USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 51 ASN :FLIP amide:sc= -6.09! C(o=-20!,f=-16!) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -9.88! C(o=-16!,f=-16!) USER MOD Set 2.1: A 33 SER OG : rot 14:sc= -1.91! USER MOD Set 2.2: A 34 GLN :FLIP amide:sc= -0.204 F(o=-4.4!,f=-2.1) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.055) USER MOD Set 4.1: A 6 ASN : amide:sc=-0.00181 K(o=-0.0018,f=-3.2!) USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0 (180deg=-0.0111) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 SER OG : rot 80:sc= 1.19 USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.0631 (180deg=-0.877) USER MOD Single : A 10 GLN : amide:sc= -0.931 X(o=-0.93,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0251) USER MOD Single : A 21 THR OG1 : rot 7:sc= 0.433 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= -1.92! USER MOD Single : A 29 GLN : amide:sc= -1.01 K(o=-1,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -32:sc= 0.385 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0971 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0933 F(o=-2.3!,f=-0.093) USER MOD Single : A 61 GLN : amide:sc= -4.5! C(o=-4.5!,f=-10!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 64 THR OG1 : rot -116:sc= -3.27! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 99:sc= 0.051 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.87! C(o=-2.9!,f=-2.9!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 121:sc= 1.29 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= -0.0151 (180deg=-0.301) USER MOD Single : A 100 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.2!) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.175 F(o=-2.5,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.944 46.091 5.610 1.00 18.33 N ATOM 2 CA ALA A 1 16.829 45.065 4.989 1.00 16.52 C ATOM 3 C ALA A 1 16.049 44.290 3.925 1.00 15.03 C ATOM 4 O ALA A 1 14.917 43.902 4.130 1.00 16.00 O ATOM 5 CB ALA A 1 17.322 44.096 6.066 1.00 17.21 C ATOM 0 H1 ALA A 1 16.485 46.639 6.309 1.00 18.33 H new ATOM 0 H2 ALA A 1 15.583 46.730 4.873 1.00 18.33 H new ATOM 0 H3 ALA A 1 15.146 45.621 6.082 1.00 18.33 H new ATOM 0 HA ALA A 1 17.683 45.558 4.525 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.969 43.346 5.612 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.881 44.647 6.823 1.00 17.21 H new ATOM 0 HB3 ALA A 1 16.468 43.604 6.532 1.00 17.21 H new ATOM 13 N GLN A 2 16.651 44.056 2.792 1.00 14.70 N ATOM 14 CA GLN A 2 15.954 43.299 1.713 1.00 14.58 C ATOM 15 C GLN A 2 17.001 42.575 0.864 1.00 12.38 C ATOM 16 O GLN A 2 17.209 41.386 1.004 1.00 12.11 O ATOM 17 CB GLN A 2 15.147 44.266 0.835 1.00 17.38 C ATOM 18 CG GLN A 2 15.727 45.678 0.948 1.00 22.60 C ATOM 19 CD GLN A 2 14.971 46.616 0.006 1.00 24.11 C ATOM 20 OE1 GLN A 2 14.515 46.204 -1.042 1.00 29.77 O ATOM 21 NE2 GLN A 2 14.819 47.870 0.336 1.00 23.75 N ATOM 0 H GLN A 2 17.599 44.357 2.566 1.00 14.70 H new ATOM 0 HA GLN A 2 15.270 42.573 2.153 1.00 14.58 H new ATOM 0 HB2 GLN A 2 15.172 43.935 -0.203 1.00 17.38 H new ATOM 0 HB3 GLN A 2 14.102 44.267 1.145 1.00 17.38 H new ATOM 0 HG2 GLN A 2 15.647 46.035 1.975 1.00 22.60 H new ATOM 0 HG3 GLN A 2 16.787 45.669 0.695 1.00 22.60 H new ATOM 0 HE21 GLN A 2 15.202 48.216 1.216 1.00 23.75 H new ATOM 0 HE22 GLN A 2 14.317 48.504 -0.286 1.00 23.75 H new ATOM 30 N GLU A 3 17.674 43.281 -0.004 1.00 0.00 N ATOM 31 CA GLU A 3 18.717 42.625 -0.840 1.00 0.00 C ATOM 32 C GLU A 3 19.756 42.000 0.090 1.00 0.00 C ATOM 33 O GLU A 3 20.648 41.291 -0.334 1.00 0.00 O ATOM 34 CB GLU A 3 19.397 43.668 -1.731 1.00 0.00 C ATOM 35 CG GLU A 3 18.334 44.517 -2.429 1.00 0.00 C ATOM 36 CD GLU A 3 18.974 45.294 -3.581 1.00 0.00 C ATOM 37 OE1 GLU A 3 19.752 44.701 -4.310 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.677 46.470 -3.715 1.00 0.00 O ATOM 0 H GLU A 3 17.547 44.279 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 3 18.263 41.861 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.049 44.304 -1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.026 43.174 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.535 43.879 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.881 45.208 -1.718 1.00 0.00 H new ATOM 45 N PHE A 4 19.642 42.272 1.361 1.00 11.75 N ATOM 46 CA PHE A 4 20.610 41.721 2.348 1.00 10.29 C ATOM 47 C PHE A 4 20.560 40.192 2.360 1.00 10.97 C ATOM 48 O PHE A 4 21.500 39.527 1.974 1.00 7.53 O ATOM 49 CB PHE A 4 20.239 42.240 3.744 1.00 11.72 C ATOM 50 CG PHE A 4 21.167 43.361 4.155 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.405 44.434 3.287 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.786 43.328 5.412 1.00 12.51 C ATOM 53 CE1 PHE A 4 22.261 45.472 3.676 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.641 44.365 5.799 1.00 19.72 C ATOM 55 CZ PHE A 4 22.879 45.437 4.932 1.00 20.03 C ATOM 0 H PHE A 4 18.910 42.860 1.761 1.00 11.75 H new ATOM 0 HA PHE A 4 21.616 42.038 2.072 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.208 42.594 3.745 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.297 41.427 4.468 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.929 44.461 2.318 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.603 42.501 6.082 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.444 46.300 3.007 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.118 44.338 6.768 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.539 46.237 5.231 1.00 20.03 H new ATOM 65 N VAL A 5 19.481 39.632 2.832 1.00 10.96 N ATOM 66 CA VAL A 5 19.383 38.149 2.907 1.00 12.03 C ATOM 67 C VAL A 5 19.184 37.558 1.512 1.00 12.91 C ATOM 68 O VAL A 5 19.747 36.534 1.181 1.00 10.57 O ATOM 69 CB VAL A 5 18.202 37.765 3.804 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.160 38.700 5.013 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.892 37.889 3.021 1.00 9.23 C ATOM 0 H VAL A 5 18.662 40.139 3.169 1.00 10.96 H new ATOM 0 HA VAL A 5 20.308 37.751 3.325 1.00 12.03 H new ATOM 0 HB VAL A 5 18.324 36.735 4.138 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.320 38.429 5.653 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.089 38.610 5.575 1.00 5.33 H new ATOM 0 HG13 VAL A 5 18.040 39.729 4.673 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.056 37.615 3.664 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.767 38.917 2.682 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.919 37.223 2.158 1.00 9.23 H new ATOM 81 N ASN A 6 18.389 38.184 0.688 1.00 13.95 N ATOM 82 CA ASN A 6 18.169 37.639 -0.674 1.00 13.93 C ATOM 83 C ASN A 6 19.520 37.464 -1.367 1.00 14.98 C ATOM 84 O ASN A 6 19.739 36.513 -2.090 1.00 13.88 O ATOM 85 CB ASN A 6 17.297 38.609 -1.471 1.00 19.23 C ATOM 86 CG ASN A 6 15.837 38.456 -1.039 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.554 37.877 -0.008 1.00 28.33 O ATOM 88 ND2 ASN A 6 14.890 38.955 -1.786 1.00 26.59 N ATOM 0 H ASN A 6 17.886 39.045 0.901 1.00 13.95 H new ATOM 0 HA ASN A 6 17.667 36.674 -0.612 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.630 39.634 -1.307 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.394 38.409 -2.538 1.00 19.23 H new ATOM 0 HD21 ASN A 6 13.914 38.859 -1.504 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.126 39.441 -2.651 1.00 26.59 H new ATOM 95 N SER A 7 20.433 38.370 -1.147 1.00 0.00 N ATOM 96 CA SER A 7 21.770 38.245 -1.788 1.00 0.00 C ATOM 97 C SER A 7 22.580 37.152 -1.083 1.00 0.00 C ATOM 98 O SER A 7 23.614 36.730 -1.562 1.00 0.00 O ATOM 99 CB SER A 7 22.512 39.575 -1.679 1.00 0.00 C ATOM 100 OG SER A 7 21.855 40.548 -2.482 1.00 0.00 O ATOM 0 H SER A 7 20.310 39.189 -0.552 1.00 0.00 H new ATOM 0 HA SER A 7 21.643 37.981 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.541 39.904 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.545 39.456 -2.005 1.00 0.00 H new ATOM 0 HG SER A 7 21.075 40.896 -2.001 1.00 0.00 H new ATOM 106 N LYS A 8 22.131 36.703 0.061 1.00 13.50 N ATOM 107 CA LYS A 8 22.890 35.652 0.800 1.00 11.83 C ATOM 108 C LYS A 8 22.307 34.267 0.505 1.00 12.94 C ATOM 109 O LYS A 8 23.030 33.333 0.220 1.00 11.22 O ATOM 110 CB LYS A 8 22.810 35.939 2.301 1.00 13.35 C ATOM 111 CG LYS A 8 23.632 37.192 2.615 1.00 9.72 C ATOM 112 CD LYS A 8 23.485 37.556 4.095 1.00 17.72 C ATOM 113 CE LYS A 8 23.890 39.018 4.306 1.00 15.70 C ATOM 114 NZ LYS A 8 25.035 39.355 3.411 1.00 22.87 N ATOM 0 H LYS A 8 21.273 37.018 0.514 1.00 13.50 H new ATOM 0 HA LYS A 8 23.931 35.666 0.476 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.772 36.085 2.601 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.189 35.088 2.867 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.681 37.018 2.377 1.00 9.72 H new ATOM 0 HG3 LYS A 8 23.298 38.022 1.993 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.455 37.403 4.417 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.110 36.903 4.704 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.045 39.674 4.095 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.169 39.182 5.347 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.543 40.178 3.793 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.683 38.543 3.355 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.678 39.579 2.460 1.00 22.87 H new ATOM 128 N ILE A 9 21.011 34.115 0.573 1.00 11.05 N ATOM 129 CA ILE A 9 20.415 32.775 0.297 1.00 13.61 C ATOM 130 C ILE A 9 20.350 32.534 -1.207 1.00 12.23 C ATOM 131 O ILE A 9 19.963 33.392 -1.973 1.00 12.72 O ATOM 132 CB ILE A 9 19.002 32.681 0.878 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.162 33.865 0.380 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.085 32.679 2.405 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.134 34.287 1.437 1.00 25.19 C ATOM 0 H ILE A 9 20.345 34.852 