.10 C ATOM 831 C ASN A 54 10.101 1.356 -4.637 1.00 71.13 C ATOM 832 O ASN A 54 10.737 1.458 -5.685 1.00 2.31 O ATOM 833 CB ASN A 54 8.018 0.531 -5.690 1.00 53.43 C ATOM 834 CG ASN A 54 7.191 -0.578 -5.037 1.00 13.41 C ATOM 835 OD1 ASN A 54 6.043 -0.814 -5.377 1.00 10.03 O ATOM 836 ND2 ASN A 54 7.836 -1.243 -4.083 1.00 14.54 N ATOM 0 H ASN A 54 7.950 3.034 -5.910 1.00 33.12 H new ATOM 0 HA ASN A 54 8.160 1.240 -3.663 1.00 71.10 H new ATOM 0 HB2 ASN A 54 7.399 1.082 -6.398 1.00 53.43 H new ATOM 0 HB3 ASN A 54 8.838 0.091 -6.258 1.00 53.43 H new ATOM 0 HD21 ASN A 54 7.370 -2.002 -3.586 1.00 14.54 H new ATOM 0 HD22 ASN A 54 8.797 -0.994 -3.848 1.00 14.54 H new ATOM 843 N PRO A 55 10.657 1.122 -3.418 1.00 74.03 N ATOM 844 CA PRO A 55 12.094 0.972 -3.267 1.00 71.14 C ATOM 845 C PRO A 55 12.560 -0.392 -3.780 1.00 34.51 C ATOM 846 O PRO A 55 13.736 -0.575 -4.090 1.00 52.42 O ATOM 847 CB PRO A 55 12.356 1.170 -1.783 1.00 45.24 C ATOM 848 CG PRO A 55 11.019 0.962 -1.092 1.00 31.10 C ATOM 849 CD PRO A 55 9.934 0.995 -2.156 1.00 61.30 C ATOM 0 HA PRO A 55 12.657 1.695 -3.857 1.00 71.14 H new ATOM 0 HB2 PRO A 55 13.098 0.459 -1.419 1.00 45.24 H new ATOM 0 HB3 PRO A 55 12.747 2.168 -1.585 1.00 45.24 H new ATOM 0 HG2 PRO A 55 11.007 0.009 -0.564 1.00 31.10 H new ATOM 0 HG3 PRO A 55 10.848 1.741 -0.349 1.00 31.10 H new ATOM 0 HD2 PRO A 55 9.331 0.087 -2.135 1.00 61.30 H new ATOM 0 HD3 PRO A 55 9.254 1.833 -2.003 1.00 61.30 H new ATOM 857 N ASP A 56 11.613 -1.316 -3.853 1.00 74.11 N ATOM 858 CA ASP A 56 11.911 -2.658 -4.323 1.00 31.41 C ATOM 859 C ASP A 56 12.451 -2.585 -5.753 1.00 34.43 C ATOM 860 O ASP A 56 13.032 -3.548 -6.250 1.00 63.13 O ATOM 861 CB ASP A 56 10.653 -3.530 -4.336 1.00 44.51 C ATOM 862 CG ASP A 56 10.849 -4.939 -4.898 1.00 70.11 C ATOM 863 OD1 ASP A 56 11.204 -5.114 -6.073 1.00 63.41 O ATOM 864 OD2 ASP A 56 10.618 -5.896 -4.064 1.00 54.50 O ATOM 0 H ASP A 56 10.639 -1.161 -3.594 1.00 74.11 H new ATOM 0 HA ASP A 56 12.646 -3.096 -3.648 1.00 31.41 H new ATOM 0 HB2 ASP A 56 10.275 -3.611 -3.317 1.00 44.51 H new ATOM 0 HB3 ASP A 56 9.885 -3.025 -4.922 1.00 44.51 H new ATOM 870 N LEU A 57 12.238 -1.434 -6.373 1.00 63.12 N ATOM 871 CA LEU A 57 12.696 -1.223 -7.736 1.00 2.11 C ATOM 872 C LEU A 57 13.609 0.004 -7.778 1.00 40.22 C ATOM 873 O LEU A 57 14.687 -0.040 -8.369 1.00 1.21 O ATOM 874 CB LEU A 57 11.506 -1.137 -8.694 1.00 21.43 C ATOM 875 CG LEU A 57 10.179 -1.684 -8.165 1.00 33.24 C ATOM 876 CD1 LEU A 57 9.012 -1.240 -9.048 1.00 55.32 C ATOM 877 CD2 LEU A 57 10.234 -3.205 -8.011 1.00 64.41 C ATOM 0 H LEU A 57 11.755 -0.638 -5.957 1.00 63.12 H new ATOM 0 HA LEU A 57 13.288 -2.073 -8.075 1.00 2.11 H new ATOM 0 HB2 LEU A 57 11.362 -0.092 -8.970 1.00 21.43 H new ATOM 0 HB3 LEU A 57 11.760 -1.675 -9.607 1.00 21.43 H new ATOM 0 HG LEU A 57 10.010 -1.266 -7.173 1.00 33.24 H new ATOM 0 HD11 LEU A 57 8.081 -1.643 -8.650 1.00 55.32 H new ATOM 0 HD12 LEU A 57 8.960 -0.151 -9.062 1.00 55.32 H new ATOM 0 HD13 LEU A 57 9.162 -1.609 -10.062 1.00 55.32 H new ATOM 0 HD21 LEU A 57 9.278 -3.567 -7.633 1.00 64.41 H new ATOM 0 HD22 LEU A 57 10.438 -3.662 -8.979 1.00 64.41 H new ATOM 0 HD23 LEU A 57 11.025 -3.471 -7.310 1.00 64.41 H new ATOM 889 N CYS A 58 13.144 1.070 -7.144 1.00 53.30 N ATOM 890 CA CYS A 58 13.905 2.307 -7.102 1.00 12.42 C ATOM 891 C CYS A 58 14.734 2.318 -5.816 1.00 71.40 C ATOM 892 O CYS A 58 14.501 1.511 -4.917 1.00 2.32 O ATOM 893 CB CYS A 58 12.996 3.534 -7.205 1.00 3.21 C ATOM 894 SG CYS A 58 11.876 3.364 -8.642 1.00 11.13 S ATOM 0 H CYS A 58 12.249 1.103 -6.655 1.00 53.30 H new ATOM 0 HA CYS A 58 14.571 2.356 -7.963 1.00 12.42 H new ATOM 0 HB2 CYS A 58 12.413 3.643 -6.290 1.00 3.21 H new ATOM 0 HB3 CYS A 58 13.599 4.436 -7.308 1.00 3.21 H new ATOM 0 HG CYS A 58 10.687 3.776 -8.316 1.00 11.13 H new ATOM 900 N ASP A 59 15.684 3.240 -5.770 1.00 23.41 N ATOM 901 CA ASP A 59 16.549 3.365 -4.609 1.00 42.41 C ATOM 902 C ASP A 59 15.952 4.390 -3.642 1.00 44.24 C ATOM 903 O ASP A 59 16.100 4.263 -2.428 1.00 33.50 O ATOM 904 CB ASP A 59 17.943 3.851 -5.011 1.00 63.21 C ATOM 905 CG ASP A 59 19.079 3.382 -4.099 1.00 40.22 C ATOM 906 OD1 ASP A 59 19.518 4.113 -3.199 1.00 34.15 O ATOM 907 OD2 ASP A 59 19.523 2.196 -4.346 1.00 53.44 O ATOM 0 H ASP A 59 15.874 3.907 -6.518 1.00 23.41 H new ATOM 0 HA ASP A 59 16.630 2.384 -4.141 1.00 42.41 H new ATOM 0 HB2 ASP A 59 18.150 3.514 -6.027 1.00 63.21 H new ATOM 0 HB3 ASP A 59 17.940 4.941 -5.031 1.00 63.21 H new ATOM 913 N PHE A 60 15.291 5.384 -4.218 1.00 21.32 N ATOM 914 CA PHE A 60 14.671 6.430 -3.422 1.00 63.13 C ATOM 915 C PHE A 60 13.149 6.279 -3.409 1.00 53.41 C ATOM 916 O PHE A 60 12.619 5.258 -3.843 1.00 75.11 O ATOM 917 CB PHE A 60 15.034 7.764 -4.077 1.00 43.12 C ATOM 918 CG PHE A 60 16.411 8.299 -3.677 1.00 51.25 C ATOM 919 CD1 PHE A 60 17.306 7.481 -3.063 1.00 24.33 C ATOM 920 CD2 PHE A 60 16.739 9.593 -3.937 1.00 0.21 C ATOM 921 CE1 PHE A 60 18.584 7.977 -2.692 1.00 11.32 C ATOM 922 CE2 PHE A 60 18.017 10.090 -3.566 1.00 34.12 C ATOM 923 CZ PHE A 60 18.912 9.271 -2.951 1.00 40.41 C ATOM 0 H PHE A 60 15.171 5.487 -5.226 1.00 21.32 H new ATOM 0 HA PHE A 60 15.024 6.373 -2.392 1.00 63.13 H new ATOM 0 HB2 PHE A 60 15.002 7.646 -5.160 1.00 43.12 H new ATOM 0 HB3 PHE A 60 14.278 8.504 -3.814 1.00 43.12 H new ATOM 0 HD1 PHE A 60 17.045 6.453 -2.857 1.00 24.33 H new ATOM 0 HD2 PHE A 60 16.028 10.243 -4.425 1.00 0.21 H new ATOM 0 HE1 PHE A 60 19.295 7.327 -2.204 1.00 11.32 H new ATOM 0 HE2 PHE A 60 18.278 11.118 -3.772 1.00 34.12 H new ATOM 0 HZ PHE A 60 19.884 9.649 -2.668 1.00 40.41 H new ATOM 933 N THR A 61 12.488 7.312 -2.906 1.00 44.13 N ATOM 934 CA THR A 61 11.037 7.308 -2.831 1.00 23.32 C ATOM 935 C THR A 61 10.502 8.740 -2.777 1.00 33.31 C ATOM 936 O THR A 61 10.824 9.493 -1.859 1.00 61.23 O ATOM 937 CB THR A 61 10.629 6.460 -1.624 1.00 3.51 C ATOM 938 OG1 THR A 61 11.603 6.777 -0.633 1.00 21.52 O ATOM 939 CG2 THR A 61 10.820 4.962 -1.869 1.00 13.21 C ATOM 0 H THR A 61 12.931 8.157 -2.546 1.00 44.13 H new ATOM 0 HA THR A 61 10.595 6.864 -3.723 1.00 23.32 H new ATOM 0 HB THR A 61 9.586 6.657 -1.378 1.00 3.51 H new ATOM 0 HG1 THR A 61 11.717 7.749 -0.585 1.00 21.52 H new ATOM 0 HG21 THR A 61 10.516 4.407 -0.982 1.00 13.21 H new ATOM 0 HG22 THR A 61 10.211 4.652 -2.718 1.00 13.21 H new ATOM 0 HG23 THR A 61 11.870 4.759 -2.082 1.00 13.21 H new ATOM 947 N ILE A 62 9.693 9.073 -3.772 1.00 33.31 N ATOM 948 CA ILE A 62 9.109 10.401 -3.849 1.00 43.25 C ATOM 949 C ILE A 62 8.134 10.594 -2.687 1.00 35.42 C ATOM 950 O ILE A 62 8.025 11.689 -2.138 1.00 33.01 O ATOM 951 CB ILE A 62 8.480 10.630 -5.225 1.00 53.50 C ATOM 952 CG1 ILE A 62 9.449 10.242 -6.343 1.00 42.33 C ATOM 953 CG2 ILE A 62 7.986 12.072 -5.369 1.00 22.42 C ATOM 954 CD1 ILE A 62 8.840 10.522 -7.719 1.00 21.04 C ATOM 0 H ILE A 62 9.428 8.446 -4.532 1.00 33.31 H new ATOM 0 HA ILE A 62 9.881 11.163 -3.746 1.00 43.25 H new ATOM 0 HB ILE A 62 7.609 9.980 -5.315 1.00 53.50 H new ATOM 0 HG12 ILE A 62 10.379 10.800 -6.233 1.00 42.33 H new ATOM 0 HG13 ILE A 62 9.700 9.184 -6.261 1.00 42.33 H new ATOM 0 HG21 ILE A 62 7.543 12.208 -6.356 1.00 22.42 H new ATOM 0 HG22 ILE A 62 7.237 12.278 -4.604 1.00 22.42 H new ATOM 0 HG23 ILE A 62 8.825 12.758 -5.250 1.00 22.42 H new ATOM 0 HD11 ILE A 62 9.550 10.237 -8.496 1.00 21.04 H new ATOM 0 HD12 ILE A 62 7.923 9.944 -7.836 1.00 21.04 H new ATOM 0 HD13 ILE A 62 8.613 11.584 -7.807 1.00 21.04 H new ATOM 966 N ASP A 63 7.449 9.512 -2.346 1.00 34.02 N ATOM 967 CA ASP A 63 6.486 9.548 -1.258 1.00 74.13 C ATOM 968 C ASP A 63 5.227 10.283 -1.722 1.00 14.41 C ATOM 969 O ASP A 63 4.815 11.265 -1.106 1.00 53.31 O ATOM 970 CB ASP A 63 7.050 10.294 -0.047 1.00 72.54 C ATOM 971 CG ASP A 63 6.349 9.996 1.280 1.00 71.34 C ATOM 972 OD1 ASP A 63 6.596 10.662 2.296 1.00 73.21 O ATOM 973 OD2 ASP A 63 5.506 9.020 1.244 1.00 73.02 O ATOM 0 H ASP A 63 7.542 8.605 -2.804 1.00 34.02 H new ATOM 0 HA ASP A 63 6.259 8.520 -0.974 1.00 74.13 H new ATOM 0 HB2 ASP A 63 8.107 10.046 0.054 1.00 72.54 H new ATOM 0 HB3 ASP A 63 6.991 11.365 -0.239 1.00 72.54 H new ATOM 979 N HIS A 64 4.650 9.780 -2.804 1.00 5.23 N ATOM 980 CA HIS A 64 3.447 10.377 -3.357 1.00 12.20 C ATOM 981 C HIS A 64 2.684 9.332 -4.173 1.00 32.30 C ATOM 982 O HIS A 64 3.282 8.582 -4.943 1.00 43.21 O ATOM 983 CB HIS A 64 3.785 11.630 -4.167 1.00 12.41 C ATOM 984 CG HIS A 64 2.728 12.707 -4.102 1.00 73.15 C ATOM 985 ND1 HIS A 64 1.533 12.545 -3.423 1.00 71.41 N ATOM 986 CD2 HIS A 64 2.699 13.961 -4.638 1.00 71.12 C ATOM 987 CE1 HIS A 64 0.824 13.657 -3.552 1.00 23.42 C ATOM 988 NE2 HIS A 64 1.548 14.533 -4.306 1.00 24.04 N ATOM 0 H HIS A 64 4.994 8.965 -3.312 1.00 5.23 H new ATOM 0 HA HIS A 64 2.794 10.703 -2.548 1.00 12.20 H new ATOM 0 HB2 HIS A 64 4.729 12.039 -3.807 1.00 12.41 H new ATOM 0 HB3 HIS A 64 3.937 11.347 -5.209 1.00 12.41 H new ATOM 0 HD2 HIS A 64 3.480 14.412 -5.232 1.00 71.12 H new ATOM 0 HE1 HIS A 64 -0.155 13.838 -3.134 1.00 23.42 H new ATOM 0 HE2 HIS A 64 1.254 15.473 -4.571 1.00 24.04 H new ATOM 996 N GLN A 65 1.374 9.315 -3.976 1.00 72.11 N ATOM 997 CA GLN A 65 0.523 8.374 -4.684 1.00 74.11 C ATOM 998 C GLN A 65 0.477 8.717 -6.174 1.00 72.24 C ATOM 999 O GLN A 65 0.500 7.825 -7.021 1.00 71.12 O ATOM 1000 CB GLN A 65 -0.885 8.349 -4.084 1.00 25.51 C ATOM 1001 CG GLN A 65 -1.741 9.484 -4.647 1.00 13.42 C ATOM 1002 CD GLN A 65 -3.131 9.492 -4.007 1.00 30.22 C ATOM 1003 OE1 GLN A 65 -4.102 9.009 -4.565 1.00 34.41 O ATOM 1004 NE2 GLN A 65 -3.171 10.065 -2.807 1.00 53.35 N ATOM 0 H GLN A 65 0.881 9.938 -3.336 1.00 72.11 H new ATOM 0 HA GLN A 65 0.948 7.376 -4.573 1.00 74.11 H new ATOM 0 HB2 GLN A 65 -1.359 7.391 -4.298 1.00 25.51 H new ATOM 0 HB3 GLN A 65 -0.824 8.439 -2.999 1.00 25.51 H new ATOM 0 HG2 GLN A 65 -1.248 10.440 -4.467 1.00 13.42 H new ATOM 0 HG3 GLN A 65 -1.835 9.372 -5.727 1.00 13.42 H new ATOM 0 HE21 GLN A 65 -2.320 10.450 -2.397 1.00 53.35 H new ATOM 0 HE22 GLN A 65 -4.053 10.119 -2.297 1.00 53.35 H new ATOM 1013 N SER A 66 0.413 10.011 -6.449 1.00 52.25 N ATOM 1014 CA SER A 66 0.364 10.483 -7.823 1.00 34.00 C ATOM 1015 C SER A 66 1.503 9.860 -8.631 1.00 65.14 C ATOM 1016 O SER A 66 1.271 9.266 -9.683 1.00 60.20 O ATOM 1017 CB SER A 66 0.442 12.010 -7.884 1.00 64.41 C ATOM 1018 OG SER A 66 -0.843 12.615 -7.772 1.00 43.41 O ATOM 0 H SER A 66 0.394 10.748 -5.744 1.00 52.25 H new ATOM 0 HA SER A 66 -0.589 10.178 -8.256 1.00 34.00 H new ATOM 0 HB2 SER A 66 1.085 12.373 -7.082 1.00 64.41 H new ATOM 0 HB3 SER A 66 0.904 12.312 -8.824 1.00 64.41 H new ATOM 0 HG SER A 66 -0.750 13.590 -7.814 1.00 43.41 H new ATOM 1024 N CYS A 67 2.711 10.017 -8.109 1.00 60.13 N ATOM 1025 CA CYS A 67 3.888 9.477 -8.769 1.00 53.23 C ATOM 1026 C CYS A 67 3.661 7.983 -9.009 1.00 2.22 C ATOM 1027 O CYS A 67 2.567 7.473 -8.777 1.00 35.44 O ATOM 1028 CB CYS A 67 5.160 9.739 -7.961 1.00 11.23 C ATOM 1029 SG CYS A 67 5.345 11.533 -7.650 1.00 25.01 S ATOM 0 H CYS A 67 2.900 10.510 -7.237 1.00 60.13 H new ATOM 0 HA CYS A 67 4.035 9.979 -9.725 1.00 53.23 H new ATOM 0 HB2 CYS A 67 5.117 9.200 -7.015 1.00 11.23 H new ATOM 0 HB3 CYS A 67 6.028 9.364 -8.502 1.00 11.23 H new ATOM 0 HG CYS A 67 5.903 12.097 -8.680 1.00 25.01 H new ATOM 1035 N SER A 68 4.714 7.324 -9.470 1.00 51.23 N ATOM 1036 CA SER A 68 4.644 5.899 -9.744 1.00 34.21 C ATOM 1037 C SER A 68 5.886 5.198 -9.190 1.00 33.21 C ATOM 1038 O SER A 68 6.865 5.852 -8.834 1.00 31.51 O ATOM 1039 CB SER A 68 4.508 5.632 -11.244 1.00 44.03 C ATOM 1040 OG SER A 68 4.879 4.299 -11.585 1.00 64.00 O ATOM 0 H SER A 68 5.621 7.751 -9.661 1.00 51.23 H new ATOM 0 HA SER A 68 3.758 5.499 -9.250 1.00 34.21 H new ATOM 0 HB2 SER A 68 3.478 5.812 -11.552 1.00 44.03 H new ATOM 0 HB3 SER A 68 5.133 6.335 -11.795 1.00 44.03 H new ATOM 0 HG SER A 68 4.777 4.168 -12.551 1.00 64.00 H new ATOM 1046 N ARG A 69 5.805 3.877 -9.135 1.00 31.45 N ATOM 1047 CA ARG A 69 6.910 3.080 -8.630 1.00 22.30 C ATOM 1048 C ARG A 69 8.242 3.643 -9.129 1.00 42.14 C ATOM 1049 O ARG A 69 9.183 3.802 -8.353 1.00 62.34 O ATOM 1050 CB ARG A 69 6.784 1.620 -9.072 1.00 12.42 C ATOM 1051 CG ARG A 69 5.706 0.894 -8.264 1.00 5.23 C ATOM 1052 CD ARG A 69 4.370 0.893 -9.009 1.00 20.23 C ATOM 1053 NE ARG A 69 3.603 -0.326 -8.669 1.00 72.43 N ATOM 1054 CZ ARG A 69 3.762 -1.517 -9.286 1.00 14.22 C ATOM 1055 NH1 ARG A 69 4.663 -1.658 -10.281 1.00 23.34 N ATOM 1056 NH2 ARG A 69 3.022 -2.540 -8.901 1.00 61.45 N ATOM 0 H ARG A 69 4.991 3.338 -9.432 1.00 31.45 H new ATOM 0 HA ARG A 69 6.878 3.122 -7.541 1.00 22.30 H new ATOM 0 HB2 ARG A 69 6.539 1.577 -10.133 1.00 12.42 H new ATOM 0 HB3 ARG A 69 7.741 1.114 -8.945 1.00 12.42 H new ATOM 0 HG2 ARG A 69 6.020 -0.132 -8.072 1.00 5.23 H new ATOM 0 HG3 ARG A 69 5.586 1.378 -7.295 1.00 5.23 H new ATOM 0 HD2 ARG A 69 3.795 1.780 -8.743 1.00 20.23 H new ATOM 0 HD3 ARG A 69 4.544 0.936 -10.084 1.00 20.23 H new ATOM 0 HE ARG A 69 2.911 -0.263 -7.922 1.00 72.43 H new ATOM 0 HH11 ARG A 69 5.230 -0.862 -10.572 1.00 23.34 H new ATOM 0 HH12 ARG A 69 4.777 -2.561 -10.742 1.00 23.34 H new ATOM 0 HH21 ARG A 69 2.343 -2.424 -8.149 1.00 61.45 H new ATOM 0 HH22 ARG A 69 3.129 -3.447 -9.356 1.00 61.45 H new ATOM 1069 N VAL A 70 8.279 3.930 -10.422 1.00 42.04 N ATOM 1070 CA VAL A 70 9.480 4.472 -11.035 1.00 3.35 C ATOM 1071 C VAL A 70 9.127 5.752 -11.795 1.00 14.00 C ATOM 1072 O VAL A 70 9.251 5.806 -13.018 1.00 14.25 O ATOM 1073 CB VAL A 70 10.140 3.413 -11.920 1.00 40.53 C ATOM 1074 CG1 VAL A 70 11.633 3.699 -12.097 1.00 33.25 C ATOM 1075 CG2 VAL A 70 9.913 2.009 -11.358 1.00 33.04 C ATOM 0 H VAL A 70 7.496 3.797 -11.062 1.00 42.04 H new ATOM 0 HA VAL A 70 10.211 4.739 -10.272 1.00 3.35 H new ATOM 0 HB VAL A 70 9.672 3.459 -12.903 1.00 40.53 H new ATOM 0 HG11 VAL A 70 12.078 2.931 -12.730 1.00 33.25 H new ATOM 0 HG12 VAL A 70 11.764 4.675 -12.564 1.00 33.25 H new ATOM 0 HG13 VAL A 70 12.122 3.694 -11.123 1.00 33.25 H new ATOM 0 HG21 VAL A 70 10.393 1.276 -12.006 1.00 33.04 H new ATOM 0 HG22 VAL A 70 10.341 1.944 -10.358 1.00 33.04 H new ATOM 0 HG23 VAL A 70 8.843 1.805 -11.309 1.00 33.04 H new ATOM 1085 N HIS A 71 8.693 6.751 -11.040 1.00 22.53 N ATOM 1086 CA HIS A 71 8.321 8.026 -11.627 1.00 53.21 C ATOM 1087 C HIS A 71 9.377 8.448 -12.650 1.00 4.31 C ATOM 1088 O HIS A 71 9.045 8.817 -13.775 1.00 61.45 O ATOM 1089 CB HIS A 71 8.093 9.079 -10.540 1.00 65.05 C ATOM 1090 CG HIS A 71 7.644 10.420 -11.069 1.00 42.32 C ATOM 1091 ND1 HIS A 71 6.467 11.028 -10.669 1.00 31.22 N ATOM 1092 CD2 HIS A 71 8.226 11.264 -11.969 1.00 4.11 C ATOM 1093 CE1 HIS A 71 6.355 12.184 -11.306 1.00 3.12 C ATOM 1094 NE2 HIS A 71 7.446 12.328 -12.111 1.00 44.55 N ATOM 0 H HIS A 71 8.591 6.702 -10.026 1.00 22.53 H new ATOM 0 HA HIS A 71 7.374 7.924 -12.156 1.00 53.21 H new ATOM 0 HB2 HIS A 71 7.345 8.707 -9.840 1.00 65.05 H new ATOM 0 HB3 HIS A 71 9.017 9.213 -9.978 1.00 65.05 H new ATOM 0 HD1 HIS A 71 5.799 10.650 -9.997 1.00 31.22 H new ATOM 0 HD2 HIS A 71 9.163 11.095 -12.479 1.00 4.11 H new ATOM 0 HE1 HIS A 71 5.543 12.888 -11.205 1.00 3.12 H new ATOM 1103 N ALA A 72 10.629 8.381 -12.222 1.00 24.53 N ATOM 1104 CA ALA A 72 11.737 8.751 -13.086 1.00 41.00 C ATOM 1105 C ALA A 72 13.016 8.076 -12.587 1.00 30.25 C ATOM 1106 O ALA A 72 12.965 7.213 -11.712 1.00 25.33 O ATOM 1107 CB ALA A 72 11.862 10.275 -13.131 1.00 51.22 C ATOM 0 H ALA A 72 10.901 8.076 -11.287 1.00 24.53 H new ATOM 0 HA ALA A 72 11.560 8.408 -14.105 1.00 41.00 H new ATOM 0 HB1 ALA A 72 12.693 10.553 -13.779 1.00 51.22 H new ATOM 0 HB2 ALA A 72 10.939 10.704 -13.520 1.00 51.22 H new ATOM 0 HB3 ALA A 72 12.043 10.655 -12.126 1.00 51.22 H new ATOM 1113 N ALA A 73 14.132 8.495 -13.164 1.00 64.40 N ATOM 1114 CA ALA A 73 15.422 7.941 -12.788 1.00 44.15 C ATOM 1115 C ALA A 73 16.511 8.989 -13.028 1.00 3.04 C ATOM 1116 O ALA A 73 16.462 9.728 -14.010 1.00 31.31 O ATOM 1117 CB ALA A 73 15.672 6.651 -13.572 1.00 44.24 C ATOM 0 H ALA A 73 14.170 9.211 -13.889 1.00 64.40 H new ATOM 0 HA ALA A 73 15.436 7.686 -11.728 1.00 44.15 H new ATOM 0 HB1 ALA A 73 16.639 6.236 -13.290 1.00 44.24 H new ATOM 0 HB2 ALA A 73 14.887 5.929 -13.345 1.00 44.24 H new ATOM 0 HB3 ALA A 73 15.668 6.868 -14.640 1.00 44.24 H new ATOM 1123 N LEU A 74 17.469 9.020 -12.113 1.00 0.14 N ATOM 1124 CA LEU A 74 18.568 9.965 -12.212 1.00 2.34 C ATOM 1125 C LEU A 74 19.764 9.282 -12.878 1.00 2.12 C ATOM 1126 O LEU A 74 19.950 8.074 -12.739 1.00 2.22 O ATOM 1127 CB LEU A 74 18.887 10.562 -10.839 1.00 52.23 C ATOM 1128 CG LEU A 74 20.035 11.573 -10.798 1.00 30.44 C ATOM 1129 CD1 LEU A 74 19.876 12.535 -9.619 1.00 53.01 C ATOM 1130 CD2 LEU A 74 21.390 10.862 -10.778 1.00 50.24 C ATOM 0 H LEU A 74 17.507 8.406 -11.300 1.00 0.14 H new ATOM 0 HA LEU A 74 18.289 10.808 -12.844 1.00 2.34 H new ATOM 0 HB2 LEU A 74 17.988 11.047 -10.458 1.00 52.23 H new ATOM 0 HB3 LEU A 74 19.123 9.746 -10.156 1.00 52.23 H new ATOM 0 HG LEU A 74 19.997 12.171 -11.709 1.00 30.44 H new ATOM 0 HD11 LEU A 74 20.705 13.243 -9.613 1.00 53.01 H new ATOM 0 HD12 LEU A 74 18.936 13.078 -9.716 1.00 53.01 H new ATOM 0 HD13 LEU A 74 19.874 11.971 -8.687 1.00 53.01 H new ATOM 0 HD21 LEU A 74 22.189 11.603 -10.749 1.00 50.24 H new ATOM 0 HD22 LEU A 74 21.454 10.225 -9.896 1.00 50.24 H new ATOM 0 HD23 LEU A 74 21.494 10.251 -11.675 1.00 50.24 H new ATOM 1142 N VAL A 75 20.544 10.085 -13.587 1.00 71.30 N ATOM 1143 CA VAL A 75 21.717 9.573 -14.275 1.00 72.41 C ATOM 1144 C VAL A 75 22.809 10.644 -14.278 1.00 41.05 C ATOM 1145 O VAL A 75 22.599 11.749 -14.777 1.00 73.53 O ATOM 1146 CB VAL A 75 21.336 9.103 -15.681 1.00 14.15 C ATOM 1147 CG1 VAL A 75 22.578 8.713 -16.484 1.00 11.20 C ATOM 1148 CG2 VAL A 75 20.336 7.946 -15.620 1.00 3.13 C ATOM 0 H VAL A 75 20.387 11.086 -13.700 1.00 71.30 H new ATOM 0 HA VAL A 75 22.116 8.703 -13.753 1.00 72.41 H new ATOM 0 HB VAL A 75 20.854 9.935 -16.194 1.00 14.15 H new ATOM 0 HG11 VAL A 75 22.279 8.383 -17.479 1.00 11.20 H new ATOM 0 HG12 VAL A 75 23.240 9.574 -16.571 1.00 11.20 H new ATOM 0 HG13 VAL A 75 23.101 7.903 -15.975 1.00 11.20 H new ATOM 0 HG21 VAL A 75 20.082 7.631 -16.632 1.00 3.13 H new ATOM 0 HG22 VAL A 75 20.780 7.109 -15.080 1.00 3.13 H new ATOM 0 HG23 VAL A 75 19.433 8.272 -15.104 1.00 3.13 H new