0.805 1.00 11.05 H new ATOM 0 HA ILE A 9 21.045 32.020 0.767 1.00 13.61 H new ATOM 0 HB ILE A 9 18.524 31.757 0.551 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.814 34.706 0.145 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.650 33.591 -0.542 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.081 32.612 2.824 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.674 31.824 2.736 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.559 33.600 2.745 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.550 35.128 1.062 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.469 33.451 1.652 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.651 34.583 2.350 1.00 25.19 H new ATOM 147 N GLN A 10 20.715 31.359 -1.625 1.00 11.13 N ATOM 148 CA GLN A 10 20.675 31.020 -3.070 1.00 10.86 C ATOM 149 C GLN A 10 20.333 29.530 -3.208 1.00 10.00 C ATOM 150 O GLN A 10 20.603 28.761 -2.309 1.00 10.42 O ATOM 151 CB GLN A 10 22.047 31.295 -3.701 1.00 14.27 C ATOM 152 CG GLN A 10 22.144 32.763 -4.123 1.00 22.05 C ATOM 153 CD GLN A 10 21.227 33.015 -5.322 1.00 30.84 C ATOM 154 OE1 GLN A 10 20.106 33.458 -5.163 1.00 32.99 O ATOM 155 NE2 GLN A 10 21.658 32.750 -6.525 1.00 34.61 N ATOM 0 H GLN A 10 21.044 30.608 -1.018 1.00 11.13 H new ATOM 0 HA GLN A 10 19.924 31.626 -3.578 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.838 31.060 -2.989 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.195 30.649 -4.566 1.00 14.27 H new ATOM 0 HG2 GLN A 10 21.860 33.410 -3.293 1.00 22.05 H new ATOM 0 HG3 GLN A 10 23.174 33.010 -4.382 1.00 22.05 H new ATOM 0 HE21 GLN A 10 22.598 32.378 -6.660 1.00 34.61 H new ATOM 0 HE22 GLN A 10 21.055 32.915 -7.331 1.00 34.61 H new ATOM 164 N PRO A 11 19.753 29.156 -4.323 1.00 6.53 N ATOM 165 CA PRO A 11 19.386 27.751 -4.563 1.00 7.75 C ATOM 166 C PRO A 11 20.619 26.857 -4.419 1.00 6.33 C ATOM 167 O PRO A 11 21.661 27.121 -4.983 1.00 9.49 O ATOM 168 CB PRO A 11 18.850 27.721 -6.002 1.00 8.32 C ATOM 169 CG PRO A 11 18.806 29.185 -6.511 1.00 7.94 C ATOM 170 CD PRO A 11 19.419 30.079 -5.423 1.00 11.72 C ATOM 0 HA PRO A 11 18.646 27.384 -3.851 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.493 27.113 -6.638 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.856 27.274 -6.032 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.362 29.282 -7.443 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.779 29.486 -6.719 1.00 7.94 H new ATOM 0 HD2 PRO A 11 20.306 30.596 -5.789 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.715 30.845 -5.097 1.00 11.72 H new ATOM 178 N GLY A 12 20.502 25.801 -3.667 1.00 5.64 N ATOM 179 CA GLY A 12 21.657 24.882 -3.480 1.00 8.39 C ATOM 180 C GLY A 12 22.702 25.541 -2.581 1.00 7.67 C ATOM 181 O GLY A 12 23.884 25.282 -2.696 1.00 10.24 O ATOM 0 H GLY A 12 19.652 25.533 -3.171 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.320 23.945 -3.036 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.098 24.636 -4.446 1.00 8.39 H new ATOM 185 N LYS A 13 22.279 26.388 -1.680 1.00 9.66 N ATOM 186 CA LYS A 13 23.251 27.059 -0.768 1.00 10.29 C ATOM 187 C LYS A 13 22.671 27.109 0.643 1.00 10.20 C ATOM 188 O LYS A 13 21.531 27.480 0.843 1.00 6.89 O ATOM 189 CB LYS A 13 23.521 28.484 -1.256 1.00 9.77 C ATOM 190 CG LYS A 13 24.733 29.057 -0.516 1.00 10.63 C ATOM 191 CD LYS A 13 24.724 30.584 -0.612 1.00 12.04 C ATOM 192 CE LYS A 13 25.922 31.148 0.153 1.00 19.12 C ATOM 193 NZ LYS A 13 27.157 30.972 -0.662 1.00 25.36 N ATOM 0 H LYS A 13 21.302 26.644 -1.536 1.00 9.66 H new ATOM 0 HA LYS A 13 24.185 26.497 -0.762 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.705 28.483 -2.330 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.646 29.111 -1.083 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.711 28.749 0.529 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.653 28.662 -0.946 1.00 10.63 H new ATOM 0 HD2 LYS A 13 24.767 30.894 -1.656 1.00 12.04 H new ATOM 0 HD3 LYS A 13 23.796 30.980 -0.200 1.00 12.04 H new ATOM 0 HE2 LYS A 13 25.764 32.204 0.370 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.029 30.638 1.110 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 27.947 31.473 -0.208 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 27.384 29.960 -0.734 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 27.003 31.360 -1.614 1.00 25.36 H new ATOM 207 N VAL A 14 23.448 26.742 1.629 1.00 10.89 N ATOM 208 CA VAL A 14 22.947 26.772 3.026 1.00 9.99 C ATOM 209 C VAL A 14 23.510 28.000 3.741 1.00 5.01 C ATOM 210 O VAL A 14 24.704 28.229 3.757 1.00 6.68 O ATOM 211 CB VAL A 14 23.392 25.503 3.756 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.894 25.544 5.203 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.807 24.278 3.048 1.00 5.86 C ATOM 0 H VAL A 14 24.411 26.422 1.521 1.00 10.89 H new ATOM 0 HA VAL A 14 21.858 26.822 3.022 1.00 9.99 H new ATOM 0 HB VAL A 14 24.480 25.442 3.750 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.211 24.640 5.723 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.310 26.417 5.706 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.806 25.605 5.212 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.123 23.373 3.567 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.719 24.339 3.055 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.162 24.249 2.018 1.00 5.86 H new ATOM 223 N VAL A 15 22.658 28.788 4.338 1.00 3.11 N ATOM 224 CA VAL A 15 23.131 30.006 5.060 1.00 10.10 C ATOM 225 C VAL A 15 22.409 30.084 6.404 1.00 9.35 C ATOM 226 O VAL A 15 21.240 29.768 6.510 1.00 11.00 O ATOM 227 CB VAL A 15 22.840 31.257 4.202 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.698 32.083 4.806 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.092 32.135 4.125 1.00 10.96 C ATOM 0 H VAL A 15 21.649 28.641 4.357 1.00 3.11 H new ATOM 0 HA VAL A 15 24.206 29.956 5.235 1.00 10.10 H new ATOM 0 HB VAL A 15 22.550 30.922 3.206 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.513 32.958 4.183 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.795 31.475 4.854 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.973 32.404 5.811 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.882 33.016 3.519 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.381 32.446 5.129 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.906 31.569 3.672 1.00 10.96 H new ATOM 239 N VAL A 16 23.102 30.478 7.437 1.00 8.87 N ATOM 240 CA VAL A 16 22.468 30.548 8.781 1.00 5.41 C ATOM 241 C VAL A 16 22.562 31.963 9.362 1.00 6.62 C ATOM 242 O VAL A 16 23.634 32.514 9.519 1.00 8.94 O ATOM 243 CB VAL A 16 23.193 29.574 9.709 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.475 29.511 11.059 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.205 28.183 9.069 1.00 5.31 C ATOM 0 H VAL A 16 24.083 30.755 7.406 1.00 8.87 H new ATOM 0 HA VAL A 16 21.414 30.286 8.690 1.00 5.41 H new ATOM 0 HB VAL A 16 24.216 29.915 9.865 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.996 28.815 11.716 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.466 30.502 11.513 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.450 29.171 10.910 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.721 27.484 9.727 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.180 27.845 8.913 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.722 28.228 8.110 1.00 5.31 H new ATOM 255 N PHE A 17 21.440 32.536 9.717 1.00 5.51 N ATOM 256 CA PHE A 17 21.440 33.894 10.330 1.00 5.80 C ATOM 257 C PHE A 17 21.490 33.721 11.848 1.00 7.23 C ATOM 258 O PHE A 17 20.599 33.148 12.443 1.00 5.39 O ATOM 259 CB PHE A 17 20.160 34.631 9.932 1.00 5.73 C ATOM 260 CG PHE A 17 20.220 34.972 8.466 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.861 34.013 7.513 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.642 36.242 8.058 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.922 34.325 6.151 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.705 36.554 6.696 1.00 5.88 C ATOM 265 CZ PHE A 17 20.345 35.596 5.742 1.00 5.73 C ATOM 0 H PHE A 17 20.517 32.115 9.606 1.00 5.51 H new ATOM 0 HA PHE A 17 22.298 34.473 9.987 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.289 34.009 10.137 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.050 35.539 10.525 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.537 33.032 7.829 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.919 36.981 8.795 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.643 33.586 5.415 1.00 9.93 H new ATOM 0 HE2 PHE A 17 21.031 37.534 6.381 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.393 35.837 4.690 1.00 5.73 H new ATOM 275 N ILE A 18 22.540 34.176 12.479 1.00 8.64 N ATOM 276 CA ILE A 18 22.662 33.992 13.957 1.00 6.83 C ATOM 277 C ILE A 18 22.947 35.313 14.662 1.00 10.62 C ATOM 278 O ILE A 18 23.066 36.359 14.057 1.00 6.74 O ATOM 279 CB ILE A 18 23.831 33.038 14.238 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.101 33.561 13.553 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.506 31.640 13.700 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.318 32.789 14.072 1.00 8.36 C ATOM 0 H ILE A 18 23.318 34.666 12.037 1.00 8.64 H new ATOM 0 HA ILE A 18 21.719 33.592 14.330 1.00 6.83 H new ATOM 0 HB ILE A 18 23.992 32.983 15.315 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.018 33.445 12.472 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.221 34.626 13.751 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.340 30.969 13.903 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.608 31.262 14.189 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.338 31.694 12.624 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.220 33.161 13.585 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.404 32.927 15.150 