ATOM 1158 N TYR A 76 23.952 10.280 -13.716 1.00 42.01 N ATOM 1159 CA TYR A 76 25.078 11.196 -13.648 1.00 51.30 C ATOM 1160 C TYR A 76 25.938 11.103 -14.910 1.00 21.21 C ATOM 1161 O TYR A 76 26.668 10.130 -15.098 1.00 15.34 O ATOM 1162 CB TYR A 76 25.910 10.753 -12.444 1.00 25.54 C ATOM 1163 CG TYR A 76 27.024 11.730 -12.062 1.00 54.44 C ATOM 1164 CD1 TYR A 76 26.752 12.792 -11.223 1.00 41.13 C ATOM 1165 CD2 TYR A 76 28.299 11.551 -12.558 1.00 3.05 C ATOM 1166 CE1 TYR A 76 27.800 13.712 -10.864 1.00 52.55 C ATOM 1167 CE2 TYR A 76 29.347 12.471 -12.199 1.00 10.43 C ATOM 1168 CZ TYR A 76 29.046 13.507 -11.370 1.00 35.31 C ATOM 1169 OH TYR A 76 30.035 14.376 -11.031 1.00 20.00 O ATOM 0 H TYR A 76 24.123 9.363 -13.303 1.00 42.01 H new ATOM 0 HA TYR A 76 24.730 12.225 -13.560 1.00 51.30 H new ATOM 0 HB2 TYR A 76 25.249 10.620 -11.588 1.00 25.54 H new ATOM 0 HB3 TYR A 76 26.352 9.780 -12.659 1.00 25.54 H new ATOM 0 HD1 TYR A 76 25.754 12.933 -10.836 1.00 41.13 H new ATOM 0 HD2 TYR A 76 28.511 10.721 -13.216 1.00 3.05 H new ATOM 0 HE1 TYR A 76 27.601 14.546 -10.208 1.00 52.55 H new ATOM 0 HE2 TYR A 76 30.350 12.342 -12.579 1.00 10.43 H new ATOM 0 HH TYR A 76 29.650 15.263 -10.869 1.00 20.00 H new ATOM 1179 N HIS A 77 25.824 12.127 -15.742 1.00 41.23 N ATOM 1180 CA HIS A 77 26.582 12.173 -16.981 1.00 64.10 C ATOM 1181 C HIS A 77 28.078 12.090 -16.670 1.00 42.15 C ATOM 1182 O HIS A 77 28.517 12.501 -15.597 1.00 51.44 O ATOM 1183 CB HIS A 77 26.214 13.413 -17.798 1.00 21.10 C ATOM 1184 CG HIS A 77 26.119 13.163 -19.284 1.00 42.33 C ATOM 1185 ND1 HIS A 77 25.035 13.090 -20.108 1.00 11.30 N flip ATOM 1186 CD2 HIS A 77 27.231 12.955 -20.082 1.00 73.52 C flip ATOM 1187 CE1 HIS A 77 25.461 12.851 -21.342 1.00 61.01 C flip ATOM 1188 NE2 HIS A 77 26.822 12.767 -21.328 1.00 52.14 N flip ATOM 0 H HIS A 77 25.218 12.932 -15.583 1.00 41.23 H new ATOM 0 HA HIS A 77 26.326 11.313 -17.600 1.00 64.10 H new ATOM 0 HB2 HIS A 77 25.258 13.799 -17.443 1.00 21.10 H new ATOM 0 HB3 HIS A 77 26.958 14.189 -17.617 1.00 21.10 H new ATOM 0 HD1 HIS A 77 24.062 13.200 -19.824 1.00 11.30 H new ATOM 0 HD2 HIS A 77 28.257 12.947 -19.746 1.00 73.52 H new ATOM 0 HE1 HIS A 77 24.833 12.741 -22.214 1.00 61.01 H new ATOM 1196 N LYS A 78 28.820 11.556 -17.629 1.00 62.41 N ATOM 1197 CA LYS A 78 30.258 11.414 -17.472 1.00 33.53 C ATOM 1198 C LYS A 78 30.969 12.356 -18.445 1.00 14.55 C ATOM 1199 O LYS A 78 31.942 13.013 -18.078 1.00 52.54 O ATOM 1200 CB LYS A 78 30.671 9.948 -17.623 1.00 0.23 C ATOM 1201 CG LYS A 78 30.682 9.531 -19.095 1.00 23.43 C ATOM 1202 CD LYS A 78 30.651 8.007 -19.233 1.00 0.23 C ATOM 1203 CE LYS A 78 32.006 7.396 -18.872 1.00 4.04 C ATOM 1204 NZ LYS A 78 31.931 6.704 -17.566 1.00 24.15 N ATOM 0 H LYS A 78 28.452 11.216 -18.518 1.00 62.41 H new ATOM 0 HA LYS A 78 30.562 11.705 -16.467 1.00 33.53 H new ATOM 0 HB2 LYS A 78 31.661 9.799 -17.192 1.00 0.23 H new ATOM 0 HB3 LYS A 78 29.982 9.313 -17.066 1.00 0.23 H new ATOM 0 HG2 LYS A 78 29.822 9.964 -19.606 1.00 23.43 H new ATOM 0 HG3 LYS A 78 31.574 9.926 -19.582 1.00 23.43 H new ATOM 0 HD2 LYS A 78 29.878 7.595 -18.584 1.00 0.23 H new ATOM 0 HD3 LYS A 78 30.387 7.736 -20.255 1.00 0.23 H new ATOM 0 HE2 LYS A 78 32.312 6.692 -19.646 1.00 4.04 H new ATOM 0 HE3 LYS A 78 32.765 8.177 -18.833 1.00 4.04 H new ATOM 0 HZ1 LYS A 78 32.556 5.873 -17.577 1.00 24.15 H new ATOM 0 HZ2 LYS A 78 32.232 7.353 -16.811 1.00 24.15 H new ATOM 0 HZ3 LYS A 78 30.952 6.399 -17.390 1.00 24.15 H new ATOM 1217 N HIS A 79 30.455 12.393 -19.665 1.00 53.11 N ATOM 1218 CA HIS A 79 31.028 13.245 -20.693 1.00 61.34 C ATOM 1219 C HIS A 79 30.697 14.708 -20.392 1.00 33.41 C ATOM 1220 O HIS A 79 31.277 15.615 -20.987 1.00 33.34 O ATOM 1221 CB HIS A 79 30.564 12.806 -22.083 1.00 73.25 C ATOM 1222 CG HIS A 79 30.491 11.308 -22.262 1.00 53.12 C ATOM 1223 ND1 HIS A 79 31.578 10.546 -22.652 1.00 21.32 N ATOM 1224 CD2 HIS A 79 29.451 10.441 -22.100 1.00 33.34 C ATOM 1225 CE1 HIS A 79 31.198 9.278 -22.718 1.00 50.35 C ATOM 1226 NE2 HIS A 79 29.879 9.215 -22.376 1.00 41.44 N ATOM 0 H HIS A 79 29.648 11.847 -19.965 1.00 53.11 H new ATOM 0 HA HIS A 79 32.114 13.147 -20.688 1.00 61.34 H new ATOM 0 HB2 HIS A 79 29.580 13.233 -22.278 1.00 73.25 H new ATOM 0 HB3 HIS A 79 31.244 13.218 -22.829 1.00 73.25 H new ATOM 0 HD1 HIS A 79 32.513 10.900 -22.854 1.00 21.32 H new ATOM 0 HD2 HIS A 79 28.449 10.707 -21.798 1.00 33.34 H new ATOM 0 HE1 HIS A 79 31.823 8.442 -22.994 1.00 50.35 H new ATOM 1234 N LEU A 80 29.765 14.891 -19.468 1.00 51.51 N ATOM 1235 CA LEU A 80 29.349 16.229 -19.080 1.00 62.32 C ATOM 1236 C LEU A 80 29.731 16.473 -17.619 1.00 43.20 C ATOM 1237 O LEU A 80 29.916 17.617 -17.205 1.00 64.50 O ATOM 1238 CB LEU A 80 27.860 16.432 -19.369 1.00 24.22 C ATOM 1239 CG LEU A 80 27.414 16.165 -20.808 1.00 12.52 C ATOM 1240 CD1 LEU A 80 25.923 16.462 -20.983 1.00 21.22 C ATOM 1241 CD2 LEU A 80 28.274 16.947 -21.803 1.00 2.25 C ATOM 0 H LEU A 80 29.286 14.136 -18.977 1.00 51.51 H new ATOM 0 HA LEU A 80 29.870 16.978 -19.676 1.00 62.32 H new ATOM 0 HB2 LEU A 80 27.289 15.781 -18.706 1.00 24.22 H new ATOM 0 HB3 LEU A 80 27.597 17.458 -19.112 1.00 24.22 H new ATOM 0 HG LEU A 80 27.559 15.106 -21.020 1.00 12.52 H new ATOM 0 HD11 LEU A 80 25.631 16.264 -22.014 1.00 21.22 H new ATOM 0 HD12 LEU A 80 25.344 15.825 -20.314 1.00 21.22 H new ATOM 0 HD13 LEU A 80 25.730 17.508 -20.746 1.00 21.22 H new ATOM 0 HD21 LEU A 80 27.936 16.739 -22.818 1.00 2.25 H new ATOM 0 HD22 LEU A 80 28.184 18.014 -21.602 1.00 2.25 H new ATOM 0 HD23 LEU A 80 29.316 16.645 -21.699 1.00 2.25 H new ATOM 1253 N LYS A 81 29.838 15.380 -16.878 1.00 1.22 N ATOM 1254 CA LYS A 81 30.195 15.461 -15.472 1.00 12.54 C ATOM 1255 C LYS A 81 29.061 16.140 -14.701 1.00 34.44 C ATOM 1256 O LYS A 81 29.307 16.880 -13.750 1.00 24.23 O ATOM 1257 CB LYS A 81 31.551 16.149 -15.302 1.00 10.12 C ATOM 1258 CG LYS A 81 32.698 15.171 -15.563 1.00 22.15 C ATOM 1259 CD LYS A 81 33.120 15.200 -17.033 1.00 3.31 C ATOM 1260 CE LYS A 81 34.003 16.415 -17.326 1.00 10.13 C ATOM 1261 NZ LYS A 81 33.171 17.586 -17.684 1.00 22.20 N ATOM 0 H LYS A 81 29.684 14.433 -17.225 1.00 1.22 H new ATOM 0 HA LYS A 81 30.315 14.463 -15.052 1.00 12.54 H new ATOM 0 HB2 LYS A 81 31.624 16.992 -15.989 1.00 10.12 H new ATOM 0 HB3 LYS A 81 31.634 16.552 -14.293 1.00 10.12 H new ATOM 0 HG2 LYS A 81 33.549 15.426 -14.932 1.00 22.15 H new ATOM 0 HG3 LYS A 81 32.390 14.162 -15.289 1.00 22.15 H new ATOM 0 HD2 LYS A 81 33.660 14.286 -17.278 1.00 3.31 H new ATOM 0 HD3 LYS A 81 32.235 15.227 -17.669 1.00 3.31 H new ATOM 0 HE2 LYS A 81 34.613 16.648 -16.453 1.00 10.13 H new ATOM 0 HE3 LYS A 81 34.689 16.186 -18.142 1.00 10.13 H new ATOM 0 HZ1 LYS A 81 33.664 18.155 -18.401 1.00 22.20 H new ATOM 0 HZ2 LYS A 81 32.260 17.261 -18.066 1.00 22.20 H new ATOM 0 HZ3 LYS A 81 33.004 18.165 -16.837 1.00 22.20 H new ATOM 1274 N ARG A 82 27.841 15.863 -15.139 1.00 65.43 N ATOM 1275 CA ARG A 82 26.668 16.437 -14.502 1.00 64.32 C ATOM 1276 C ARG A 82 25.646 15.343 -14.188 1.00 22.53 C ATOM 1277 O ARG A 82 25.955 14.155 -14.277 1.00 3.34 O ATOM 1278 CB ARG A 82 26.016 17.492 -15.398 1.00 4.03 C ATOM 1279 CG ARG A 82 26.912 17.826 -16.593 1.00 34.03 C ATOM 1280 CD ARG A 82 26.163 18.682 -17.616 1.00 41.41 C ATOM 1281 NE ARG A 82 27.048 19.755 -18.122 1.00 41.22 N ATOM 1282 CZ ARG A 82 26.911 20.343 -19.330 1.00 32.12 C ATOM 1283 NH1 ARG A 82 25.921 19.966 -20.167 1.00 21.41 N ATOM 1284 NH2 ARG A 82 27.759 21.292 -19.680 1.00 30.20 N ATOM 0 H ARG A 82 27.640 15.248 -15.928 1.00 65.43 H new ATOM 0 HA ARG A 82 26.992 16.913 -13.576 1.00 64.32 H new ATOM 0 HB2 ARG A 82 25.052 17.128 -15.752 1.00 4.03 H new ATOM 0 HB3 ARG A 82 25.822 18.396 -14.820 1.00 4.03 H new ATOM 0 HG2 ARG A 82 27.800 18.357 -16.249 1.00 34.03 H new ATOM 0 HG3 ARG A 82 27.254 16.905 -17.065 1.00 34.03 H new ATOM 0 HD2 ARG A 82 25.822 18.060 -18.443 1.00 41.41 H new ATOM 0 HD3 ARG A 82 25.275 19.117 -17.158 1.00 41.41 H new ATOM 0 HE ARG A 82 27.809 20.070 -17.521 1.00 41.22 H new ATOM 0 HH11 ARG A 82 25.270 19.232 -19.889 1.00 21.41 H new ATOM 0 HH12 ARG A 82 25.824 20.415 -21.078 1.00 21.41 H new ATOM 0 HH21 ARG A 82 28.504 21.571 -19.042 1.00 30.20 H new ATOM 0 HH22 ARG A 82 27.669 21.746 -20.589 1.00 30.20 H new ATOM 1297 N VAL A 83 24.449 15.781 -13.827 1.00 4.43 N ATOM 1298 CA VAL A 83 23.380 14.854 -13.499 1.00 11.15 C ATOM 1299 C VAL A 83 22.234 15.030 -14.497 1.00 12.43 C ATOM 1300 O VAL A 83 22.155 16.048 -15.183 1.00 53.01 O ATOM 1301 CB VAL A 83 22.943 15.052 -12.046 1.00 0.14 C ATOM 1302 CG1 VAL A 83 21.836 14.067 -11.667 1.00 32.41 C ATOM 1303 CG2 VAL A 83 24.134 14.931 -11.093 1.00 65.25 C ATOM 0 H VAL A 83 24.196 16.766 -13.754 1.00 4.43 H new ATOM 0 HA VAL A 83 23.728 13.825 -13.582 1.00 11.15 H new ATOM 0 HB VAL A 83 22.541 16.061 -11.953 1.00 0.14 H new ATOM 0 HG11 VAL A 83 21.544 14.229 -10.629 1.00 32.41 H new ATOM 0 HG12 VAL A 83 20.973 14.222 -12.315 1.00 32.41 H new ATOM 0 HG13 VAL A 83 22.200 13.047 -11.786 1.00 32.41 H new ATOM 0 HG21 VAL A 83 23.795 15.076 -10.067 1.00 65.25 H new ATOM 0 HG22 VAL A 83 24.580 13.941 -11.192 1.00 65.25 H new ATOM 0 HG23 VAL A 83 24.877 15.690 -11.341 1.00 65.25 H new ATOM 1313 N PHE A 84 21.374 14.023 -14.546 1.00 3.32 N ATOM 1314 CA PHE A 84 20.236 14.054 -15.449 1.00 1.24 C ATOM 1315 C PHE A 84 19.015 13.385 -14.815 1.00 10.15 C ATOM 1316 O PHE A 84 19.155 12.521 -13.950 1.00 51.04 O ATOM 1317 CB PHE A 84 20.638 13.273 -16.701 1.00 53.24 C ATOM 1318 CG PHE A 84 21.349 14.118 -17.760 1.00 53.43 C ATOM 1319 CD1 PHE A 84 22.687 14.342 -17.666 1.00 71.31 C ATOM 1320 CD2 PHE A 84 20.642 14.646 -18.796 1.00 4.43 C ATOM 1321 CE1 PHE A 84 23.347 15.126 -18.649 1.00 32.01 C ATOM 1322 CE2 PHE A 84 21.302 15.431 -19.778 1.00 62.34 C ATOM 1323 CZ PHE A 84 22.640 15.654 -19.684 1.00 65.14 C ATOM 0 H PHE A 84 21.443 13.181 -13.975 1.00 3.32 H new ATOM 0 HA PHE A 84 19.972 15.086 -15.680 1.00 1.24 H new ATOM 0 HB2 PHE A 84 21.291 12.450 -16.409 1.00 53.24 H new ATOM 0 HB3 PHE A 84 19.745 12.831 -17.143 1.00 53.24 H new ATOM 0 HD1 PHE A 84 23.248 13.923 -16.843 1.00 71.31 H new ATOM 0 HD2 PHE A 84 19.579 14.468 -18.871 1.00 4.43 H new ATOM 0 HE1 PHE A 84 24.410 15.303 -18.575 1.00 32.01 H new ATOM 0 HE2 PHE A 84 20.741 15.851 -20.600 1.00 62.34 H new ATOM 0 HZ PHE A 84 23.142 16.251 -20.432 1.00 65.14 H new ATOM 1333 N LEU A 85 17.845 13.810 -15.268 1.00 70.15 N ATOM 1334 CA LEU A 85 16.600 13.263 -14.756 1.00 61.44 C ATOM 1335 C LEU A 85 15.746 12.768 -15.926 1.00 23.04 C ATOM 1336 O LEU A 85 15.197 13.569 -16.681 1.00 4.14 O ATOM 1337 CB LEU A 85 15.891 14.286 -13.867 1.00 20.44 C ATOM 1338 CG LEU A 85 14.536 13.856 -13.299 1.00 44.44 C ATOM 1339 CD1 LEU A 85 14.453 12.334 -13.172 1.00 54.13 C ATOM 1340 CD2 LEU A 85 14.251 14.559 -11.971 1.00 12.13 C ATOM 0 H LEU A 85 17.733 14.527 -15.984 1.00 70.15 H new ATOM 0 HA LEU A 85 16.796 12.402 -14.117 1.00 61.44 H new ATOM 0 HB2 LEU A 85 16.550 14.533 -13.035 1.00 20.44 H new ATOM 0 HB3 LEU A 85 15.748 15.201 -14.442 1.00 20.44 H new ATOM 0 HG LEU A 85 13.759 14.163 -13.999 1.00 44.44 H new ATOM 0 HD11 LEU A 85 13.481 12.055 -12.766 1.00 54.13 H new ATOM 0 HD12 LEU A 85 14.580 11.879 -14.155 1.00 54.13 H new ATOM 0 HD13 LEU A 85 15.239 11.981 -12.505 1.00 54.13 H new ATOM 0 HD21 LEU A 85 13.283 14.236 -11.589 1.00 12.13 H new ATOM 0 HD22 LEU A 85 15.028 14.305 -11.251 1.00 12.13 H new ATOM 0 HD23 LEU A 85 14.239 15.638 -12.126 1.00 12.13 H new ATOM 1352 N ILE A 86 15.661 11.451 -16.039 1.00 20.32 N ATOM 1353 CA ILE A 86 14.883 10.840 -17.103 1.00 64.33 C ATOM 1354 C ILE A 86 13.456 10.595 -16.610 1.00 70.51 C ATOM 1355 O ILE A 86 13.223 9.712 -15.785 1.00 44.04 O ATOM 1356 CB ILE A 86 15.580 9.580 -17.621 1.00 23.34 C ATOM 1357 CG1 ILE A 86 17.073 9.601 -17.284 1.00 14.03 C ATOM 1358 CG2 ILE A 86 15.333 9.393 -19.119 1.00 25.40 C ATOM 1359 CD1 ILE A 86 17.861 8.693 -18.229 1.00 62.23 C ATOM 0 H ILE A 86 16.118 10.790 -15.411 1.00 20.32 H new ATOM 0 HA ILE A 86 14.814 11.512 -17.958 1.00 64.33 H new ATOM 0 HB ILE A 86 15.148 8.718 -17.114 1.00 23.34 H new ATOM 0 HG12 ILE A 86 17.451 10.621 -17.355 1.00 14.03 H new ATOM 0 HG13 ILE A 86 17.222 9.277 -16.254 1.00 14.03 H new ATOM 0 HG21 ILE A 86 15.839 8.491 -19.461 1.00 25.40 H new ATOM 0 HG22 ILE A 86 14.263 9.300 -19.302 1.00 25.40 H new ATOM 0 HG23 ILE A 86 15.721 10.255 -19.662 1.00 25.40 H new ATOM 0 HD11 ILE A 86 18.919 8.726 -17.968 1.00 62.23 H new ATOM 0 HD12 ILE A 86 17.497 7.670 -18.138 1.00 62.23 H new ATOM 0 HD13 ILE A 86 17.730 9.035 -19.256 1.00 62.23 H new ATOM 1371 N ASP A 87 12.537 11.391 -17.136 1.00 2.21 N ATOM 1372 CA ASP A 87 11.139 11.272 -16.759 1.00 71.24 C ATOM 1373 C ASP A 87 10.578 9.958 -17.308 1.00 11.31 C ATOM 1374 O ASP A 87 9.808 9.961 -18.267 1.00 62.54 O ATOM 1375 CB ASP A 87 10.312 12.419 -17.342 1.00 54.22 C ATOM 1376 CG ASP A 87 10.973 13.797 -17.266 1.00 60.25 C ATOM 1377 OD1 ASP A 87 10.356 14.820 -17.597 1.00 43.42 O ATOM 1378 OD2 ASP A 87 12.191 13.794 -16.841 1.00 12.11 O ATOM 0 H ASP A 87 12.733 12.121 -17.821 1.00 2.21 H new ATOM 0 HA ASP A 87 11.079 11.301 -15.671 1.00 71.24 H new ATOM 0 HB2 ASP A 87 10.093 12.195 -18.386 1.00 54.22 H new ATOM 0 HB3 ASP A 87 9.357 12.461 -16.818 1.00 54.22 H new ATOM 1384 N LEU A 88 10.985 8.868 -16.675 1.00 64.23 N ATOM 1385 CA LEU A 88 10.533 7.550 -17.088 1.00 1.10 C ATOM 1386 C LEU A 88 9.009 7.558 -17.223 1.00 21.22 C ATOM 1387 O LEU A 88 8.298 7.196 -16.287 1.00 33.01 O ATOM 1388 CB LEU A 88 11.060 6.479 -16.131 1.00 64.34 C ATOM 1389 CG LEU A 88 12.570 6.487 -15.881 1.00 12.41 C ATOM 1390 CD1 LEU A 88 13.012 5.218 -15.150 1.00 74.13 C ATOM 1391 CD2 LEU A 88 13.341 6.696 -17.186 1.00 31.51 C ATOM 0 H LEU A 88 11.623 8.870 -15.879 1.00 64.23 H new ATOM 0 HA LEU A 88 10.939 7.297 -18.067 1.00 1.10 H new ATOM 0 HB2 LEU A 88 10.553 6.594 -15.173 1.00 64.34 H new ATOM 0 HB3 LEU A 88 10.782 5.501 -16.523 1.00 64.34 H new ATOM 0 HG LEU A 88 12.804 7.330 -15.231 1.00 12.41 H new ATOM 0 HD11 LEU A 88 14.089 5.250 -14.985 1.00 74.13 H new ATOM 0 HD12 LEU A 88 12.500 5.154 -14.190 1.00 74.13 H new ATOM 0 HD13 LEU A 88 12.763 4.345 -15.753 1.00 74.13 H new ATOM 0 HD21 LEU A 88 14.411 6.698 -16.980 1.00 31.51 H new ATOM 0 HD22 LEU A 88 13.106 5.889 -17.880 1.00 31.51 H new ATOM 0 HD23 LEU A 88 13.055 7.650 -17.629 1.00 31.51 H new ATOM 1403 N ASN A 89 8.553 7.974 -18.395 1.00 12.21 N ATOM 1404 CA ASN A 89 7.126 8.034 -18.664 1.00 62.13 C ATOM 1405 C ASN A 89 6.387 8.441 -17.388 1.00 41.21 C ATOM 1406 O ASN A 89 5.413 7.799 -16.999 1.00 22.34 O ATOM 1407 CB ASN A 89 6.592 6.670 -19.105 1.00 75.04 C ATOM 1408 CG ASN A 89 7.636 5.911 -19.926 1.00 22.32 C ATOM 1409 OD1 ASN A 89 8.565 5.305 -19.191 1.00 20.41 O flip ATOM 1410 ND2 ASN A 89 7.601 5.877 -21.145 1.00 42.44 N flip ATOM 0 H ASN A 89 9.146 8.273 -19.169 1.00 12.21 H new ATOM 0 HA ASN A 89 6.963 8.760 -19.460 1.00 62.13 H new ATOM 0 HB2 ASN A 89 6.316 6.083 -18.229 1.00 75.04 H new ATOM 0 HB3 ASN A 89 5.686 6.804 -19.697 1.00 75.04 H new ATOM 0 HD21 ASN A 89 6.859 6.365 -21.648 1.00 42.44 H new ATOM 0 HD22 ASN A 89 8.313 5.361 -21.661 1.00 42.44 H new ATOM 1417 N SER A 90 6.879 9.506 -16.772 1.00 55.42 N ATOM 1418 CA SER A 90 6.277 10.007 -15.548 1.00 31.00 C ATOM 1419 C SER A 90 4.778 10.233 -15.756 1.00 30.21 C ATOM 1420 O SER A 90 4.369 10.837 -16.746 1.00 41.31 O ATOM 1421 CB SER A 90 6.951 11.303 -15.093 1.00 72.10 C ATOM 1422 OG SER A 90 6.066 12.130 -14.342 1.00 31.31 O ATOM 0 H SER A 90 7.688 10.036 -17.098 1.00 55.42 H new ATOM 0 HA SER A 90 6.420 9.261 -14.766 1.00 31.00 H new ATOM 0 HB2 SER A 90 7.825 11.064 -14.487 1.00 72.10 H new ATOM 0 HB3 SER A 90 7.308 11.852 -15.965 1.00 72.10 H new ATOM 0 HG SER A 90 6.585 12.701 -13.738 1.00 31.31 H new ATOM 1428 N THR A 91 4.000 9.735 -14.806 1.00 53.12 N ATOM 1429 CA THR A 91 2.555 9.875 -14.873 1.00 30.13 C ATOM 1430 C THR A 91 2.178 11.229 -15.478 1.00 35.45 C ATOM 1431 O THR A 91 1.271 11.312 -16.304 1.00 72.15 O ATOM 1432 CB THR A 91 1.994 9.660 -13.466 1.00 10.45 C ATOM 1433 OG1 THR A 91 0.818 10.465 -13.434 1.00 43.11 O ATOM 1434 CG2 THR A 91 2.888 10.264 -12.380 1.00 52.24 C ATOM 0 H THR A 91 4.343 9.234 -13.986 1.00 53.12 H new ATOM 0 HA THR A 91 2.115 9.127 -15.532 1.00 30.13 H new ATOM 0 HB THR A 91 1.872 8.592 -13.284 1.00 10.45 H new ATOM 0 HG1 THR A 91 0.390 10.384 -12.556 1.00 43.11 H new ATOM 0 HG21 THR A 91 2.444 10.083 -11.401 1.00 52.24 H new ATOM 0 HG22 THR A 91 3.874 9.802 -12.422 1.00 52.24 H new ATOM 0 HG23 THR A 91 2.983 11.338 -12.543 1.00 52.24 H new ATOM 1442 N HIS A 92 2.892 12.255 -15.041 1.00 43.45 N ATOM 1443 CA HIS A 92 2.644 13.601 -15.530 1.00 13.35 C ATOM 1444 C HIS A 92 3.869 14.104 -16.295 1.00 63.02 C ATOM 1445 O HIS A 92 3.752 14.559 -17.432 1.00 61.31 O ATOM 1446 CB HIS A 92 2.240 14.529 -14.382 1.00 53.22 C ATOM 1447 CG HIS A 92 1.555 13.825 -13.235 1.00 51.20 C ATOM 1448 ND1 HIS A 92 0.178 13.727 -13.130 1.00 45.01 N ATOM 1449 CD2 HIS A 92 2.071 13.186 -12.146 1.00 72.23 C ATOM 1450 CE1 HIS A 92 -0.110 13.058 -12.024 1.00 21.43 C ATOM 1451 NE2 HIS A 92 1.064 12.724 -11.415 1.00 61.51 N ATOM 0 H HIS A 92 3.642 12.182 -14.354 1.00 43.45 H new ATOM 0 HA HIS A 92 1.805 13.590 -16.225 1.00 13.35 H new ATOM 0 HB2 HIS A 92 3.130 15.033 -14.006 1.00 53.22 H new ATOM 0 HB3 HIS A 92 1.576 15.301 -14.769 1.00 53.22 H new ATOM 0 HD1 HIS A 92 -0.499 14.106 -13.792 1.00 45.01 H new ATOM 0 HD2 HIS A 92 3.121 13.075 -11.917 1.00 72.23 H new ATOM 0 HE1 HIS A 92 -1.101 12.819 -11.667 1.00 21.43 H new ATOM 1459 N GLY A 93 5.017 14.005 -15.641 1.00 42.12 N ATOM 1460 CA GLY A 93 6.263 14.444 -16.246 1.00 44.10 C ATOM 1461 C GLY A 93 7.193 15.061 -15.199 1.00 43.35 C ATOM 1462 O GLY A 93 6.819 15.201 -14.036 1.00 72.42 O ATOM 0 H GLY A 93 5.110 13.627 -14.698 1.00 42.12 H new ATOM 0 HA2 GLY A 93 6.757 13.598 -16.724 1.00 44.10 H new ATOM 0 HA3 GLY A 93 6.054 15.174 -17.028 1.00 44.10 H new ATOM 1466 N THR A 94 8.388 15.415 -15.651 1.00 32.23 N ATOM 1467 CA THR A 94 9.374 16.014 -14.768 1.00 21.12 C ATOM 1468 C THR A 94 9.756 17.410 -15.264 1.00 14.12 C ATOM 1469 O THR A 94 9.620 17.710 -16.449 1.00 14.42 O ATOM 