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.197 31.728 13.851 1.00 8.36 H new ATOM 294 N LYS A 19 23.088 35.233 15.953 1.00 12.12 N ATOM 295 CA LYS A 19 23.404 36.422 16.785 1.00 15.62 C ATOM 296 C LYS A 19 24.399 35.936 17.844 1.00 16.36 C ATOM 297 O LYS A 19 23.993 35.448 18.878 1.00 13.35 O ATOM 298 CB LYS A 19 22.130 36.937 17.478 1.00 18.25 C ATOM 299 CG LYS A 19 21.394 37.940 16.574 1.00 25.24 C ATOM 300 CD LYS A 19 20.699 38.999 17.434 1.00 30.64 C ATOM 301 CE LYS A 19 19.632 38.332 18.302 1.00 31.75 C ATOM 302 NZ LYS A 19 18.945 39.367 19.122 1.00 38.73 N ATOM 0 H LYS A 19 22.994 34.365 16.481 1.00 12.12 H new ATOM 0 HA LYS A 19 23.810 37.234 16.182 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.473 36.100 17.713 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.390 37.413 18.423 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.100 38.417 15.894 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.660 37.419 15.959 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.429 39.508 18.064 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.243 39.758 16.798 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.909 37.811 17.674 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.089 37.584 18.949 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.218 38.915 19.713 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 19.640 39.845 19.731 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.496 40.065 18.495 1.00 38.73 H new ATOM 316 N PRO A 20 25.673 36.033 17.541 1.00 17.46 N ATOM 317 CA PRO A 20 26.723 35.549 18.450 1.00 20.12 C ATOM 318 C PRO A 20 26.462 36.033 19.876 1.00 24.12 C ATOM 319 O PRO A 20 27.035 36.999 20.336 1.00 24.58 O ATOM 320 CB PRO A 20 28.026 36.108 17.868 1.00 20.63 C ATOM 321 CG PRO A 20 27.706 36.621 16.440 1.00 18.08 C ATOM 322 CD PRO A 20 26.174 36.647 16.295 1.00 17.14 C ATOM 0 HA PRO A 20 26.760 34.462 18.520 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.410 36.916 18.490 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.796 35.337 17.837 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.123 37.616 16.287 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.152 35.969 15.689 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.804 37.666 16.178 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.849 36.087 15.418 1.00 17.14 H new ATOM 330 N THR A 21 25.589 35.353 20.569 1.00 24.78 N ATOM 331 CA THR A 21 25.256 35.738 21.967 1.00 27.36 C ATOM 332 C THR A 21 24.295 34.699 22.542 1.00 24.99 C ATOM 333 O THR A 21 24.324 34.391 23.716 1.00 26.49 O ATOM 334 CB THR A 21 24.581 37.115 21.972 1.00 28.64 C ATOM 335 OG1 THR A 21 25.541 38.112 21.659 1.00 30.99 O ATOM 336 CG2 THR A 21 23.985 37.397 23.355 1.00 34.82 C ATOM 0 H THR A 21 25.087 34.537 20.220 1.00 24.78 H new ATOM 0 HA THR A 21 26.164 35.782 22.568 1.00 27.36 H new ATOM 0 HB THR A 21 23.784 37.127 21.229 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.385 37.685 21.404 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.507 38.377 23.352 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.246 36.633 23.595 1.00 34.82 H new ATOM 0 HG23 THR A 21 24.778 37.382 24.103 1.00 34.82 H new ATOM 344 N CYS A 22 23.436 34.158 21.717 1.00 21.46 N ATOM 345 CA CYS A 22 22.464 33.142 22.208 1.00 17.23 C ATOM 346 C CYS A 22 22.989 31.723 21.889 1.00 14.71 C ATOM 347 O CYS A 22 23.277 31.431 20.745 1.00 13.71 O ATOM 348 CB CYS A 22 21.120 33.382 21.514 1.00 15.71 C ATOM 349 SG CYS A 22 19.784 33.172 22.717 1.00 9.78 S ATOM 0 H CYS A 22 23.367 34.378 20.723 1.00 21.46 H new ATOM 0 HA CYS A 22 22.339 33.228 23.287 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.090 34.386 21.091 1.00 15.71 H new ATOM 0 HB3 CYS A 22 20.994 32.683 20.687 1.00 15.71 H new ATOM 354 N PRO A 23 23.112 30.884 22.906 1.00 13.86 N ATOM 355 CA PRO A 23 23.617 29.500 22.735 1.00 13.47 C ATOM 356 C PRO A 23 22.801 28.686 21.712 1.00 8.59 C ATOM 357 O PRO A 23 23.252 27.659 21.243 1.00 10.79 O ATOM 358 CB PRO A 23 23.509 28.868 24.128 1.00 11.94 C ATOM 359 CG PRO A 23 23.111 29.982 25.119 1.00 7.24 C ATOM 360 CD PRO A 23 22.777 31.240 24.302 1.00 12.58 C ATOM 0 HA PRO A 23 24.635 29.508 22.345 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.765 28.071 24.130 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.459 28.419 24.419 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.252 29.674 25.715 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.926 30.183 25.815 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.725 31.508 24.400 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.357 32.098 24.642 1.00 12.58 H new ATOM 368 N TYR A 24 21.620 29.115 21.356 1.00 0.00 N ATOM 369 CA TYR A 24 20.821 28.328 20.361 1.00 0.00 C ATOM 370 C TYR A 24 21.432 28.477 18.973 1.00 0.00 C ATOM 371 O TYR A 24 21.547 27.525 18.230 1.00 0.00 O ATOM 372 CB TYR A 24 19.380 28.831 20.322 1.00 0.00 C ATOM 373 CG TYR A 24 18.576 28.161 21.405 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.620 28.646 22.716 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.777 27.054 21.090 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.864 28.024 23.715 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.022 26.432 22.089 1.00 0.00 C ATOM 378 CZ TYR A 24 17.065 26.918 23.402 1.00 0.00 C ATOM 379 OH TYR A 24 16.316 26.309 24.387 1.00 0.00 O ATOM 0 H TYR A 24 21.175 29.964 21.703 1.00 0.00 H new ATOM 0 HA TYR A 24 20.832 27.280 20.661 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.359 29.912 20.457 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.939 28.623 19.347 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.237 29.499 22.957 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.744 26.682 20.077 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.897 28.397 24.728 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.406 25.578 21.849 1.00 0.00 H new ATOM 0 HH TYR A 24 15.818 25.558 24.002 1.00 0.00 H new ATOM 389 N SER A 25 21.830 29.658 18.614 1.00 0.00 N ATOM 390 CA SER A 25 22.438 29.837 17.271 1.00 0.00 C ATOM 391 C SER A 25 23.741 29.045 17.238 1.00 0.00 C ATOM 392 O SER A 25 24.143 28.518 16.219 1.00 0.00 O ATOM 393 CB SER A 25 22.726 31.318 17.033 1.00 0.00 C ATOM 394 OG SER A 25 22.054 32.093 18.017 1.00 0.00 O ATOM 0 H SER A 25 21.763 30.501 19.184 1.00 0.00 H new ATOM 0 HA SER A 25 21.760 29.484 16.493 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.799 31.503 17.079 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.395 31.609 16.036 1.00 0.00 H new ATOM 0 HG SER A 25 22.471 32.978 18.078 1.00 0.00 H new ATOM 400 N ARG A 26 24.388 28.943 18.362 1.00 16.21 N ATOM 401 CA ARG A 26 25.653 28.169 18.428 1.00 15.67 C ATOM 402 C ARG A 26 25.356 26.715 18.060 1.00 13.70 C ATOM 403 O ARG A 26 26.110 26.077 17.354 1.00 12.41 O ATOM 404 CB ARG A 26 26.212 28.238 19.853 1.00 22.04 C ATOM 405 CG ARG A 26 27.005 29.537 20.035 1.00 31.64 C ATOM 406 CD ARG A 26 28.441 29.340 19.546 1.00 43.08 C ATOM 407 NE ARG A 26 29.281 30.482 19.999 1.00 52.93 N ATOM 408 CZ ARG A 26 30.580 30.386 19.958 1.00 57.80 C ATOM 409 NH1 ARG A 26 31.135 29.288 19.521 1.00 58.61 N ATOM 410 NH2 ARG A 26 31.324 31.383 20.354 1.00 59.59 N ATOM 0 H ARG A 26 24.093 29.365 19.242 1.00 16.21 H new ATOM 0 HA ARG A 26 26.386 28.582 17.735 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.397 28.194 20.576 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.855 27.379 20.044 1.00 22.04 H new ATOM 0 HG2 ARG A 26 26.529 30.345 19.479 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.006 29.830 21.085 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.843 28.403 19.933 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.460 29.270 18.458 1.00 43.08 H new ATOM 0 HE ARG A 26 28.842 31.337 20.340 1.00 52.93 H new ATOM 0 HH11 ARG A 26 30.552 28.509 19.213 1.00 58.61 H new ATOM 0 HH12 ARG A 26 32.151 29.209 19.487 1.00 58.61 H new ATOM 0 HH21 ARG A 26 30.889 32.240 20.696 1.00 59.59 H new ATOM 0 HH22 ARG A 26 32.341 31.305 20.321 1.00 59.59 H new ATOM 424 N ARG A 27 24.253 26.188 18.525 1.00 0.00 N ATOM 425 CA ARG A 27 23.906 24.780 18.185 1.00 0.00 C ATOM 426 C ARG A 27 23.921 24.626 16.668 1.00 0.00 C ATOM 427 O ARG A 27 24.503 23.706 16.130 1.00 0.00 O ATOM 428 CB ARG A 27 22.503 24.449 18.703 1.00 0.00 C ATOM 429 CG ARG A 27 22.578 23.993 20.160 1.00 0.00 C ATOM 430 CD ARG A 27 21.159 23.828 20.713 1.00 0.00 C ATOM 431 NE ARG A 27 21.178 23.953 22.207 1.00 0.00 N ATOM 432 CZ ARG A 27 21.998 23.246 22.935 1.00 0.00 C ATOM 433 NH1 ARG A 27 22.724 22.309 22.390 1.00 0.00 N ATOM 434 NH2 ARG A 27 22.058 23.445 24.225 1.00 0.00 N ATOM 0 H ARG A 27 23.582 26.671 19.122 1.00 0.00 H new ATOM 0 HA ARG A 27 24.628 24.106 18.645 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.860 25.325 18.620 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.056 23.666 18.091 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.120 23.050 20.230 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.129 24.722 20.753 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.502 24.584 20.284 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.758 22.856 20.425 1.00 0.00 H new ATOM 0 HE ARG A 27 20.538 24.603 22.663 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.652 22.126 21.389 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.363 21.760 22.965 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.465 24.151 24.660 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.698 22.894 24.797 1.00 0.00 H new ATOM 448 N ALA A 28 23.281 25.524 15.972 1.00 0.00 N ATOM 449 CA ALA A 28 23.256 25.428 14.492 1.00 0.00 C ATOM 450 C ALA A 28 24.691 25.459 13.965 1.00 0.00 C ATOM 451 O ALA A 28 25.029 24.794 13.008 1.00 0.00 O ATOM 