1470 CB THR A 94 10.564 15.058 -14.670 1.00 63.53 C ATOM 1471 OG1 THR A 94 9.973 13.762 -14.712 1.00 33.24 O ATOM 1472 CG2 THR A 94 11.248 15.111 -13.303 1.00 4.42 C ATOM 0 H THR A 94 8.695 15.298 -16.617 1.00 32.23 H new ATOM 0 HA THR A 94 8.971 16.158 -13.766 1.00 21.12 H new ATOM 0 HB THR A 94 11.288 15.301 -15.447 1.00 63.53 H new ATOM 0 HG1 THR A 94 10.650 13.087 -14.497 1.00 33.24 H new ATOM 0 HG21 THR A 94 12.085 14.413 -13.288 1.00 4.42 H new ATOM 0 HG22 THR A 94 11.614 16.121 -13.118 1.00 4.42 H new ATOM 0 HG23 THR A 94 10.533 14.836 -12.527 1.00 4.42 H new ATOM 1480 N PHE A 95 10.226 18.226 -14.332 1.00 14.21 N ATOM 1481 CA PHE A 95 10.628 19.584 -14.659 1.00 73.54 C ATOM 1482 C PHE A 95 11.927 19.958 -13.944 1.00 43.10 C ATOM 1483 O PHE A 95 12.306 19.321 -12.962 1.00 74.13 O ATOM 1484 CB PHE A 95 9.509 20.510 -14.178 1.00 62.21 C ATOM 1485 CG PHE A 95 8.402 20.737 -15.210 1.00 22.14 C ATOM 1486 CD1 PHE A 95 7.586 19.710 -15.568 1.00 72.01 C ATOM 1487 CD2 PHE A 95 8.235 21.966 -15.768 1.00 34.32 C ATOM 1488 CE1 PHE A 95 6.558 19.921 -16.525 1.00 63.34 C ATOM 1489 CE2 PHE A 95 7.207 22.176 -16.725 1.00 42.40 C ATOM 1490 CZ PHE A 95 6.391 21.150 -17.084 1.00 33.44 C ATOM 0 H PHE A 95 10.338 17.973 -13.350 1.00 14.21 H new ATOM 0 HA PHE A 95 10.797 19.674 -15.732 1.00 73.54 H new ATOM 0 HB2 PHE A 95 9.068 20.091 -13.274 1.00 62.21 H new ATOM 0 HB3 PHE A 95 9.940 21.473 -13.905 1.00 62.21 H new ATOM 0 HD1 PHE A 95 7.720 18.734 -15.125 1.00 72.01 H new ATOM 0 HD2 PHE A 95 8.884 22.781 -15.484 1.00 34.32 H new ATOM 0 HE1 PHE A 95 5.909 19.106 -16.809 1.00 63.34 H new ATOM 0 HE2 PHE A 95 7.073 23.152 -17.168 1.00 42.40 H new ATOM 0 HZ PHE A 95 5.610 21.310 -17.813 1.00 33.44 H new ATOM 1500 N LEU A 96 12.575 20.990 -14.464 1.00 0.42 N ATOM 1501 CA LEU A 96 13.824 21.458 -13.887 1.00 23.50 C ATOM 1502 C LEU A 96 13.645 22.893 -13.388 1.00 23.44 C ATOM 1503 O LEU A 96 14.386 23.789 -13.787 1.00 5.53 O ATOM 1504 CB LEU A 96 14.971 21.293 -14.887 1.00 33.33 C ATOM 1505 CG LEU A 96 16.373 21.599 -14.356 1.00 54.31 C ATOM 1506 CD1 LEU A 96 16.525 21.133 -12.907 1.00 35.30 C ATOM 1507 CD2 LEU A 96 17.447 21.000 -15.267 1.00 14.54 C ATOM 0 H LEU A 96 12.258 21.515 -15.279 1.00 0.42 H new ATOM 0 HA LEU A 96 14.095 20.852 -13.023 1.00 23.50 H new ATOM 0 HB2 LEU A 96 14.960 20.268 -15.257 1.00 33.33 H new ATOM 0 HB3 LEU A 96 14.778 21.942 -15.741 1.00 33.33 H new ATOM 0 HG LEU A 96 16.512 22.680 -14.362 1.00 54.31 H new ATOM 0 HD11 LEU A 96 17.531 21.363 -12.555 1.00 35.30 H new ATOM 0 HD12 LEU A 96 15.795 21.646 -12.281 1.00 35.30 H new ATOM 0 HD13 LEU A 96 16.358 20.057 -12.851 1.00 35.30 H new ATOM 0 HD21 LEU A 96 18.434 21.232 -14.867 1.00 14.54 H new ATOM 0 HD22 LEU A 96 17.320 19.918 -15.316 1.00 14.54 H new ATOM 0 HD23 LEU A 96 17.352 21.422 -16.267 1.00 14.54 H new ATOM 1519 N GLY A 97 12.657 23.065 -12.522 1.00 3.11 N ATOM 1520 CA GLY A 97 12.372 24.376 -11.964 1.00 35.12 C ATOM 1521 C GLY A 97 11.287 25.092 -12.772 1.00 64.42 C ATOM 1522 O GLY A 97 10.188 25.325 -12.273 1.00 11.15 O ATOM 0 H GLY A 97 12.044 22.319 -12.193 1.00 3.11 H new ATOM 0 HA2 GLY A 97 12.050 24.272 -10.928 1.00 35.12 H new ATOM 0 HA3 GLY A 97 13.281 24.977 -11.956 1.00 35.12 H new ATOM 1526 N HIS A 98 11.635 25.420 -14.008 1.00 21.32 N ATOM 1527 CA HIS A 98 10.705 26.104 -14.890 1.00 44.02 C ATOM 1528 C HIS A 98 10.739 25.454 -16.275 1.00 3.20 C ATOM 1529 O HIS A 98 10.174 25.987 -17.229 1.00 34.43 O ATOM 1530 CB HIS A 98 11.001 27.605 -14.932 1.00 74.41 C ATOM 1531 CG HIS A 98 11.893 28.023 -16.076 1.00 53.33 C ATOM 1532 ND1 HIS A 98 11.621 28.192 -17.402 1.00 73.43 N flip ATOM 1533 CD2 HIS A 98 13.235 28.319 -15.911 1.00 64.14 C flip ATOM 1534 CE1 HIS A 98 12.737 28.571 -18.014 1.00 62.32 C flip ATOM 1535 NE2 HIS A 98 13.738 28.650 -17.091 1.00 13.11 N flip ATOM 0 H HIS A 98 12.548 25.225 -14.419 1.00 21.32 H new ATOM 0 HA HIS A 98 9.691 26.003 -14.504 1.00 44.02 H new ATOM 0 HB2 HIS A 98 10.059 28.149 -15.002 1.00 74.41 H new ATOM 0 HB3 HIS A 98 11.470 27.899 -13.993 1.00 74.41 H new ATOM 0 HD1 HIS A 98 10.714 28.051 -17.848 1.00 73.43 H new ATOM 0 HD2 HIS A 98 13.779 28.286 -14.979 1.00 64.14 H new ATOM 0 HE1 HIS A 98 12.836 28.782 -19.069 1.00 62.32 H new ATOM 1543 N ILE A 99 11.408 24.313 -16.341 1.00 64.43 N ATOM 1544 CA ILE A 99 11.524 23.584 -17.593 1.00 54.34 C ATOM 1545 C ILE A 99 10.884 22.203 -17.436 1.00 2.32 C ATOM 1546 O ILE A 99 10.703 21.723 -16.318 1.00 11.10 O ATOM 1547 CB ILE A 99 12.982 23.538 -18.054 1.00 30.11 C ATOM 1548 CG1 ILE A 99 13.664 24.893 -17.853 1.00 73.12 C ATOM 1549 CG2 ILE A 99 13.085 23.053 -19.502 1.00 15.44 C ATOM 1550 CD1 ILE A 99 15.170 24.791 -18.101 1.00 21.32 C ATOM 0 H ILE A 99 11.876 23.875 -15.548 1.00 64.43 H new ATOM 0 HA ILE A 99 10.980 24.099 -18.385 1.00 54.34 H new ATOM 0 HB ILE A 99 13.513 22.815 -17.434 1.00 30.11 H new ATOM 0 HG12 ILE A 99 13.229 25.627 -18.531 1.00 73.12 H new ATOM 0 HG13 ILE A 99 13.482 25.249 -16.839 1.00 73.12 H new ATOM 0 HG21 ILE A 99 14.132 23.030 -19.804 1.00 15.44 H new ATOM 0 HG22 ILE A 99 12.662 22.052 -19.581 1.00 15.44 H new ATOM 0 HG23 ILE A 99 12.534 23.732 -20.153 1.00 15.44 H new ATOM 0 HD11 ILE A 99 15.630 25.768 -17.951 1.00 21.32 H new ATOM 0 HD12 ILE A 99 15.606 24.074 -17.405 1.00 21.32 H new ATOM 0 HD13 ILE A 99 15.349 24.458 -19.124 1.00 21.32 H new ATOM 1562 N ARG A 100 10.560 21.603 -18.572 1.00 1.42 N ATOM 1563 CA ARG A 100 9.945 20.287 -18.574 1.00 13.10 C ATOM 1564 C ARG A 100 10.793 19.306 -19.385 1.00 63.20 C ATOM 1565 O ARG A 100 11.430 19.692 -20.364 1.00 52.22 O ATOM 1566 CB ARG A 100 8.534 20.340 -19.164 1.00 62.42 C ATOM 1567 CG ARG A 100 8.579 20.337 -20.694 1.00 23.14 C ATOM 1568 CD ARG A 100 8.420 18.918 -21.244 1.00 44.33 C ATOM 1569 NE ARG A 100 7.175 18.311 -20.726 1.00 33.55 N ATOM 1570 CZ ARG A 100 5.971 18.420 -21.328 1.00 3.15 C ATOM 1571 NH1 ARG A 100 5.841 19.117 -22.477 1.00 30.43 N ATOM 1572 NH2 ARG A 100 4.924 17.836 -20.776 1.00 0.24 N ATOM 0 H ARG A 100 10.712 22.004 -19.497 1.00 1.42 H new ATOM 0 HA ARG A 100 9.882 19.949 -17.540 1.00 13.10 H new ATOM 0 HB2 ARG A 100 7.956 19.485 -18.812 1.00 62.42 H new ATOM 0 HB3 ARG A 100 8.023 21.237 -18.813 1.00 62.42 H new ATOM 0 HG2 ARG A 100 7.786 20.974 -21.086 1.00 23.14 H new ATOM 0 HG3 ARG A 100 9.525 20.759 -21.034 1.00 23.14 H new ATOM 0 HD2 ARG A 100 8.397 18.942 -22.333 1.00 44.33 H new ATOM 0 HD3 ARG A 100 9.278 18.310 -20.957 1.00 44.33 H new ATOM 0 HE ARG A 100 7.229 17.776 -19.859 1.00 33.55 H new ATOM 0 HH11 ARG A 100 6.655 19.566 -22.896 1.00 30.43 H new ATOM 0 HH12 ARG A 100 4.928 19.195 -22.926 1.00 30.43 H new ATOM 0 HH21 ARG A 100 5.031 17.312 -19.907 1.00 0.24 H new ATOM 0 HH22 ARG A 100 4.008 17.909 -21.218 1.00 0.24 H new ATOM 1585 N LEU A 101 10.775 18.055 -18.947 1.00 42.45 N ATOM 1586 CA LEU A 101 11.535 17.016 -19.621 1.00 21.23 C ATOM 1587 C LEU A 101 10.569 16.035 -20.289 1.00 0.51 C ATOM 1588 O LEU A 101 9.406 15.941 -19.899 1.00 4.02 O ATOM 1589 CB LEU A 101 12.511 16.351 -18.648 1.00 63.22 C ATOM 1590 CG LEU A 101 12.563 16.944 -17.239 1.00 10.41 C ATOM 1591 CD1 LEU A 101 13.564 16.189 -16.362 1.00 74.12 C ATOM 1592 CD2 LEU A 101 12.861 18.444 -17.286 1.00 53.44 C ATOM 0 H LEU A 101 10.246 17.738 -18.134 1.00 42.45 H new ATOM 0 HA LEU A 101 12.150 17.446 -20.411 1.00 21.23 H new ATOM 0 HB2 LEU A 101 12.250 15.296 -18.567 1.00 63.22 H new ATOM 0 HB3 LEU A 101 13.511 16.400 -19.078 1.00 63.22 H new ATOM 0 HG LEU A 101 11.580 16.824 -16.782 1.00 10.41 H new ATOM 0 HD11 LEU A 101 13.581 16.631 -15.366 1.00 74.12 H new ATOM 0 HD12 LEU A 101 13.267 15.143 -16.289 1.00 74.12 H new ATOM 0 HD13 LEU A 101 14.558 16.255 -16.805 1.00 74.12 H new ATOM 0 HD21 LEU A 101 12.892 18.841 -16.271 1.00 53.44 H new ATOM 0 HD22 LEU A 101 13.824 18.609 -17.770 1.00 53.44 H new ATOM 0 HD23 LEU A 101 12.079 18.953 -17.850 1.00 53.44 H new ATOM 1604 N GLU A 102 11.086 15.331 -21.284 1.00 62.44 N ATOM 1605 CA GLU A 102 10.284 14.361 -22.011 1.00 31.25 C ATOM 1606 C GLU A 102 10.234 13.035 -21.248 1.00 4.40 C ATOM 1607 O GLU A 102 11.137 12.728 -20.471 1.00 11.23 O ATOM 1608 CB GLU A 102 10.820 14.158 -23.429 1.00 23.41 C ATOM 1609 CG GLU A 102 10.925 15.491 -24.172 1.00 15.00 C ATOM 1610 CD GLU A 102 9.917 15.558 -25.322 1.00 1.35 C ATOM 1611 OE1 GLU A 102 8.884 14.874 -25.281 1.00 72.12 O ATOM 1612 OE2 GLU A 102 10.238 16.358 -26.282 1.00 31.04 O ATOM 0 H GLU A 102 12.051 15.412 -21.605 1.00 62.44 H new ATOM 0 HA GLU A 102 9.269 14.748 -22.095 1.00 31.25 H new ATOM 0 HB2 GLU A 102 11.800 13.683 -23.386 1.00 23.41 H new ATOM 0 HB3 GLU A 102 10.162 13.483 -23.977 1.00 23.41 H new ATOM 0 HG2 GLU A 102 10.747 16.313 -23.479 1.00 15.00 H new ATOM 0 HG3 GLU A 102 11.935 15.616 -24.561 1.00 15.00 H new ATOM 1620 N PRO A 103 9.143 12.266 -21.504 1.00 32.45 N ATOM 1621 CA PRO A 103 8.964 10.980 -20.850 1.00 52.21 C ATOM 1622 C PRO A 103 9.892 9.924 -21.453 1.00 44.43 C ATOM 1623 O PRO A 103 9.434 8.880 -21.914 1.00 43.13 O ATOM 1624 CB PRO A 103 7.491 10.649 -21.030 1.00 64.13 C ATOM 1625 CG PRO A 103 7.003 11.527 -22.171 1.00 10.33 C ATOM 1626 CD PRO A 103 8.054 12.597 -22.418 1.00 11.21 C ATOM 0 HA PRO A 103 9.227 11.006 -19.792 1.00 52.21 H new ATOM 0 HB2 PRO A 103 7.354 9.593 -21.263 1.00 64.13 H new ATOM 0 HB3 PRO A 103 6.931 10.849 -20.116 1.00 64.13 H new ATOM 0 HG2 PRO A 103 6.846 10.932 -23.070 1.00 10.33 H new ATOM 0 HG3 PRO A 103 6.046 11.983 -21.919 1.00 10.33 H new ATOM 0 HD2 PRO A 103 8.391 12.589 -23.455 1.00 11.21 H new ATOM 0 HD3 PRO A 103 7.659 13.593 -22.219 1.00 11.21 H new ATOM 1634 N HIS A 104 11.181 10.233 -21.430 1.00 53.03 N ATOM 1635 CA HIS A 104 12.178 9.324 -21.969 1.00 72.30 C ATOM 1636 C HIS A 104 13.510 10.059 -22.128 1.00 61.03 C ATOM 1637 O HIS A 104 14.558 9.543 -21.743 1.00 61.24 O ATOM 1638 CB HIS A 104 11.689 8.693 -23.274 1.00 70.13 C ATOM 1639 CG HIS A 104 11.139 7.296 -23.113 1.00 31.21 C ATOM 1640 ND1 HIS A 104 11.862 6.268 -22.533 1.00 33.11 N ATOM 1641 CD2 HIS A 104 9.930 6.768 -23.460 1.00 40.24 C ATOM 1642 CE1 HIS A 104 11.112 5.175 -22.537 1.00 43.44 C ATOM 1643 NE2 HIS A 104 9.916 5.487 -23.113 1.00 53.31 N ATOM 0 H HIS A 104 11.557 11.100 -21.047 1.00 53.03 H new ATOM 0 HA HIS A 104 12.338 8.500 -21.273 1.00 72.30 H new ATOM 0 HB2 HIS A 104 10.916 9.329 -23.706 1.00 70.13 H new ATOM 0 HB3 HIS A 104 12.515 8.667 -23.985 1.00 70.13 H new ATOM 0 HD1 HIS A 104 12.811 6.339 -22.165 1.00 33.11 H new ATOM 0 HD2 HIS A 104 9.121 7.302 -23.936 1.00 40.24 H new ATOM 0 HE1 HIS A 104 11.398 4.207 -22.152 1.00 43.44 H new ATOM 1651 N LYS A 105 13.426 11.253 -22.696 1.00 60.14 N ATOM 1652 CA LYS A 105 14.612 12.065 -22.911 1.00 71.45 C ATOM 1653 C LYS A 105 15.089 12.627 -21.571 1.00 45.32 C ATOM 1654 O LYS A 105 14.317 13.252 -20.846 1.00 4.22 O ATOM 1655 CB LYS A 105 14.342 13.138 -23.968 1.00 63.21 C ATOM 1656 CG LYS A 105 13.565 12.559 -25.152 1.00 30.31 C ATOM 1657 CD LYS A 105 14.025 13.186 -26.469 1.00 53.24 C ATOM 1658 CE LYS A 105 13.219 14.448 -26.786 1.00 62.22 C ATOM 1659 NZ LYS A 105 13.908 15.648 -26.262 1.00 45.11 N ATOM 0 H LYS A 105 12.555 11.678 -23.014 1.00 60.14 H new ATOM 0 HA LYS A 105 15.424 11.456 -23.309 1.00 71.45 H new ATOM 0 HB2 LYS A 105 13.777 13.957 -23.523 1.00 63.21 H new ATOM 0 HB3 LYS A 105 15.287 13.555 -24.317 1.00 63.21 H new ATOM 0 HG2 LYS A 105 13.706 11.479 -25.191 1.00 30.31 H new ATOM 0 HG3 LYS A 105 12.499 12.737 -25.013 1.00 30.31 H new ATOM 0 HD2 LYS A 105 15.085 13.433 -26.408 1.00 53.24 H new ATOM 0 HD3 LYS A 105 13.912 12.465 -27.278 1.00 53.24 H new ATOM 0 HE2 LYS A 105 13.085 14.540 -27.864 1.00 62.22 H new ATOM 0 HE3 LYS A 105 12.224 14.371 -26.347 1.00 62.22 H new ATOM 0 HZ1 LYS A 105 13.348 16.495 -26.486 1.00 45.11 H new ATOM 0 HZ2 LYS A 105 14.014 15.565 -25.231 1.00 45.11 H new ATOM 0 HZ3 LYS A 105 14.847 15.728 -26.701 1.00 45.11 H new ATOM 1672 N PRO A 106 16.393 12.379 -21.275 1.00 64.24 N ATOM 1673 CA PRO A 106 16.983 12.854 -20.035 1.00 61.42 C ATOM 1674 C PRO A 106 17.248 14.359 -20.095 1.00 15.41 C ATOM 1675 O PRO A 106 17.431 14.919 -21.175 1.00 25.41 O ATOM 1676 CB PRO A 106 18.252 12.034 -19.864 1.00 14.03 C ATOM 1677 CG PRO A 106 18.568 11.464 -21.237 1.00 22.33 C ATOM 1678 CD PRO A 106 17.338 11.642 -22.111 1.00 15.24 C ATOM 0 HA PRO A 106 16.322 12.724 -19.178 1.00 61.42 H new ATOM 0 HB2 PRO A 106 19.072 12.654 -19.500 1.00 14.03 H new ATOM 0 HB3 PRO A 106 18.107 11.237 -19.134 1.00 14.03 H new ATOM 0 HG2 PRO A 106 19.425 11.976 -21.675 1.00 22.33 H new ATOM 0 HG3 PRO A 106 18.832 10.409 -21.161 1.00 22.33 H new ATOM 0 HD2 PRO A 106 17.575 12.193 -23.021 1.00 15.24 H new ATOM 0 HD3 PRO A 106 16.928 10.680 -22.419 1.00 15.24 H new ATOM 1686 N GLN A 107 17.258 14.973 -18.921 1.00 23.03 N ATOM 1687 CA GLN A 107 17.497 16.403 -18.826 1.00 4.13 C ATOM 1688 C GLN A 107 18.550 16.695 -17.754 1.00 55.41 C ATOM 1689 O GLN A 107 18.300 16.502 -16.565 1.00 62.22 O ATOM 1690 CB GLN A 107 16.198 17.158 -18.539 1.00 1.31 C ATOM 1691 CG GLN A 107 16.485 18.521 -17.905 1.00 35.14 C ATOM 1692 CD GLN A 107 17.452 19.334 -18.767 1.00 3.35 C ATOM 1693 OE1 GLN A 107 17.353 19.381 -19.982 1.00 21.33 O ATOM 1694 NE2 GLN A 107 18.391 19.971 -18.072 1.00 51.11 N ATOM 0 H GLN A 107 17.104 14.506 -18.027 1.00 23.03 H new ATOM 0 HA GLN A 107 17.877 16.753 -19.786 1.00 4.13 H new ATOM 0 HB2 GLN A 107 15.640 17.294 -19.465 1.00 1.31 H new ATOM 0 HB3 GLN A 107 15.570 16.568 -17.872 1.00 1.31 H new ATOM 0 HG2 GLN A 107 15.553 19.072 -17.780 1.00 35.14 H new ATOM 0 HG3 GLN A 107 16.908 18.381 -16.910 1.00 35.14 H new ATOM 0 HE21 GLN A 107 18.417 19.889 -17.056 1.00 51.11 H new ATOM 0 HE22 GLN A 107 19.085 20.541 -18.556 1.00 51.11 H new ATOM 1703 N GLN A 108 19.703 17.157 -18.213 1.00 64.23 N ATOM 1704 CA GLN A 108 20.794 17.478 -17.309 1.00 24.32 C ATOM 1705 C GLN A 108 20.261 18.196 -16.067 1.00 60.54 C ATOM 1706 O GLN A 108 19.135 18.691 -16.068 1.00 61.41 O ATOM 1707 CB GLN A 108 21.861 18.319 -18.013 1.00 31.02 C ATOM 1708 CG GLN A 108 21.917 19.733 -17.431 1.00 35.24 C ATOM 1709 CD GLN A 108 22.946 20.590 -18.170 1.00 11.02 C ATOM 1710 OE1 GLN A 108 23.004 20.624 -19.388 1.00 32.00 O ATOM 1711 NE2 GLN A 108 23.753 21.279 -17.367 1.00 73.34 N ATOM 0 H GLN A 108 19.906 17.317 -19.200 1.00 64.23 H new ATOM 0 HA GLN A 108 21.263 16.546 -16.993 1.00 24.32 H new ATOM 0 HB2 GLN A 108 22.834 17.840 -17.908 1.00 31.02 H new ATOM 0 HB3 GLN A 108 21.644 18.369 -19.080 1.00 31.02 H new ATOM 0 HG2 GLN A 108 20.934 20.198 -17.501 1.00 35.24 H new ATOM 0 HG3 GLN A 108 22.172 19.684 -16.372 1.00 35.24 H new ATOM 0 HE21 GLN A 108 23.650 21.205 -16.355 1.00 73.34 H new ATOM 0 HE22 GLN A 108 24.474 21.881 -17.764 1.00 73.34 H new ATOM 1720 N ILE A 109 21.095 18.229 -15.038 1.00 51.14 N ATOM 1721 CA ILE A 109 20.721 18.878 -13.793 1.00 43.22 C ATOM 1722 C ILE A 109 21.916 19.670 -13.257 1.00 71.41 C ATOM 1723 O ILE A 109 22.909 19.086 -12.826 1.00 31.30 O ATOM 1724 CB ILE A 109 20.167 17.854 -12.801 1.00 14.33 C ATOM 1725 CG1 ILE A 109 19.204 16.887 -13.492 1.00 32.41 C ATOM 1726 CG2 ILE A 109 19.519 18.549 -11.601 1.00 74.23 C ATOM 1727 CD1 ILE A 109 17.867 17.566 -13.794 1.00 53.13 C ATOM 0 H ILE A 109 22.028 17.817 -15.041 1.00 51.14 H new ATOM 0 HA ILE A 109 19.915 19.592 -13.962 1.00 43.22 H new ATOM 0 HB ILE A 109 20.999 17.262 -12.420 1.00 14.33 H new ATOM 0 HG12 ILE A 109 19.649 16.525 -14.419 1.00 32.41 H new ATOM 0 HG13 ILE A 109 19.039 16.017 -12.857 1.00 32.41 H new ATOM 0 HG21 ILE A 109 19.133 17.799 -10.911 1.00 74.23 H new ATOM 0 HG22 ILE A 109 20.262 19.163 -11.091 1.00 74.23 H new ATOM 0 HG23 ILE A 109 18.700 19.181 -11.945 1.00 74.23 H new ATOM 0 HD11 ILE A 109 17.201 16.856 -14.285 1.00 53.13 H new ATOM 0 HD12 ILE A 109 17.413 17.905 -12.863 1.00 53.13 H new ATOM 0 HD13 ILE A 109 18.033 18.421 -14.449 1.00 53.13 H new ATOM 1739 N PRO A 110 21.777 21.022 -13.303 1.00 32.32 N ATOM 1740 CA PRO A 110 22.833 21.899 -12.827 1.00 54.20 C ATOM 1741 C PRO A 110 22.880 21.921 -11.298 1.00 10.01 C ATOM 1742 O PRO A 110 21.911 21.549 -10.638 1.00 21.41 O ATOM 1743 CB PRO A 110 22.517 23.258 -13.431 1.00 61.21 C ATOM 1744 CG PRO A 110 21.054 23.203 -13.838 1.00 54.22 C ATOM 1745 CD PRO A 110 20.615 21.748 -13.807 1.00 0.22 C ATOM 0 HA PRO A 110 23.826 21.565 -13.128 1.00 54.20 H new ATOM 0 HB2 PRO A 110 22.692 24.056 -12.710 1.00 61.21 H new ATOM 0 HB3 PRO A 110 23.154 23.461 -14.292 1.00 61.21 H new ATOM 0 HG2 PRO A 110 20.446 23.800 -13.158 1.00 54.22 H new ATOM 0 HG3 PRO A 110 20.919 23.621 -14.836 1.00 54.22 H new ATOM 0 HD2 PRO A 110 19.749 21.609 -13.159 1.00 0.22 H new ATOM 0 HD3 PRO A 110 20.330 21.399 -14.799 1.00 0.22 H new ATOM 1753 N ILE A 111 24.017 22.361 -10.779 1.00 51.32 N ATOM 1754 CA ILE A 111 24.203 22.437 -9.340 1.00 62.21 C ATOM 1755 C ILE A 111 23.300 23.532 -8.770 1.00 34.10 C ATOM 1756 O ILE A 111 22.986 24.503 -9.457 1.00 34.31 O ATOM 1757 CB ILE A 111 25.683 22.622 -9.001 1.00 5.25 C ATOM 1758 CG1 ILE A 111 26.550 21.614 -9.757 1.00 61.42 C ATOM 1759 CG2 ILE A 111 25.912 22.554 -7.489 1.00 50.32 C ATOM 1760 CD1 ILE A 111 26.101 20.180 -9.469 1.00 74.33 C ATOM 0 H ILE A 111 24.819 22.669 -11.329 1.00 51.32 H new ATOM 0 HA ILE A 111 23.906 21.501 -8.867 1.00 62.21 H new ATOM 0 HB ILE A 111 25.986 23.616 -9.329 1.00 5.25 H new ATOM 0 HG12 ILE A 111 26.491 21.809 -10.828 1.00 61.42 H new ATOM 0 HG13 ILE A 111 27.594 21.737 -9.467 1.00 61.42 H new ATOM 0 HG21 ILE A 111 26.972 22.688 -7.275 1.00 50.32 H new ATOM 0 HG22 ILE A 111 25.340 23.342 -6.999 1.00 50.32 H new ATOM 0 HG23 ILE A 111 25.587 21.583 -7.115 1.00 50.32 H new ATOM 0 HD11 ILE A 111 26.734 19.483 -10.019 1.00 74.33 H new ATOM 0 HD12 ILE A 111 26.184 19.980 -8.401 1.00 74.33 H new ATOM 0 HD13 ILE A 111 25.065 20.053 -9.782 1.00 74.33 H new ATOM 1772 N ASP A 112 22.907 23.339 -7.519 1.00 72.04 N ATOM 1773 CA ASP A 112 22.045 24.298 -6.849 1.00 44.21 C ATOM 1774 C ASP A 112 20.800 24.543 -7.704 1.00 3.33 C ATOM 1775 O ASP A 112 20.127 25.561 -7.549 1.00 4.30 O ATOM 1776 CB ASP A 112 22.758 25.638 -6.657 1.00 2.21 C ATOM 1777 CG ASP A 112 22.311 26.439 -5.432 1.00 72.22 C ATOM 1778 OD1 ASP A 