452 CB ALA A 28 22.471 26.606 13.913 1.00 0.00 C ATOM 0 H ALA A 28 22.776 26.318 16.366 1.00 0.00 H new ATOM 0 HA ALA A 28 22.775 24.497 14.193 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.454 26.533 12.826 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.450 26.585 14.294 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.949 27.541 14.206 1.00 0.00 H new ATOM 458 N GLN A 29 25.538 26.226 14.592 1.00 19.83 N ATOM 459 CA GLN A 29 26.955 26.304 14.144 1.00 20.83 C ATOM 460 C GLN A 29 27.671 24.998 14.485 1.00 20.95 C ATOM 461 O GLN A 29 28.400 24.443 13.686 1.00 22.85 O ATOM 462 CB GLN A 29 27.648 27.460 14.871 1.00 21.33 C ATOM 463 CG GLN A 29 27.128 28.809 14.348 1.00 34.02 C ATOM 464 CD GLN A 29 28.292 29.798 14.243 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.508 30.391 13.205 1.00 42.72 O ATOM 466 NE2 GLN A 29 29.059 29.998 15.281 1.00 45.49 N ATOM 0 H GLN A 29 25.308 26.805 15.400 1.00 19.83 H new ATOM 0 HA GLN A 29 26.988 26.468 13.067 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.468 27.384 15.943 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.726 27.397 14.724 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.660 28.677 13.373 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.363 29.201 15.018 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.878 29.500 16.153 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.839 30.652 15.220 1.00 45.49 H new ATOM 475 N GLU A 30 27.478 24.519 15.678 1.00 22.87 N ATOM 476 CA GLU A 30 28.150 23.262 16.106 1.00 23.32 C ATOM 477 C GLU A 30 27.558 22.050 15.379 1.00 22.32 C ATOM 478 O GLU A 30 28.243 21.081 15.121 1.00 25.42 O ATOM 479 CB GLU A 30 27.958 23.089 17.613 1.00 24.18 C ATOM 480 CG GLU A 30 28.703 24.200 18.354 1.00 32.27 C ATOM 481 CD GLU A 30 28.809 23.841 19.837 1.00 34.97 C ATOM 482 OE1 GLU A 30 27.799 23.911 20.516 1.00 32.92 O ATOM 483 OE2 GLU A 30 29.899 23.500 20.266 1.00 34.69 O ATOM 0 H GLU A 30 26.878 24.947 16.383 1.00 22.87 H new ATOM 0 HA GLU A 30 29.210 23.327 15.860 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.897 23.120 17.861 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.330 22.114 17.928 1.00 24.18 H new ATOM 0 HG2 GLU A 30 29.698 24.332 17.929 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.177 25.147 18.235 1.00 32.27 H new ATOM 490 N ILE A 31 26.290 22.074 15.070 1.00 0.00 N ATOM 491 CA ILE A 31 25.676 20.894 14.389 1.00 0.00 C ATOM 492 C ILE A 31 26.002 20.900 12.888 1.00 0.00 C ATOM 493 O ILE A 31 26.561 19.953 12.371 1.00 0.00 O ATOM 494 CB ILE A 31 24.155 20.902 14.621 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.579 19.497 14.372 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.470 21.917 13.704 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.840 19.043 12.930 1.00 0.00 C ATOM 0 H ILE A 31 25.656 22.851 15.257 1.00 0.00 H new ATOM 0 HA ILE A 31 26.094 19.981 14.813 1.00 0.00 H new ATOM 0 HB ILE A 31 23.966 21.191 15.655 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.028 18.788 15.067 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.507 19.500 14.568 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.395 21.905 13.886 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.861 22.914 13.908 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.665 21.657 12.664 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.423 18.047 12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.369 19.741 12.238 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.914 19.018 12.745 1.00 0.00 H new ATOM 509 N LEU A 32 25.664 21.943 12.177 1.00 16.72 N ATOM 510 CA LEU A 32 25.962 21.969 10.720 1.00 15.05 C ATOM 511 C LEU A 32 27.465 21.833 10.497 1.00 15.55 C ATOM 512 O LEU A 32 27.908 21.429 9.440 1.00 17.28 O ATOM 513 CB LEU A 32 25.450 23.283 10.117 1.00 12.57 C ATOM 514 CG LEU A 32 24.025 23.087 9.575 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.227 24.380 9.744 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.089 22.717 8.088 1.00 12.45 C ATOM 0 H LEU A 32 25.197 22.773 12.542 1.00 16.72 H new ATOM 0 HA LEU A 32 25.460 21.134 10.230 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.456 24.068 10.873 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.112 23.608 9.315 1.00 12.57 H new ATOM 0 HG LEU A 32 23.536 22.286 10.129 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.217 24.237 9.359 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.178 24.642 10.801 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.715 25.184 9.193 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.078 22.578 7.704 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.581 23.517 7.535 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.653 21.792 7.967 1.00 12.45 H new ATOM 528 N SER A 33 28.256 22.154 11.479 1.00 16.31 N ATOM 529 CA SER A 33 29.724 22.024 11.304 1.00 18.98 C ATOM 530 C SER A 33 30.066 20.546 11.111 1.00 18.49 C ATOM 531 O SER A 33 31.086 20.199 10.549 1.00 21.34 O ATOM 532 CB SER A 33 30.433 22.558 12.545 1.00 19.20 C ATOM 533 OG SER A 33 29.788 22.049 13.702 1.00 24.11 O ATOM 0 H SER A 33 27.951 22.499 12.389 1.00 16.31 H new ATOM 0 HA SER A 33 30.049 22.595 10.434 1.00 18.98 H new ATOM 0 HB2 SER A 33 31.481 22.260 12.537 1.00 19.20 H new ATOM 0 HB3 SER A 33 30.412 23.648 12.551 1.00 19.20 H new ATOM 0 HG SER A 33 29.195 21.312 13.448 1.00 24.11 H new ATOM 539 N GLN A 34 29.215 19.673 11.578 1.00 20.00 N ATOM 540 CA GLN A 34 29.477 18.218 11.431 1.00 24.71 C ATOM 541 C GLN A 34 28.810 17.690 10.155 1.00 23.33 C ATOM 542 O GLN A 34 28.921 16.527 9.829 1.00 26.27 O ATOM 543 CB GLN A 34 28.912 17.487 12.648 1.00 28.15 C ATOM 544 CG GLN A 34 29.376 18.199 13.921 1.00 37.01 C ATOM 545 CD GLN A 34 30.905 18.274 13.939 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.499 19.348 13.493 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 31.566 17.347 14.363 1.00 41.20 N flip ATOM 0 H GLN A 34 28.346 19.909 12.057 1.00 20.00 H new ATOM 0 HA GLN A 34 30.551 18.046 11.362 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.823 17.469 12.603 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.248 16.450 12.653 1.00 28.15 H new ATOM 0 HG2 GLN A 34 28.952 19.202 13.964 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.018 17.664 14.800 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.103 16.508 14.712 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.584 17.408 14.370 1.00 41.20 H new ATOM 556 N LEU A 35 28.120 18.529 9.425 1.00 19.63 N ATOM 557 CA LEU A 35 27.461 18.051 8.180 1.00 15.93 C ATOM 558 C LEU A 35 28.449 18.183 7.008 1.00 13.36 C ATOM 559 O LEU A 35 29.019 19.237 6.813 1.00 16.12 O ATOM 560 CB LEU A 35 26.220 18.913 7.901 1.00 13.69 C ATOM 561 CG LEU A 35 25.021 18.428 8.733 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.803 19.303 8.421 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.690 16.965 8.392 1.00 16.28 C ATOM 0 H LEU A 35 27.987 19.518 9.638 1.00 19.63 H new ATOM 0 HA LEU A 35 27.162 17.009 8.294 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.435 19.955 8.137 1.00 13.69 H new ATOM 0 HB3 LEU A 35 25.973 18.871 6.840 1.00 13.69 H new ATOM 0 HG LEU A 35 25.274 18.499 9.791 1.00 11.57 H new ATOM 0 HD11 LEU A 35 22.950 18.963 9.009 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.026 20.340 8.672 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.565 19.230 7.360 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.839 16.636 8.989 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.443 16.885 7.333 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.553 16.336 8.612 1.00 16.28 H new ATOM 575 N PRO A 36 28.633 17.113 6.258 1.00 16.38 N ATOM 576 CA PRO A 36 29.556 17.122 5.111 1.00 17.59 C ATOM 577 C PRO A 36 29.000 18.029 4.013 1.00 19.11 C ATOM 578 O PRO A 36 28.612 17.581 2.952 1.00 21.54 O ATOM 579 CB PRO A 36 29.608 15.664 4.640 1.00 16.71 C ATOM 580 CG PRO A 36 28.459 14.916 5.353 1.00 16.59 C ATOM 581 CD PRO A 36 27.951 15.823 6.481 1.00 15.74 C ATOM 0 HA PRO A 36 30.547 17.499 5.366 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.493 15.604 3.558 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.570 15.214 4.884 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.656 14.689 4.652 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.811 13.965 5.754 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.868 15.935 6.442 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.193 15.411 7.461 1.00 15.74 H new ATOM 589 N ILE A 37 28.961 19.301 4.265 1.00 0.00 N ATOM 590 CA ILE A 37 28.436 20.250 3.246 1.00 0.00 C ATOM 591 C ILE A 37 29.529 20.522 2.217 1.00 0.00 C ATOM 592 O ILE A 37 30.705 20.485 2.523 1.00 0.00 O ATOM 593 CB ILE A 37 28.027 21.561 3.922 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.838 21.288 4.864 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.649 22.594 2.847 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.507 21.423 4.114 1.00 0.00 C ATOM 0 H ILE A 37 29.271 19.730 5.137 1.00 0.00 H new ATOM 0 HA ILE A 37 27.564 19.818 2.755 1.00 0.00 H new ATOM 0 HB ILE A 37 28.855 21.961 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.924 20.286 5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.862 21.987 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.357 23.528 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.505 22.772 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.816 22.215 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.682 21.226 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.415 22.433 3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.477 20.706 3.294 1.00 0.00 H new ATOM 608 N LYS A 38 29.150 20.777 0.998 1.00 12.68 N ATOM 609 CA LYS A 38 30.163 21.034 -0.057 1.00 12.78 C ATOM 610 C LYS A 38 31.116 22.148 0.383 1.00 14.66 C ATOM 611 O LYS A 38 31.158 22.527 1.535 1.00 13.94 O ATOM 612 CB LYS A 38 29.456 21.438 -1.350 1.00 11.68 C ATOM 613 CG LYS A 38 28.510 20.313 -1.797 1.00 12.28 C ATOM 614 CD LYS A 38 28.425 20.293 -3.327 1.00 13.74 C ATOM 615 CE LYS A 38 27.601 19.089 -3.782 1.00 20.88 C ATOM 616 NZ LYS A 38 27.666 18.977 -5.267 1.00 29.41 N ATOM 0 H LYS A 38 28.179 20.818 0.687 1.00 12.68 H new ATOM 0 HA LYS A 38 30.742 20.126 -0.225 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.894 22.359 -1.196 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.191 21.640 -2.130 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.871 19.352 -1.430 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.519 20.465 -1.369 1.00 12.28 H new ATOM 0 HD2 LYS A 38 27.969 21.215 -3.687 1.00 13.74 H new ATOM 0 HD3 LYS A 38 29.426 20.244 -3.756 1.00 13.74 H new ATOM 0 HE2 LYS A 38 27.982 18.178 -3.321 1.00 20.88 H new ATOM 0 HE3 LYS A 38 26.566 19.200 -3.460 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 27.106 18.158 -5.578 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 27.283 19.843 -5.698 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 28.655 18.852 -5.563 1.00 29.41 H new ATOM 630 N GLN A 39 31.895 22.654 -0.536 1.00 0.00 N ATOM 631 CA GLN A 39 32.876 23.731 -0.207 1.00 0.00 C ATOM 632 C GLN A 39 32.201 24.907 0.510 1.00 0.00 C ATOM 633 O GLN A 39 31.449 24.737 1.448 1.00 0.00 O ATOM 634 CB GLN A 39 33.525 24.228 -1.499 1.00 0.00 C ATOM 635 CG GLN A 39 34.132 23.042 -2.249 1.00 0.00 C ATOM 636 CD GLN A 39 35.257 22.433 -1.410 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.151 21.311 -0.954 1.00 0.00 O ATOM 638 NE2 GLN A 39 36.334 23.132 -1.180 1.00 0.00 N ATOM 0 H GLN A 39 31.893 22.363 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 39 33.629 23.316 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.784 24.727 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.297 24.963 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 39 33.366 22.293 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 39 34.519 23.367 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.422 24.073 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.088 22.737 -0.617 1.00 0.00 H new ATOM 647 N GLY A 40 32.493 26.106 0.080 1.00 11.96 N ATOM 648 CA GLY A 40 31.906 27.310 0.733 1.00 8.67 C ATOM 649 C GLY A 40 30.394 27.346 0.529 1.00 10.51 C ATOM 650 O GLY A 40 29.838 28.340 0.107 1.00 15.27 O ATOM 0 H GLY A 40 33.118 26.303 -0.702 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.135 27.301 1.799 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.356 28.212 0.318 1.00 8.67 H new ATOM 654 N LEU A 41 29.725 26.276 0.844 1.00 8.78 N ATOM 655 CA LEU A 41 28.238 26.246 0.690 1.00 6.78 C ATOM 656 C LEU A 41 27.602 26.520 2.048 1.00 7.45 C ATOM 657 O LEU A 41 26.512 27.050 2.148 1.00 2.18 O ATOM 658 CB LEU A 41 27.802 24.856 0.204 1.00 6.98 C ATOM 659 CG LEU A 41 26.945 24.971 -1.061 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.856 25.133 -2.280 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.095 23.705 -1.215 1.00 6.68 C ATOM 0 H LEU A 41 30.140 25.416 1.203 1.00 8.78 H new ATOM 0 HA LEU A 41 27.925 26.999 -0.033 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.681 24.244 0.000 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.237 24.351 0.988 1.00 6.98 H new ATOM 0 HG LEU A 41 26.290 25.839 -0.983 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.248 25.215 -3.181 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.459 26.034 -2.166 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.511 24.266 -2.362 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.484 23.784 -2.114 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.748 22.836 -1.295 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.448 23.593 -0.345 1.00 6.68 H new ATOM 673 N LEU A 42 28.286 26.164 3.092 1.00 7.13 N ATOM 674 CA LEU A 42 27.748 26.392 4.456 1.00 6.20 C ATOM 675 C LEU A 42 28.344 27.683 5.004 1.00 5.03 C ATOM 676 O LEU A 42 29.538 27.900 4.948 1.00 5.38 O ATOM 677 CB LEU A 42 28.148 25.217 5.347 1.00 3.82 C ATOM 678 CG LEU A 42 27.706 25.471 6.789 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.182 25.626 6.845 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.135 24.284 7.655 1.00 2.48 C ATOM 0 H LEU A 42 29.204 25.720 3.059 1.00 7.13 H new ATOM 0 HA LEU A 42 26.661 26.473 4.431 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.693 24.299 4.976 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.228 25.075 5.310 1.00 3.82 H new ATOM 0 HG LEU A 42 28.169 26.386 7.160 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.872 25.807 7.874 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.879 26.467 6.222 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.710 24.714 6.479 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.825 24.455 8.686 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.667 23.373 7.281 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.219 24.178 7.615 1.00 2.48 H new ATOM 692 N GLU A 43 27.522 28.551 5.522 1.00 5.92 N ATOM 693 CA GLU A 43 28.042 29.836 6.060 1.00 7.54 C ATOM 694 C GLU A 43 27.290 30.207 7.339 1.00 6.00 C ATOM 695 O GLU A 43 26.304 29.593 7.701 1.00 4.97 O ATOM 696 CB GLU A 43 27.839 30.937 5.009 1.00 8.77 C ATOM 697 CG GLU A 43 28.950 31.990 5.124 1.00 16.17 C ATOM 698 CD GLU A 43 30.161 31.553 4.298 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.185 31.848 3.115 1.00 19.19 O ATOM 700 OE2 GLU A 43 31.045 30.929 4.863 1.00 22.03 O ATOM 0 H GLU A 43 26.512 28.426 5.596 1.00 5.92 H new ATOM 0 HA GLU A 43 29.103 29.732 6.289 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.843 30.501 4.010 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.866 31.408 5.148 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.587 32.956 4.772 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.237 32.118 6.168 1.00 16.17 H new ATOM 707 N PHE A 44 27.749 31.224 8.011 1.00 7.78 N ATOM 708 CA PHE A 44 27.085 31.684 9.260 1.00 9.60 C ATOM 709 C PHE A 44 26.973 33.207 9.179 1.00 6.71 C ATOM 710 O PHE A 44 27.958 33.918 9.227 1.00 6.85 O ATOM 711 CB PHE A 44 27.927 31.270 10.470 1.00 12.09 C ATOM 712 CG PHE A 44 28.317 29.816 10.327 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.407 28.808 10.672 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.586 29.475 9.844 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.768 27.463 10.535 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.946 28.130 9.707 1.00 16.33 C ATOM 717 CZ PHE A 44 29.037 27.124 10.053 1.00 10.85 C ATOM 0 H PHE A 44 28.571 31.765 7.742 1.00 7.78 H new ATOM 0 HA PHE A 44 26.096 31.238 9.370 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.818 31.893 10.539 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.362 31.419 11.390 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.427 29.069 11.044 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.288 30.251 9.577 1.00 15.90 H new ATOM 0 HE1 PHE A 44 27.067 26.686 10.801 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.925 27.868 9.334 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.315 26.086 9.948 1.00 10.85 H new ATOM 727 N VAL A 45 25.782 33.710 9.001 1.00 6.10 N ATOM 728 CA VAL A 45 25.602 35.183 8.850 1.00 6.58 C ATOM 729 C VAL A 45 25.272 35.850 10.190 1.00 6.12 C ATOM 730 O VAL A 45 24.151 35.814 10.657 1.00 5.14 O ATOM 731 CB VAL A 45 24.460 35.430 7.862 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.104 36.918 7.840 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.896 34.988 6.464 1.00 2.33 C ATOM 0 H VAL A 45 24.923 33.163 8.953 1.00 6.10 H new ATOM 0 HA VAL A 45 26.533 35.616 8.485 1.00 6.58 H new ATOM 0 HB VAL A 45 23.585 34.858 8.172 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.290 37.087 7.135 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.792 37.232 8.836 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.976 37.496 7.534 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.084 35.163 5.758 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.772 35.560 6.158 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.142 33.926 6.478 1.00 2.33 H new ATOM 743 N ASP A 46 26.242 36.486 10.790 1.00 6.79 N ATOM 744 CA ASP A 46 26.000 37.191 12.079 1.00 6.49 C ATOM 745 C ASP A 46 25.365 38.554 11.780 1.00 9.11 C ATOM 746 O ASP A 46 26.043 39.507 11.455 1.00 7.52 O ATOM 747 CB ASP A 46 27.334 37.387 12.800 1.00 7.84 C ATOM 748 CG ASP A 46 28.124 36.077 12.773 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.584 35.092 12.298 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.255 36.082 13.230 1.00 15.32 O ATOM 0 H ASP A 46 27.198 36.547 10.439 1.00 6.79 H new ATOM 0 HA ASP A 46 25.333 36.606 12.712 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.907 38.180 12.319 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.161 37.699 13.830 1.00 7.84 H new ATOM 755 N ILE A 47 24.067 38.646 11.870 1.00 8.21 N ATOM 756 CA ILE A 47 23.381 39.937 11.570 1.00 8.33 C ATOM 757 C ILE A 47 23.833 41.032 12.540 1.00 10.92 C ATOM 758 O ILE A 47 23.369 42.154 12.475 1.00 9.40 O ATOM 759 CB ILE A 47 21.870 39.744 11.684 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.531 39.133 13.045 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.401 38.803 10.576 1.00 3.40 C ATOM 762 CD1 ILE A 47 20.015 39.150 13.243 1.00 7.93 C ATOM 0 H ILE A 47 23.449 37.881 12.139 1.00 8.21 H new ATOM 0 HA ILE A 47 23.642 40.245 10.557 1.00 8.33 H new ATOM 0 HB ILE A 47 21.371 40.708 11.587 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.905 38.111 13.101 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.020 