112 23.140 26.972 -4.680 1.00 51.43 O ATOM 1779 OD2 ASP A 112 21.034 26.505 -5.261 1.00 30.33 O ATOM 0 H ASP A 112 23.170 22.533 -6.952 1.00 72.04 H new ATOM 0 HA ASP A 112 21.778 23.888 -5.875 1.00 44.21 H new ATOM 0 HB2 ASP A 112 23.830 25.455 -6.581 1.00 2.21 H new ATOM 0 HB3 ASP A 112 22.601 26.247 -7.547 1.00 2.21 H new ATOM 1785 N SER A 113 20.531 23.593 -8.587 1.00 23.02 N ATOM 1786 CA SER A 113 19.379 23.693 -9.466 1.00 71.11 C ATOM 1787 C SER A 113 18.099 23.379 -8.689 1.00 71.40 C ATOM 1788 O SER A 113 18.112 23.325 -7.460 1.00 52.03 O ATOM 1789 CB SER A 113 19.517 22.752 -10.664 1.00 61.43 C ATOM 1790 OG SER A 113 18.370 22.791 -11.509 1.00 62.02 O ATOM 0 H SER A 113 21.091 22.750 -8.713 1.00 23.02 H new ATOM 0 HA SER A 113 19.325 24.714 -9.845 1.00 71.11 H new ATOM 0 HB2 SER A 113 20.401 23.026 -11.240 1.00 61.43 H new ATOM 0 HB3 SER A 113 19.671 21.733 -10.309 1.00 61.43 H new ATOM 0 HG SER A 113 18.491 23.483 -12.193 1.00 62.02 H new ATOM 1796 N THR A 114 17.024 23.179 -9.438 1.00 2.03 N ATOM 1797 CA THR A 114 15.739 22.871 -8.835 1.00 15.55 C ATOM 1798 C THR A 114 14.836 22.153 -9.840 1.00 23.25 C ATOM 1799 O THR A 114 14.579 22.667 -10.927 1.00 14.34 O ATOM 1800 CB THR A 114 15.140 24.176 -8.306 1.00 2.44 C ATOM 1801 OG1 THR A 114 16.063 24.601 -7.306 1.00 15.12 O ATOM 1802 CG2 THR A 114 13.835 23.954 -7.538 1.00 64.32 C ATOM 0 H THR A 114 17.017 23.224 -10.457 1.00 2.03 H new ATOM 0 HA THR A 114 15.851 22.184 -7.997 1.00 15.55 H new ATOM 0 HB THR A 114 14.959 24.856 -9.139 1.00 2.44 H new ATOM 0 HG1 THR A 114 16.556 23.826 -6.965 1.00 15.12 H new ATOM 0 HG21 THR A 114 13.453 24.912 -7.185 1.00 64.32 H new ATOM 0 HG22 THR A 114 13.100 23.491 -8.196 1.00 64.32 H new ATOM 0 HG23 THR A 114 14.021 23.301 -6.685 1.00 64.32 H new ATOM 1810 N VAL A 115 14.381 20.974 -9.440 1.00 51.43 N ATOM 1811 CA VAL A 115 13.513 20.180 -10.292 1.00 72.34 C ATOM 1812 C VAL A 115 12.197 19.908 -9.561 1.00 32.13 C ATOM 1813 O VAL A 115 12.157 19.896 -8.331 1.00 60.14 O ATOM 1814 CB VAL A 115 14.232 18.900 -10.724 1.00 41.12 C ATOM 1815 CG1 VAL A 115 15.677 18.888 -10.222 1.00 63.34 C ATOM 1816 CG2 VAL A 115 13.475 17.659 -10.248 1.00 24.51 C ATOM 0 H VAL A 115 14.597 20.550 -8.538 1.00 51.43 H new ATOM 0 HA VAL A 115 13.271 20.725 -11.204 1.00 72.34 H new ATOM 0 HB VAL A 115 14.256 18.880 -11.814 1.00 41.12 H new ATOM 0 HG11 VAL A 115 16.166 17.968 -10.542 1.00 63.34 H new ATOM 0 HG12 VAL A 115 16.212 19.745 -10.632 1.00 63.34 H new ATOM 0 HG13 VAL A 115 15.684 18.943 -9.133 1.00 63.34 H new ATOM 0 HG21 VAL A 115 14.007 16.763 -10.568 1.00 24.51 H new ATOM 0 HG22 VAL A 115 13.405 17.670 -9.160 1.00 24.51 H new ATOM 0 HG23 VAL A 115 12.473 17.658 -10.676 1.00 24.51 H new ATOM 1826 N SER A 116 11.152 19.696 -10.348 1.00 1.45 N ATOM 1827 CA SER A 116 9.838 19.426 -9.790 1.00 31.51 C ATOM 1828 C SER A 116 9.134 18.343 -10.611 1.00 23.25 C ATOM 1829 O SER A 116 8.796 18.561 -11.773 1.00 3.11 O ATOM 1830 CB SER A 116 8.986 20.696 -9.746 1.00 20.44 C ATOM 1831 OG SER A 116 8.295 20.918 -10.972 1.00 31.11 O ATOM 0 H SER A 116 11.189 19.706 -11.367 1.00 1.45 H new ATOM 0 HA SER A 116 9.967 19.072 -8.767 1.00 31.51 H new ATOM 0 HB2 SER A 116 8.265 20.621 -8.932 1.00 20.44 H new ATOM 0 HB3 SER A 116 9.624 21.553 -9.529 1.00 20.44 H new ATOM 0 HG SER A 116 8.195 20.068 -11.450 1.00 31.11 H new ATOM 1837 N PHE A 117 8.934 17.199 -9.973 1.00 64.53 N ATOM 1838 CA PHE A 117 8.277 16.081 -10.630 1.00 1.23 C ATOM 1839 C PHE A 117 6.788 16.366 -10.838 1.00 3.05 C ATOM 1840 O PHE A 117 6.247 17.309 -10.263 1.00 11.32 O ATOM 1841 CB PHE A 117 8.429 14.869 -9.708 1.00 54.23 C ATOM 1842 CG PHE A 117 9.798 14.191 -9.792 1.00 75.02 C ATOM 1843 CD1 PHE A 117 10.932 14.938 -9.720 1.00 31.35 C ATOM 1844 CD2 PHE A 117 9.880 12.842 -9.940 1.00 31.54 C ATOM 1845 CE1 PHE A 117 12.202 14.308 -9.797 1.00 43.25 C ATOM 1846 CE2 PHE A 117 11.150 12.212 -10.018 1.00 4.14 C ATOM 1847 CZ PHE A 117 12.285 12.959 -9.945 1.00 32.31 C ATOM 0 H PHE A 117 9.215 17.022 -9.009 1.00 64.53 H new ATOM 0 HA PHE A 117 8.726 15.907 -11.608 1.00 1.23 H new ATOM 0 HB2 PHE A 117 8.253 15.184 -8.679 1.00 54.23 H new ATOM 0 HB3 PHE A 117 7.658 14.139 -9.954 1.00 54.23 H new ATOM 0 HD1 PHE A 117 10.867 16.010 -9.604 1.00 31.35 H new ATOM 0 HD2 PHE A 117 8.979 12.249 -9.998 1.00 31.54 H new ATOM 0 HE1 PHE A 117 13.103 14.901 -9.738 1.00 43.25 H new ATOM 0 HE2 PHE A 117 11.215 11.140 -10.135 1.00 4.14 H new ATOM 0 HZ PHE A 117 13.251 12.481 -10.005 1.00 32.31 H new ATOM 1857 N GLY A 118 6.168 15.533 -11.661 1.00 5.32 N ATOM 1858 CA GLY A 118 4.753 15.684 -11.952 1.00 32.24 C ATOM 1859 C GLY A 118 3.981 16.126 -10.707 1.00 21.35 C ATOM 1860 O GLY A 118 3.684 17.308 -10.543 1.00 51.13 O ATOM 0 H GLY A 118 6.620 14.751 -12.135 1.00 5.32 H new ATOM 0 HA2 GLY A 118 4.618 16.417 -12.747 1.00 32.24 H new ATOM 0 HA3 GLY A 118 4.350 14.739 -12.318 1.00 32.24 H new ATOM 1864 N ALA A 119 3.679 15.152 -9.860 1.00 52.23 N ATOM 1865 CA ALA A 119 2.947 15.426 -8.635 1.00 25.11 C ATOM 1866 C ALA A 119 3.858 16.174 -7.659 1.00 51.11 C ATOM 1867 O ALA A 119 3.713 17.381 -7.470 1.00 70.13 O ATOM 1868 CB ALA A 119 2.420 14.114 -8.051 1.00 21.21 C ATOM 0 H ALA A 119 3.928 14.173 -9.998 1.00 52.23 H new ATOM 0 HA ALA A 119 2.085 16.063 -8.837 1.00 25.11 H new ATOM 0 HB1 ALA A 119 1.871 14.319 -7.132 1.00 21.21 H new ATOM 0 HB2 ALA A 119 1.756 13.636 -8.771 1.00 21.21 H new ATOM 0 HB3 ALA A 119 3.257 13.451 -7.833 1.00 21.21 H new ATOM 1874 N SER A 120 4.776 15.427 -7.065 1.00 22.43 N ATOM 1875 CA SER A 120 5.710 16.004 -6.113 1.00 41.01 C ATOM 1876 C SER A 120 6.095 17.419 -6.550 1.00 63.34 C ATOM 1877 O SER A 120 6.913 17.592 -7.452 1.00 45.43 O ATOM 1878 CB SER A 120 6.960 15.134 -5.971 1.00 23.41 C ATOM 1879 OG SER A 120 6.977 14.422 -4.737 1.00 25.54 O ATOM 0 H SER A 120 4.893 14.426 -7.224 1.00 22.43 H new ATOM 0 HA SER A 120 5.221 16.051 -5.140 1.00 41.01 H new ATOM 0 HB2 SER A 120 7.005 14.426 -6.799 1.00 23.41 H new ATOM 0 HB3 SER A 120 7.848 15.762 -6.040 1.00 23.41 H new ATOM 0 HG SER A 120 7.843 14.552 -4.296 1.00 25.54 H new ATOM 1885 N THR A 121 5.487 18.394 -5.891 1.00 22.42 N ATOM 1886 CA THR A 121 5.756 19.788 -6.200 1.00 61.32 C ATOM 1887 C THR A 121 7.102 20.215 -5.611 1.00 32.34 C ATOM 1888 O THR A 121 7.506 21.368 -5.748 1.00 14.41 O ATOM 1889 CB THR A 121 4.578 20.621 -5.691 1.00 70.33 C ATOM 1890 OG1 THR A 121 4.567 20.385 -4.286 1.00 63.21 O ATOM 1891 CG2 THR A 121 3.229 20.081 -6.170 1.00 71.51 C ATOM 0 H THR A 121 4.809 18.246 -5.144 1.00 22.42 H new ATOM 0 HA THR A 121 5.843 19.945 -7.275 1.00 61.32 H new ATOM 0 HB THR A 121 4.694 21.653 -6.021 1.00 70.33 H new ATOM 0 HG1 THR A 121 3.834 20.889 -3.875 1.00 63.21 H new ATOM 0 HG21 THR A 121 2.427 20.708 -5.781 1.00 71.51 H new ATOM 0 HG22 THR A 121 3.200 20.089 -7.260 1.00 71.51 H new ATOM 0 HG23 THR A 121 3.098 19.060 -5.811 1.00 71.51 H new ATOM 1899 N ARG A 122 7.759 19.261 -4.967 1.00 12.32 N ATOM 1900 CA ARG A 122 9.051 19.524 -4.356 1.00 14.12 C ATOM 1901 C ARG A 122 9.957 20.276 -5.333 1.00 31.22 C ATOM 1902 O ARG A 122 9.596 20.476 -6.492 1.00 33.25 O ATOM 1903 CB ARG A 122 9.735 18.223 -3.934 1.00 24.41 C ATOM 1904 CG ARG A 122 8.907 17.483 -2.882 1.00 35.01 C ATOM 1905 CD ARG A 122 8.475 18.429 -1.759 1.00 71.05 C ATOM 1906 NE ARG A 122 8.116 17.652 -0.552 1.00 64.42 N ATOM 1907 CZ ARG A 122 6.923 17.048 -0.368 1.00 22.34 C ATOM 1908 NH1 ARG A 122 5.962 17.127 -1.312 1.00 72.10 N ATOM 1909 NH2 ARG A 122 6.711 16.379 0.750 1.00 34.24 N ATOM 0 H ARG A 122 7.421 18.305 -4.855 1.00 12.32 H new ATOM 0 HA ARG A 122 8.881 20.135 -3.470 1.00 14.12 H new ATOM 0 HB2 ARG A 122 9.877 17.584 -4.805 1.00 24.41 H new ATOM 0 HB3 ARG A 122 10.725 18.442 -3.534 1.00 24.41 H new ATOM 0 HG2 ARG A 122 8.027 17.043 -3.350 1.00 35.01 H new ATOM 0 HG3 ARG A 122 9.491 16.662 -2.466 1.00 35.01 H new ATOM 0 HD2 ARG A 122 9.282 19.124 -1.527 1.00 71.05 H new ATOM 0 HD3 ARG A 122 7.623 19.027 -2.083 1.00 71.05 H new ATOM 0 HE ARG A 122 8.814 17.568 0.187 1.00 64.42 H new ATOM 0 HH11 ARG A 122 6.134 17.646 -2.173 1.00 72.10 H new ATOM 0 HH12 ARG A 122 5.063 16.667 -1.165 1.00 72.10 H new ATOM 0 HH21 ARG A 122 7.443 16.325 1.458 1.00 34.24 H new ATOM 0 HH22 ARG A 122 5.815 15.917 0.906 1.00 34.24 H new ATOM 1922 N ALA A 123 11.117 20.672 -4.829 1.00 73.34 N ATOM 1923 CA ALA A 123 12.077 21.397 -5.643 1.00 64.14 C ATOM 1924 C ALA A 123 13.462 20.771 -5.469 1.00 65.32 C ATOM 1925 O ALA A 123 14.396 21.435 -5.023 1.00 45.21 O ATOM 1926 CB ALA A 123 12.055 22.878 -5.262 1.00 1.35 C ATOM 0 H ALA A 123 11.413 20.504 -3.867 1.00 73.34 H new ATOM 0 HA ALA A 123 11.814 21.328 -6.699 1.00 64.14 H new ATOM 0 HB1 ALA A 123 12.776 23.422 -5.873 1.00 1.35 H new ATOM 0 HB2 ALA A 123 11.057 23.283 -5.431 1.00 1.35 H new ATOM 0 HB3 ALA A 123 12.317 22.987 -4.209 1.00 1.35 H new ATOM 1932 N TYR A 124 13.552 19.499 -5.830 1.00 55.14 N ATOM 1933 CA TYR A 124 14.807 18.776 -5.720 1.00 32.33 C ATOM 1934 C TYR A 124 15.990 19.670 -6.096 1.00 0.14 C ATOM 1935 O TYR A 124 16.283 19.855 -7.276 1.00 