39.695 13.841 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.323 38.661 10.652 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.643 39.235 9.605 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.902 37.841 10.680 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.770 38.715 14.212 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.655 40.178 13.205 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.538 38.569 12.454 1.00 7.93 H new ATOM 774 N THR A 48 24.733 40.729 13.434 1.00 13.41 N ATOM 775 CA THR A 48 25.202 41.771 14.392 1.00 16.67 C ATOM 776 C THR A 48 26.485 42.403 13.852 1.00 16.58 C ATOM 777 O THR A 48 26.784 43.551 14.115 1.00 18.03 O ATOM 778 CB THR A 48 25.484 41.129 15.753 1.00 15.80 C ATOM 779 OG1 THR A 48 26.752 40.490 15.721 1.00 21.06 O ATOM 780 CG2 THR A 48 24.398 40.101 16.073 1.00 21.72 C ATOM 0 H THR A 48 25.163 39.810 13.543 1.00 13.41 H new ATOM 0 HA THR A 48 24.433 42.535 14.508 1.00 16.67 H new ATOM 0 HB THR A 48 25.486 41.900 16.523 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.934 40.080 16.592 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.602 39.646 17.042 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.427 40.595 16.101 1.00 21.72 H new ATOM 0 HG23 THR A 48 24.390 39.328 15.304 1.00 21.72 H new ATOM 788 N ALA A 49 27.238 41.663 13.087 1.00 15.36 N ATOM 789 CA ALA A 49 28.497 42.215 12.514 1.00 18.08 C ATOM 790 C ALA A 49 28.164 43.087 11.304 1.00 20.63 C ATOM 791 O ALA A 49 29.005 43.347 10.465 1.00 22.45 O ATOM 792 CB ALA A 49 29.404 41.064 12.075 1.00 18.76 C ATOM 0 H ALA A 49 27.035 40.696 12.833 1.00 15.36 H new ATOM 0 HA ALA A 49 29.008 42.815 13.267 1.00 18.08 H new ATOM 0 HB1 ALA A 49 30.326 41.467 11.655 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.640 40.438 12.936 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.893 40.466 11.321 1.00 18.76 H new ATOM 798 N THR A 50 26.942 43.533 11.197 1.00 22.30 N ATOM 799 CA THR A 50 26.557 44.378 10.031 1.00 25.27 C ATOM 800 C THR A 50 25.561 45.450 10.470 1.00 24.34 C ATOM 801 O THR A 50 25.114 46.247 9.674 1.00 25.49 O ATOM 802 CB THR A 50 25.904 43.496 8.959 1.00 22.85 C ATOM 803 OG1 THR A 50 25.713 44.254 7.772 1.00 23.28 O ATOM 804 CG2 THR A 50 24.551 42.986 9.463 1.00 25.63 C ATOM 0 H THR A 50 26.194 43.349 11.866 1.00 22.30 H new ATOM 0 HA THR A 50 27.449 44.857 9.627 1.00 25.27 H new ATOM 0 HB THR A 50 26.553 42.646 8.748 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.543 45.190 8.006 1.00 23.28 H new ATOM 0 HG21 THR A 50 24.090 42.360 8.699 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.698 42.401 10.371 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.900 43.833 9.679 1.00 25.63 H new ATOM 812 N ASN A 51 25.197 45.474 11.723 1.00 0.00 N ATOM 813 CA ASN A 51 24.219 46.495 12.187 1.00 0.00 C ATOM 814 C ASN A 51 22.878 46.212 11.504 1.00 0.00 C ATOM 815 O ASN A 51 22.721 45.205 10.844 1.00 0.00 O ATOM 816 CB ASN A 51 24.739 47.905 11.843 1.00 0.00 C ATOM 817 CG ASN A 51 24.048 48.454 10.588 1.00 0.00 C ATOM 818 OD1 ASN A 51 22.882 49.029 10.697 1.00 0.00 O flip ATOM 819 ND2 ASN A 51 24.579 48.368 9.499 1.00 0.00 N flip ATOM 0 H ASN A 51 25.533 44.833 12.442 1.00 0.00 H new ATOM 0 HA ASN A 51 24.088 46.447 13.268 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.563 48.577 12.683 1.00 0.00 H new ATOM 0 HB3 ASN A 51 25.817 47.870 11.684 1.00 0.00 H new ATOM 0 HD21 ASN A 51 25.491 47.919 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 51 24.113 48.745 8.673 1.00 0.00 H new ATOM 826 N HIS A 52 21.907 47.072 11.649 1.00 0.00 N ATOM 827 CA HIS A 52 20.596 46.799 10.990 1.00 0.00 C ATOM 828 C HIS A 52 20.052 45.482 11.545 1.00 0.00 C ATOM 829 O HIS A 52 19.106 44.918 11.036 1.00 0.00 O ATOM 830 CB HIS A 52 20.820 46.660 9.474 1.00 0.00 C ATOM 831 CG HIS A 52 20.061 47.725 8.727 1.00 0.00 C ATOM 832 ND1 HIS A 52 19.350 47.447 7.568 1.00 0.00 N ATOM 833 CD2 HIS A 52 19.910 49.072 8.944 1.00 0.00 C ATOM 834 CE1 HIS A 52 18.810 48.600 7.137 1.00 0.00 C ATOM 835 NE2 HIS A 52 19.120 49.623 7.939 1.00 0.00 N ATOM 0 H HIS A 52 21.961 47.938 12.185 1.00 0.00 H new ATOM 0 HA HIS A 52 19.892 47.609 11.180 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.884 46.738 9.249 1.00 0.00 H new ATOM 0 HB3 HIS A 52 20.496 45.674 9.142 1.00 0.00 H new ATOM 0 HD2 HIS A 52 20.339 49.621 9.769 1.00 0.00 H new ATOM 0 HE1 HIS A 52 18.200 48.689 6.250 1.00 0.00 H new ATOM 0 HE2 HIS A 52 18.838 50.598 7.837 1.00 0.00 H new ATOM 843 N THR A 53 20.674 44.985 12.576 1.00 18.27 N ATOM 844 CA THR A 53 20.253 43.687 13.182 1.00 16.01 C ATOM 845 C THR A 53 18.731 43.505 13.121 1.00 16.57 C ATOM 846 O THR A 53 18.230 42.646 12.424 1.00 18.87 O ATOM 847 CB THR A 53 20.707 43.652 14.647 1.00 15.02 C ATOM 848 OG1 THR A 53 21.811 44.530 14.820 1.00 13.32 O ATOM 849 CG2 THR A 53 21.122 42.229 15.020 1.00 9.59 C ATOM 0 H THR A 53 21.470 45.429 13.034 1.00 18.27 H new ATOM 0 HA THR A 53 20.714 42.878 12.616 1.00 16.01 H new ATOM 0 HB THR A 53 19.886 43.969 15.290 1.00 15.02 H new ATOM 0 HG1 THR A 53 22.101 44.510 15.756 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.444 42.205 16.061 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.275 41.556 14.887 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.943 41.910 14.378 1.00 9.59 H new ATOM 857 N ASN A 54 17.995 44.280 13.867 1.00 13.94 N ATOM 858 CA ASN A 54 16.511 44.123 13.878 1.00 18.93 C ATOM 859 C ASN A 54 15.938 44.234 12.465 1.00 16.34 C ATOM 860 O ASN A 54 14.921 43.644 12.158 1.00 15.61 O ATOM 861 CB ASN A 54 15.894 45.207 14.762 1.00 24.12 C ATOM 862 CG ASN A 54 16.237 44.923 16.225 1.00 35.27 C ATOM 863 OD1 ASN A 54 17.082 43.971 16.507 1.00 45.21 O flip ATOM 864 ND2 ASN A 54 15.729 45.571 17.118 1.00 37.58 N flip ATOM 0 H ASN A 54 18.356 45.018 14.472 1.00 13.94 H new ATOM 0 HA ASN A 54 16.270 43.135 14.272 1.00 18.93 H new ATOM 0 HB2 ASN A 54 16.272 46.187 14.472 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.813 45.230 14.628 1.00 24.12 H new ATOM 0 HD21 ASN A 54 15.068 46.315 16.896 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.963 45.371 18.090 1.00 37.58 H new ATOM 871 N GLU A 55 16.561 44.981 11.601 1.00 16.09 N ATOM 872 CA GLU A 55 16.015 45.109 10.221 1.00 15.04 C ATOM 873 C GLU A 55 16.073 43.752 9.514 1.00 15.56 C ATOM 874 O GLU A 55 15.139 43.360 8.844 1.00 18.95 O ATOM 875 CB GLU A 55 16.820 46.151 9.444 1.00 18.55 C ATOM 876 CG GLU A 55 16.763 47.490 10.195 1.00 23.55 C ATOM 877 CD GLU A 55 16.875 48.655 9.211 1.00 30.41 C ATOM 878 OE1 GLU A 55 16.398 48.516 8.096 1.00 31.49 O ATOM 879 OE2 GLU A 55 17.430 49.671 9.593 1.00 33.02 O ATOM 0 H GLU A 55 17.417 45.505 11.786 1.00 16.09 H new ATOM 0 HA GLU A 55 14.976 45.433 10.270 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.854 45.824 9.336 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.415 46.266 8.438 1.00 18.55 H new ATOM 0 HG2 GLU A 55 15.828 47.563 10.751 1.00 23.55 H new ATOM 0 HG3 GLU A 55 17.572 47.541 10.923 1.00 23.55 H new ATOM 886 N ILE A 56 17.146 43.019 9.662 1.00 9.56 N ATOM 887 CA ILE A 56 17.219 41.687 8.998 1.00 8.91 C ATOM 888 C ILE A 56 16.201 40.747 9.645 1.00 7.70 C ATOM 889 O ILE A 56 15.382 40.158 8.971 1.00 9.84 O ATOM 890 CB ILE A 56 18.625 41.099 9.143 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.578 41.792 8.153 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.579 39.594 8.847 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.263 42.972 8.839 1.00 8.03 C ATOM 0 H ILE A 56 17.966 43.283 10.208 1.00 9.56 H new ATOM 0 HA ILE A 56 16.995 41.802 7.938 1.00 8.91 H new ATOM 0 HB ILE A 56 18.984 41.259 10.160 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.325 41.083 7.795 1.00 6.47 H new ATOM 0 HG13 ILE A 56 19.023 42.138 7.281 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.579 39.172 8.949 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.905 39.105 9.551 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.220 39.434 7.830 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.937 43.461 8.135 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.510 43.685 9.175 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.832 42.614 9.697 1.00 8.03 H new ATOM 905 N GLN A 57 16.232 40.609 10.946 1.00 7.49 N ATOM 906 CA GLN A 57 15.245 39.708 11.606 1.00 6.88 C ATOM 907 C GLN A 57 13.861 40.174 11.205 1.00 9.50 C ATOM 908 O GLN A 57 12.998 39.392 10.863 1.00 11.03 O ATOM 909 CB GLN A 57 15.369 39.804 13.125 1.00 11.02 C ATOM 910 CG GLN A 57 16.839 39.950 13.511 1.00 12.13 C ATOM 911 CD GLN A 57 17.080 39.261 14.856 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.104 38.049 14.934 1.00 17.49 O ATOM 913 NE2 GLN A 57 17.258 39.986 15.925 1.00 17.84 N ATOM 0 H GLN A 57 16.889 41.075 11.571 1.00 7.49 H new ATOM 0 HA GLN A 57 15.425 38.677 11.302 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.799 40.657 13.493 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.947 38.914 13.591 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.474 39.507 12.744 1.00 12.13 H new ATOM 0 HG3 GLN A 57 17.107 41.005 13.577 1.00 12.13 H new ATOM 0 HE21 GLN A 57 17.238 41.004 15.860 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.417 39.535 16.826 1.00 17.84 H new ATOM 922 N ASP A 58 13.655 41.459 11.217 1.00 13.48 N ATOM 923 CA ASP A 58 12.339 41.991 10.805 1.00 13.94 C ATOM 924 C ASP A 58 12.044 41.428 9.420 1.00 13.32 C ATOM 925 O ASP A 58 10.918 41.128 9.077 1.00 14.28 O ATOM 926 CB ASP A 58 12.409 43.517 10.745 1.00 12.80 C ATOM 927 CG ASP A 58 12.257 44.095 12.154 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.420 43.597 12.890 1.00 15.13 O ATOM 929 OD2 ASP A 58 12.981 45.023 12.473 1.00 18.84 O ATOM 0 H ASP A 58 14.343 42.159 11.495 1.00 13.48 H new ATOM 0 HA ASP A 58 11.557 41.708 11.510 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.359 43.831 10.313 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.622 43.902 10.097 1.00 12.80 H new ATOM 934 N TYR A 59 13.069 41.255 8.631 1.00 12.69 N ATOM 935 CA TYR A 59 12.870 40.677 7.275 1.00 10.10 C ATOM 936 C TYR A 59 12.707 39.161 7.402 1.00 7.75 C ATOM 937 O TYR A 59 11.818 38.574 6.817 1.00 5.81 O ATOM 938 CB TYR A 59 14.069 40.991 6.382 1.00 12.40 C ATOM 939 CG TYR A 59 13.717 40.651 4.954 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.938 39.357 4.469 1.00 6.81 C ATOM 941 CD2 TYR A 59 13.164 41.627 4.117 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.606 39.038 3.147 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.831 41.309 2.795 1.00 8.47 C ATOM 944 CZ TYR A 59 13.053 40.014 2.310 1.00 9.37 C ATOM 945 OH TYR A 59 12.725 39.700 1.007 1.00 12.99 O ATOM 0 H TYR A 59 14.033 41.489 8.867 1.00 12.69 H new ATOM 0 HA TYR A 59 11.978 41.113 6.825 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.334 42.045 6.464 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.939 40.417 6.703 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.365 38.604 5.115 1.00 6.81 H new ATOM 0 HD2 TYR A 59 12.994 42.626 4.491 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.777 38.039 2.773 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.403 42.062 2.150 1.00 8.47 H new ATOM 0 HH TYR A 59 12.351 40.490 0.564 1.00 12.99 H new ATOM 955 N LEU A 60 13.549 38.518 8.174 1.00 10.71 N ATOM 956 CA LEU A 60 13.417 37.042 8.338 1.00 11.04 C ATOM 957 C LEU A 60 11.988 36.745 8.768 1.00 10.32 C ATOM 958 O LEU A 60 11.409 35.736 8.417 1.00 14.61 O ATOM 959 CB LEU A 60 14.378 36.536 9.421 1.00 7.24 C ATOM 960 CG LEU A 60 15.819 36.930 9.086 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.765 36.324 10.128 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.190 36.411 7.693 1.00 7.23 C ATOM 0 H LEU A 60 14.314 38.949 8.692 1.00 10.71 H new ATOM 0 HA LEU A 60 13.657 36.545 7.398 1.00 11.04 H new ATOM 0 HB2 LEU A 60 14.097 36.952 10.388 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.301 35.452 9.506 1.00 7.24 H new ATOM 0 HG LEU A 60 15.908 38.016 9.097 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.792 36.603 9.893 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.505 36.700 11.118 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.672 35.238 10.116 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.216 36.695 7.461 1.00 7.23 H new ATOM 0 HD22 LEU A 60 16.100 35.325 7.674 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.517 36.844 6.952 1.00 7.23 H new ATOM 974 N GLN A 61 11.419 37.633 9.527 1.00 10.78 N ATOM 975 CA GLN A 61 10.026 37.447 9.995 1.00 11.72 C ATOM 976 C GLN A 61 9.088 37.374 8.787 1.00 14.05 C ATOM 977 O GLN A 61 8.368 36.414 8.604 1.00 14.24 O ATOM 978 CB GLN A 61 9.651 38.646 10.869 1.00 17.47 C ATOM 979 CG GLN A 61 8.250 38.455 11.447 1.00 25.06 C ATOM 980 CD GLN A 61 8.330 37.629 12.732 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.373 37.105 13.067 1.00 40.45 O ATOM 982 NE2 GLN A 61 7.263 37.490 13.470 1.00 30.05 N ATOM 0 H GLN A 61 11.868 38.491 9.847 1.00 10.78 H new ATOM 0 HA GLN A 61 9.937 36.524 10.567 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.374 38.758 11.677 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.688 39.562 10.279 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.796 39.424 11.654 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.612 37.953 10.720 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.387 37.930 13.188 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.305 36.941 14.329 1.00 30.05 H new ATOM 991 N GLN A 62 9.086 38.386 7.964 1.00 15.71 N ATOM 992 CA GLN A 62 8.189 38.380 6.773 1.00 18.54 C ATOM 993 C GLN A 62 8.639 37.301 5.784 1.00 19.36 C ATOM 994 O GLN A 62 7.832 36.675 5.126 1.00 19.52 O ATOM 995 CB GLN A 62 8.249 39.747 6.089 1.00 25.59 C ATOM 996 CG GLN A 62 7.163 39.834 5.014 1.00 34.08 C ATOM 997 CD GLN A 62 7.095 41.265 4.476 1.00 38.28 C ATOM 998 OE1 GLN A 62 8.070 41.987 4.518 1.00 41.81 O ATOM 999 NE2 GLN A 62 5.977 41.708 3.970 1.00 36.81 N ATOM 0 H GLN A 62 9.667 39.218 8.065 1.00 15.71 H new ATOM 0 HA GLN A 62 7.169 38.169 7.094 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.110 40.539 6.825 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.231 39.897 5.641 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.382 39.139 4.203 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.199 39.544 5.431 1.00 34.08 H new ATOM 0 HE21 GLN A 62 5.158 41.102 3.935 1.00 36.81 H new ATOM 0 HE22 GLN A 62 5.922 42.661 3.610 1.00 36.81 H new ATOM 1008 N LEU A 63 9.920 37.081 5.667 1.00 17.09 N ATOM 1009 CA LEU A 63 10.416 36.048 4.710 1.00 16.00 C ATOM 1010 C LEU A 63 9.951 34.662 5.151 1.00 11.34 C ATOM 1011 O LEU A 63 9.445 33.885 4.365 1.00 10.68 O ATOM 1012 CB LEU A 63 11.946 36.081 4.664 1.00 19.91 C ATOM 1013 CG LEU A 63 12.458 35.041 3.658 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.049 35.442 2.236 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.984 34.957 3.747 1.00 19.51 C ATOM 0 H LEU A 63 10.645 37.571 6.192 1.00 17.09 H new ATOM 0 HA LEU A 63 10.017 36.262 3.719 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.289 37.076 4.379 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.353 35.875 5.654 1.00 19.91 H new ATOM 0 HG LEU A 63 12.023 34.070 3.893 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.416 34.699 1.528 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.962 35.498 2.172 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.477 36.415 1.995 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.350 34.219 3.033 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.416 35.931 3.516 1.00 19.51 H new ATOM 0 HD23 LEU A 63 14.274 34.662 4.755 1.00 19.51 H new ATOM 1027 N THR A 64 10.129 34.346 6.401 1.00 10.04 N ATOM 1028 CA THR A 64 9.712 33.005 6.910 1.00 8.87 C ATOM 1029 C THR A 64 8.517 33.169 7.849 1.00 10.75 C ATOM 1030 O THR A 64 7.443 32.661 7.595 1.00 11.38 O ATOM 1031 CB THR A 64 10.876 32.365 7.674 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.810 32.747 9.041 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.203 32.835 7.075 1.00 6.96 C ATOM 0 H THR A 64 10.548 34.960 7.099 1.00 10.04 H new ATOM 0 HA THR A 64 9.433 32.367 6.071 1.00 8.87 H new ATOM 0 HB THR A 64 10.809 31.280 7.595 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.600 33.280 9.270 1.00 6.36 H new ATOM 0 HG21 THR A 64 13.030 32.379 7.620 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.253 32.541 6.026 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.273 33.920 7.152 1.00 6.96 H new ATOM 1041 N GLY A 65 8.691 33.875 8.932 1.00 10.19 N ATOM 1042 CA GLY A 65 7.559 34.069 9.882 1.00 13.28 C ATOM 1043 C GLY A 65 8.099 34.342 11.285 1.00 14.66 C ATOM 1044 O GLY A 65 7.686 35.271 11.949 1.00 14.79 O ATOM 0 H GLY A 65 9.566 34.325 9.200 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.936 34.901 9.554 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.926 33.182 9.893 1.00 13.28 H new ATOM 1048 N ALA A 66 9.012 33.532 11.747 1.00 12.02 N ATOM 1049 CA ALA A 66 9.574 33.733 13.115 1.00 9.85 C ATOM 1050 C ALA A 66 10.901 34.490 13.044 1.00 14.04 C ATOM 1051 O ALA A 66 11.725 34.257 12.181 1.00 17.81 O ATOM 1052 CB ALA A 66 9.806 32.371 13.774 1.00 13.74 C ATOM 0 H ALA A 66 9.395 32.737 11.235 1.00 12.02 H new ATOM 0 HA ALA A 66 8.865 34.317 13.702 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.217 32.516 14.773 1.00 13.74 H new ATOM 0 HB2 ALA A 66 8.860 31.835 13.845 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.507 31.791 13.174 1.00 13.74 H new ATOM 1058 N ARG A 67 11.114 35.383 13.971 1.00 15.81 N ATOM 1059 CA ARG A 67 12.384 36.160 14.012 1.00 16.07 C ATOM 1060 C ARG A 67 13.287 35.549 15.091 1.00 14.37 C ATOM 1061 O ARG A 67 13.962 36.243 15.826 1.00 14.43 O ATOM 1062 CB ARG A 67 12.064 37.618 14.365 1.00 15.97 C ATOM 1063 CG ARG A 67 11.114 37.674 15.578 1.00 17.12 C ATOM 1064 CD ARG A 67 11.777 38.440 16.723 1.00 22.31 C ATOM 1065 NE ARG A 67 12.144 39.806 16.262 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.428 40.730 17.135 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.380 40.456 18.410 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.755 41.928 16.733 1.00 21.50 N ATOM 0 H ARG A 67 10.451 35.610 14.713 1.00 15.81 H new ATOM 0 HA ARG A 67 12.888 36.127 13.046 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.985 38.156 14.589 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.605 38.115 13.510 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.180 38.160 15.297 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.863 36.664 15.902 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.098 38.502 17.574 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.666 37.909 17.063 1.00 22.31 H new ATOM 0 HE ARG A 67 12.173 40.018 15.265 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.121 39.520 18.721 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.602 41.178 19.095 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.788 42.140 15.736 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.978 42.652 17.416 1.00 21.50 H new ATOM 1082 N THR A 68 13.270 34.247 15.208 1.00 13.52 N ATOM 1083 CA THR A 68 14.082 33.561 16.257 1.00 14.97 C ATOM 1084 C THR A 68 15.518 33.305 15.787 1.00 12.85 C ATOM 1085 O THR A 68 15.834 33.358 14.615 1.00 10.80 O ATOM 1086 CB THR A 68 13.415 32.217 16.582 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.279 32.053 15.749 1.00 18.26 O ATOM 1088 CG2 THR A 68 12.978 32.179 18.049 1.00 14.06 C ATOM 0 H THR A 68 12.722 33.623 14.615 1.00 