33.20 O ATOM 1936 CB TYR A 124 14.718 17.621 -6.719 1.00 52.15 C ATOM 1937 CG TYR A 124 13.661 16.572 -6.366 1.00 44.33 C ATOM 1938 CD1 TYR A 124 12.872 16.738 -5.247 1.00 14.12 C ATOM 1939 CD2 TYR A 124 13.498 15.460 -7.167 1.00 42.23 C ATOM 1940 CE1 TYR A 124 11.877 15.751 -4.914 1.00 63.05 C ATOM 1941 CE2 TYR A 124 12.504 14.473 -6.835 1.00 10.01 C ATOM 1942 CZ TYR A 124 11.743 14.667 -5.725 1.00 14.11 C ATOM 1943 OH TYR A 124 10.804 13.735 -5.411 1.00 35.20 O ATOM 0 H TYR A 124 12.775 18.951 -6.199 1.00 55.14 H new ATOM 0 HA TYR A 124 14.963 18.433 -4.697 1.00 32.33 H new ATOM 0 HB2 TYR A 124 14.498 18.025 -7.707 1.00 52.15 H new ATOM 0 HB3 TYR A 124 15.691 17.134 -6.783 1.00 52.15 H new ATOM 0 HD1 TYR A 124 13.000 17.608 -4.620 1.00 14.12 H new ATOM 0 HD2 TYR A 124 14.116 15.330 -8.043 1.00 42.23 H new ATOM 0 HE1 TYR A 124 11.252 15.869 -4.041 1.00 63.05 H new ATOM 0 HE2 TYR A 124 12.366 13.598 -7.453 1.00 10.01 H new ATOM 0 HH TYR A 124 10.650 13.152 -6.184 1.00 35.20 H new ATOM 1953 N THR A 125 16.638 20.201 -5.070 1.00 4.53 N ATOM 1954 CA THR A 125 17.783 21.072 -5.278 1.00 21.05 C ATOM 1955 C THR A 125 19.077 20.256 -5.299 1.00 31.34 C ATOM 1956 O THR A 125 19.674 20.006 -4.253 1.00 25.40 O ATOM 1957 CB THR A 125 17.762 22.149 -4.191 1.00 33.21 C ATOM 1958 OG1 THR A 125 16.697 23.013 -4.580 1.00 5.04 O ATOM 1959 CG2 THR A 125 19.002 23.044 -4.229 1.00 53.33 C ATOM 0 H THR A 125 16.392 20.045 -4.092 1.00 4.53 H new ATOM 0 HA THR A 125 17.732 21.567 -6.248 1.00 21.05 H new ATOM 0 HB THR A 125 17.687 21.676 -3.212 1.00 33.21 H new ATOM 0 HG1 THR A 125 15.869 22.495 -4.663 1.00 5.04 H new ATOM 0 HG21 THR A 125 18.936 23.790 -3.437 1.00 53.33 H new ATOM 0 HG22 THR A 125 19.894 22.436 -4.081 1.00 53.33 H new ATOM 0 HG23 THR A 125 19.060 23.544 -5.196 1.00 53.33 H new ATOM 1967 N LEU A 126 19.472 19.863 -6.501 1.00 35.12 N ATOM 1968 CA LEU A 126 20.684 19.080 -6.672 1.00 34.10 C ATOM 1969 C LEU A 126 21.895 19.933 -6.290 1.00 12.02 C ATOM 1970 O LEU A 126 22.257 20.862 -7.010 1.00 73.35 O ATOM 1971 CB LEU A 126 20.757 18.508 -8.089 1.00 54.33 C ATOM 1972 CG LEU A 126 22.092 17.877 -8.490 1.00 54.42 C ATOM 1973 CD1 LEU A 126 23.066 18.938 -9.007 1.00 73.22 C ATOM 1974 CD2 LEU A 126 22.685 17.069 -7.335 1.00 32.13 C ATOM 0 H LEU A 126 18.974 20.072 -7.366 1.00 35.12 H new ATOM 0 HA LEU A 126 20.678 18.218 -6.005 1.00 34.10 H new ATOM 0 HB2 LEU A 126 19.976 17.756 -8.196 1.00 54.33 H new ATOM 0 HB3 LEU A 126 20.529 19.307 -8.794 1.00 54.33 H new ATOM 0 HG LEU A 126 21.909 17.181 -9.309 1.00 54.42 H new ATOM 0 HD11 LEU A 126 24.007 18.463 -9.285 1.00 73.22 H new ATOM 0 HD12 LEU A 126 22.637 19.432 -9.879 1.00 73.22 H new ATOM 0 HD13 LEU A 126 23.249 19.676 -8.226 1.00 73.22 H new ATOM 0 HD21 LEU A 126 23.633 16.631 -7.646 1.00 32.13 H new ATOM 0 HD22 LEU A 126 22.851 17.724 -6.480 1.00 32.13 H new ATOM 0 HD23 LEU A 126 21.994 16.275 -7.054 1.00 32.13 H new ATOM 1986 N ARG A 127 22.488 19.587 -5.157 1.00 10.34 N ATOM 1987 CA ARG A 127 23.651 20.310 -4.670 1.00 31.21 C ATOM 1988 C ARG A 127 24.933 19.559 -5.035 1.00 42.44 C ATOM 1989 O ARG A 127 24.893 18.577 -5.774 1.00 75.21 O ATOM 1990 CB ARG A 127 23.590 20.493 -3.152 1.00 62.22 C ATOM 1991 CG ARG A 127 23.445 21.971 -2.783 1.00 75.45 C ATOM 1992 CD ARG A 127 22.109 22.530 -3.278 1.00 42.13 C ATOM 1993 NE ARG A 127 21.069 22.350 -2.241 1.00 4.35 N ATOM 1994 CZ ARG A 127 21.082 22.969 -1.041 1.00 5.22 C ATOM 1995 NH1 ARG A 127 22.084 23.815 -0.717 1.00 74.00 N ATOM 1996 NH2 ARG A 127 20.102 22.735 -0.189 1.00 73.20 N ATOM 0 H ARG A 127 22.185 18.816 -4.562 1.00 10.34 H new ATOM 0 HA ARG A 127 23.653 21.292 -5.143 1.00 31.21 H new ATOM 0 HB2 ARG A 127 22.749 19.929 -2.748 1.00 62.22 H new ATOM 0 HB3 ARG A 127 24.494 20.088 -2.697 1.00 62.22 H new ATOM 0 HG2 ARG A 127 23.514 22.088 -1.702 1.00 75.45 H new ATOM 0 HG3 ARG A 127 24.266 22.541 -3.219 1.00 75.45 H new ATOM 0 HD2 ARG A 127 22.215 23.588 -3.519 1.00 42.13 H new ATOM 0 HD3 ARG A 127 21.811 22.023 -4.196 1.00 42.13 H new ATOM 0 HE ARG A 127 20.294 21.719 -2.445 1.00 4.35 H new ATOM 0 HH11 ARG A 127 22.838 23.990 -1.381 1.00 74.00 H new ATOM 0 HH12 ARG A 127 22.086 24.279 0.192 1.00 74.00 H new ATOM 0 HH21 ARG A 127 19.349 22.094 -0.441 1.00 73.20 H new ATOM 0 HH22 ARG A 127 20.097 23.195 0.722 1.00 73.20 H new ATOM 2009 N GLU A 128 26.041 20.051 -4.501 1.00 44.31 N ATOM 2010 CA GLU A 128 27.333 19.439 -4.762 1.00 4.52 C ATOM 2011 C GLU A 128 28.348 19.869 -3.700 1.00 41.24 C ATOM 2012 O GLU A 128 28.761 21.027 -3.664 1.00 14.42 O ATOM 2013 CB GLU A 128 27.830 19.785 -6.167 1.00 2.10 C ATOM 2014 CG GLU A 128 29.313 19.442 -6.324 1.00 71.32 C ATOM 2015 CD GLU A 128 29.743 19.528 -7.790 1.00 60.41 C ATOM 2016 OE1 GLU A 128 29.034 19.026 -8.675 1.00 34.13 O ATOM 2017 OE2 GLU A 128 30.858 20.143 -7.996 1.00 12.31 O ATOM 0 H GLU A 128 26.071 20.866 -3.889 1.00 44.31 H new ATOM 0 HA GLU A 128 27.218 18.356 -4.710 1.00 4.52 H new ATOM 0 HB2 GLU A 128 27.246 19.239 -6.908 1.00 2.10 H new ATOM 0 HB3 GLU A 128 27.676 20.847 -6.360 1.00 2.10 H new ATOM 0 HG2 GLU A 128 29.914 20.126 -5.724 1.00 71.32 H new ATOM 0 HG3 GLU A 128 29.500 18.437 -5.945 1.00 71.32 H new ATOM 2025 N LYS A 129 28.721 18.913 -2.863 1.00 21.14 N ATOM 2026 CA LYS A 129 29.680 19.178 -1.803 1.00 74.03 C ATOM 2027 C LYS A 129 30.746 20.148 -2.317 1.00 71.51 C ATOM 2028 O LYS A 129 31.694 19.737 -2.984 1.00 22.51 O ATOM 2029 CB LYS A 129 30.251 17.868 -1.258 1.00 23.21 C ATOM 2030 CG LYS A 129 29.157 17.022 -0.605 1.00 35.24 C ATOM 2031 CD LYS A 129 29.720 15.692 -0.098 1.00 12.50 C ATOM 2032 CE LYS A 129 31.026 15.907 0.669 1.00 0.41 C ATOM 2033 NZ LYS A 129 32.155 16.091 -0.271 1.00 33.14 N ATOM 0 H LYS A 129 28.377 17.953 -2.897 1.00 21.14 H new ATOM 0 HA LYS A 129 29.190 19.661 -0.957 1.00 74.03 H new ATOM 0 HB2 LYS A 129 30.716 17.305 -2.068 1.00 23.21 H new ATOM 0 HB3 LYS A 129 31.033 18.083 -0.529 1.00 23.21 H new ATOM 0 HG2 LYS A 129 28.713 17.573 0.224 1.00 35.24 H new ATOM 0 HG3 LYS A 129 28.361 16.833 -1.325 1.00 35.24 H new ATOM 0 HD2 LYS A 129 28.989 15.207 0.549 1.00 12.50 H new ATOM 0 HD3 LYS A 129 29.894 15.022 -0.940 1.00 12.50 H new ATOM 0 HE2 LYS A 129 30.936 16.781 1.314 1.00 0.41 H new ATOM 0 HE3 LYS A 129 31.220 15.052 1.316 1.00 0.41 H new ATOM 0 HZ1 LYS A 129 32.955 16.530 0.229 1.00 33.14 H new ATOM 0 HZ2 LYS A 129 32.447 15.167 -0.648 1.00 33.14 H new ATOM 0 HZ3 LYS A 129 31.857 16.706 -1.055 1.00 33.14 H new ATOM 2046 N PRO A 130 30.550 21.450 -1.978 1.00 74.13 N ATOM 2047 CA PRO A 130 31.483 22.481 -2.398 1.00 0.30 C ATOM 2048 C PRO A 130 32.770 22.425 -1.573 1.00 22.42 C ATOM 2049 O PRO A 130 33.056 21.415 -0.930 1.00 50.52 O ATOM 2050 CB PRO A 130 30.726 23.789 -2.230 1.00 25.24 C ATOM 2051 CG PRO A 130 29.572 23.484 -1.289 1.00 52.12 C ATOM 2052 CD PRO A 130 29.438 21.973 -1.190 1.00 11.33 C ATOM 0 HA PRO A 130 31.811 22.356 -3.430 1.00 0.30 H new ATOM 0 HB2 PRO A 130 31.372 24.564 -1.818 1.00 25.24 H new ATOM 0 HB3 PRO A 130 30.361 24.155 -3.190 1.00 25.24 H new ATOM 0 HG2 PRO A 130 29.757 23.916 -0.306 1.00 52.12 H new ATOM 0 HG3 PRO A 130 28.648 23.926 -1.662 1.00 52.12 H new ATOM 0 HD2 PRO A 130 29.494 21.637 -0.154 1.00 11.33 H new ATOM 0 HD3 PRO A 130 28.480 21.634 -1.583 1.00 11.33 H new ATOM 2060 N GLN A 131 33.513 23.521 -1.617 1.00 55.23 N ATOM 2061 CA GLN A 131 34.762 23.609 -0.882 1.00 5.14 C ATOM 2062 C GLN A 131 34.561 23.150 0.564 1.00 61.11 C ATOM 2063 O GLN A 131 33.489 23.340 1.136 1.00 51.42 O ATOM 2064 CB GLN A 131 35.329 25.029 -0.932 1.00 4.23 C ATOM 2065 CG GLN A 131 34.549 25.964 -0.006 1.00 54.41 C ATOM 2066 CD GLN A 131 34.729 27.425 -0.424 1.00 55.20 C ATOM 2067 OE1 GLN A 131 35.832 27.919 -0.590 1.00 72.01 O ATOM 2068 NE2 GLN A 131 33.586 28.087 -0.584 1.00 71.22 N ATOM 0 H GLN A 131 33.273 24.356 -2.151 1.00 55.23 H new ATOM 0 HA GLN A 131 35.487 22.947 -1.356 1.00 5.14 H new ATOM 0 HB2 GLN A 131 36.379 25.015 -0.640 1.00 4.23 H new ATOM 0 HB3 GLN A 131 35.287 25.405 -1.954 1.00 4.23 H new ATOM 0 HG2 GLN A 131 33.491 25.704 -0.028 1.00 54.41 H new ATOM 0 HG3 GLN A 131 34.889 25.831 1.021 1.00 54.41 H new ATOM 0 HE21 GLN A 131 32.696 27.613 -0.429 1.00 71.22 H new ATOM 0 HE22 GLN A 131 33.600 29.068 -0.862 1.00 71.22 H new ATOM 2077 N THR A 132 35.609 22.554 1.113 1.00 20.32 N ATOM 2078 CA THR A 132 35.561 22.066 2.481 1.00 33.11 C ATOM 2079 C THR A 132 36.926 22.224 3.152 1.00 4.13 C ATOM 2080 O THR A 132 37.952 22.276 2.476 1.00 43.32 O ATOM 2081 CB THR A 132 35.063 20.620 2.450 1.00 72.52 C ATOM 2082 OG1 THR A 132 35.550 20.058 3.665 1.00 5.24 O ATOM 2083 CG2 THR A 132 35.741 19.790 1.358 1.00 44.12 C ATOM 0 H THR A 132 36.497 22.398 0.635 1.00 20.32 H new ATOM 0 HA THR A 132 34.868 22.651 3.085 1.00 33.11 H new ATOM 0 HB THR A 132 33.984 20.612 2.295 1.00 72.52 H new ATOM 0 HG1 THR A 132 35.271 19.121 3.727 1.00 5.24 H new ATOM 0 HG21 THR A 132 35.351 18.772 1.380 1.00 44.12 H new ATOM 0 HG22 THR A 132 35.538 20.235 0.384 1.00 44.12 H new ATOM 0 HG23 THR A 132 36.817 19.770 1.531 1.00 44.12 H new TER 2091 THR A 132