13.52 H new ATOM 0 HA THR A 68 14.127 34.204 17.136 1.00 14.97 H new ATOM 0 HB THR A 68 14.129 31.412 16.408 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.848 31.196 15.949 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.507 31.220 18.264 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.849 32.307 18.692 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.266 32.983 18.238 1.00 14.06 H new ATOM 1096 N VAL A 69 16.376 32.987 16.722 1.00 8.20 N ATOM 1097 CA VAL A 69 17.796 32.673 16.401 1.00 5.92 C ATOM 1098 C VAL A 69 18.027 31.201 16.760 1.00 5.25 C ATOM 1099 O VAL A 69 17.665 30.789 17.838 1.00 5.78 O ATOM 1100 CB VAL A 69 18.716 33.547 17.263 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.119 33.574 16.667 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.167 34.971 17.324 1.00 4.08 C ATOM 0 H VAL A 69 16.145 32.931 17.714 1.00 8.20 H new ATOM 0 HA VAL A 69 18.007 32.860 15.348 1.00 5.92 H new ATOM 0 HB VAL A 69 18.759 33.128 18.268 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.765 34.197 17.286 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.518 32.560 16.631 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.078 33.984 15.658 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.824 35.588 17.937 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.116 35.385 16.317 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.169 34.958 17.761 1.00 4.08 H new ATOM 1112 N PRO A 70 18.604 30.428 15.875 1.00 5.33 N ATOM 1113 CA PRO A 70 19.077 30.865 14.539 1.00 6.04 C ATOM 1114 C PRO A 70 17.926 31.026 13.537 1.00 7.79 C ATOM 1115 O PRO A 70 16.760 31.040 13.877 1.00 7.15 O ATOM 1116 CB PRO A 70 19.968 29.701 14.071 1.00 3.22 C ATOM 1117 CG PRO A 70 19.636 28.483 14.966 1.00 6.88 C ATOM 1118 CD PRO A 70 18.841 29.008 16.170 1.00 6.17 C ATOM 0 HA PRO A 70 19.578 31.832 14.597 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.781 29.470 13.022 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.022 29.965 14.156 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.054 27.746 14.412 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.549 27.987 15.295 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.902 28.467 16.290 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.401 28.885 17.097 1.00 6.17 H new ATOM 1126 N ARG A 71 18.295 31.106 12.288 1.00 6.15 N ATOM 1127 CA ARG A 71 17.321 31.221 11.171 1.00 7.10 C ATOM 1128 C ARG A 71 18.004 30.569 9.961 1.00 4.23 C ATOM 1129 O ARG A 71 18.745 31.202 9.235 1.00 6.47 O ATOM 1130 CB ARG A 71 17.012 32.701 10.893 1.00 10.23 C ATOM 1131 CG ARG A 71 15.569 33.025 11.294 1.00 15.67 C ATOM 1132 CD ARG A 71 14.586 32.203 10.448 1.00 20.29 C ATOM 1133 NE ARG A 71 13.735 31.383 11.355 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.649 30.819 10.903 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.313 30.962 9.652 1.00 22.60 N ATOM 1136 NH2 ARG A 71 11.901 30.112 11.706 1.00 23.53 N ATOM 0 H ARG A 71 19.270 31.096 11.988 1.00 6.15 H new ATOM 0 HA ARG A 71 16.373 30.735 11.401 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.703 33.335 11.449 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.161 32.919 9.835 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.420 32.807 12.352 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.376 34.089 11.157 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.965 32.864 9.844 1.00 20.29 H new ATOM 0 HD3 ARG A 71 15.130 31.559 9.758 1.00 20.29 H new ATOM 0 HE ARG A 71 14.002 31.262 12.332 1.00 26.05 H new ATOM 0 HH11 ARG A 71 12.899 31.515 9.026 1.00 22.60 H new ATOM 0 HH12 ARG A 71 11.464 30.521 9.298 1.00 22.60 H new ATOM 0 HH21 ARG A 71 12.166 30.001 12.685 1.00 23.53 H new ATOM 0 HH22 ARG A 71 11.051 29.670 11.355 1.00 23.53 H new ATOM 1150 N VAL A 72 17.809 29.288 9.790 1.00 4.55 N ATOM 1151 CA VAL A 72 18.497 28.550 8.685 1.00 6.53 C ATOM 1152 C VAL A 72 17.723 28.644 7.367 1.00 8.68 C ATOM 1153 O VAL A 72 16.532 28.882 7.343 1.00 6.48 O ATOM 1154 CB VAL A 72 18.621 27.081 9.091 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.253 26.284 7.947 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.500 26.979 10.343 1.00 3.35 C ATOM 0 H VAL A 72 17.198 28.715 10.372 1.00 4.55 H new ATOM 0 HA VAL A 72 19.477 29.000 8.526 1.00 6.53 H new ATOM 0 HB VAL A 72 17.633 26.673 9.305 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.341 25.237 8.238 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.626 26.363 7.059 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.243 26.684 7.728 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.593 25.934 10.638 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.489 27.384 10.127 1.00 3.35 H new ATOM 0 HG23 VAL A 72 19.044 27.546 11.155 1.00 3.35 H new ATOM 1166 N PHE A 73 18.414 28.460 6.264 1.00 5.39 N ATOM 1167 CA PHE A 73 17.748 28.539 4.929 1.00 6.90 C ATOM 1168 C PHE A 73 18.349 27.521 3.953 1.00 7.16 C ATOM 1169 O PHE A 73 19.273 27.834 3.230 1.00 14.07 O ATOM 1170 CB PHE A 73 17.969 29.928 4.332 1.00 6.44 C ATOM 1171 CG PHE A 73 17.067 30.932 5.001 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.488 31.589 6.160 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.810 31.212 4.452 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.652 32.527 6.773 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.973 32.149 5.066 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.394 32.806 6.227 1.00 7.54 C ATOM 0 H PHE A 73 19.413 28.258 6.235 1.00 5.39 H new ATOM 0 HA PHE A 73 16.688 28.332 5.073 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.011 30.224 4.457 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.770 29.907 3.260 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.458 31.372 6.582 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.487 30.705 3.555 1.00 12.42 H new ATOM 0 HE1 PHE A 73 16.977 33.036 7.668 1.00 6.98 H new ATOM 0 HE2 PHE A 73 14.003 32.365 4.644 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.748 33.529 6.702 1.00 7.54 H new ATOM 1186 N ILE A 74 17.815 26.334 3.869 1.00 5.91 N ATOM 1187 CA ILE A 74 18.365 25.373 2.871 1.00 7.08 C ATOM 1188 C ILE A 74 17.901 25.871 1.506 1.00 8.52 C ATOM 1189 O ILE A 74 16.717 25.934 1.237 1.00 6.64 O ATOM 1190 CB ILE A 74 17.816 23.967 3.125 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.737 23.720 4.635 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.735 22.929 2.473 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.099 23.980 5.282 1.00 9.34 C ATOM 0 H ILE A 74 17.038 25.992 4.435 1.00 5.91 H new ATOM 0 HA ILE A 74 19.452 25.318 2.934 1.00 7.08 H new ATOM 0 HB ILE A 74 16.820 23.879 2.692 1.00 6.37 H new ATOM 0 HG12 ILE A 74 16.984 24.372 5.079 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.424 22.694 4.828 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.342 21.929 2.656 1.00 4.80 H new ATOM 0 HG22 ILE A 74 18.783 23.109 1.399 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.735 23.009 2.900 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.032 23.802 6.355 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.842 23.310 4.848 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.395 25.014 5.104 1.00 9.34 H new ATOM 1205 N GLY A 75 18.799 26.288 0.660 1.00 9.27 N ATOM 1206 CA GLY A 75 18.343 26.843 -0.640 1.00 9.68 C ATOM 1207 C GLY A 75 17.476 28.055 -0.303 1.00 12.42 C ATOM 1208 O GLY A 75 17.625 28.642 0.751 1.00 11.15 O ATOM 0 H GLY A 75 19.808 26.270 0.808 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.192 27.131 -1.260 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.775 26.102 -1.202 1.00 9.68 H new ATOM 1212 N LYS A 76 16.566 28.439 -1.148 1.00 14.40 N ATOM 1213 CA LYS A 76 15.714 29.611 -0.797 1.00 16.68 C ATOM 1214 C LYS A 76 14.559 29.147 0.097 1.00 16.27 C ATOM 1215 O LYS A 76 13.737 29.934 0.525 1.00 14.00 O ATOM 1216 CB LYS A 76 15.158 30.250 -2.069 1.00 23.46 C ATOM 1217 CG LYS A 76 16.318 30.606 -3.003 1.00 30.10 C ATOM 1218 CD LYS A 76 15.833 31.583 -4.078 1.00 38.66 C ATOM 1219 CE LYS A 76 14.819 30.892 -5.002 1.00 42.17 C ATOM 1220 NZ LYS A 76 13.457 31.426 -4.724 1.00 44.86 N ATOM 0 H LYS A 76 16.374 28.004 -2.051 1.00 14.40 H new ATOM 0 HA LYS A 76 16.314 30.349 -0.264 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.473 29.563 -2.566 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.587 31.145 -1.821 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.133 31.052 -2.433 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.712 29.703 -3.469 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.375 32.454 -3.609 1.00 38.66 H new ATOM 0 HD3 LYS A 76 16.680 31.944 -4.661 1.00 38.66 H new ATOM 0 HE2 LYS A 76 15.084 31.064 -6.045 1.00 42.17 H new ATOM 0 HE3 LYS A 76 14.839 29.814 -4.842 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 12.768 30.960 -5.348 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 13.207 31.240 -3.732 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 13.444 32.451 -4.898 1.00 44.86 H new ATOM 1234 N ASP A 77 14.489 27.871 0.379 1.00 0.00 N ATOM 1235 CA ASP A 77 13.387 27.349 1.242 1.00 0.00 C ATOM 1236 C ASP A 77 13.806 27.372 2.716 1.00 0.00 C ATOM 1237 O ASP A 77 14.752 26.721 3.115 1.00 0.00 O ATOM 1238 CB ASP A 77 13.058 25.914 0.828 1.00 0.00 C ATOM 1239 CG ASP A 77 12.395 25.925 -0.550 1.00 0.00 C ATOM 1240 OD1 ASP A 77 11.193 26.126 -0.605 1.00 0.00 O ATOM 1241 OD2 ASP A 77 13.100 25.734 -1.527 1.00 0.00 O ATOM 0 H ASP A 77 15.149 27.167 0.048 1.00 0.00 H new ATOM 0 HA ASP A 77 12.509 27.982 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.967 25.313 0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.394 25.455 1.560 1.00 0.00 H new ATOM 1246 N SER A 78 13.101 28.113 3.530 1.00 0.00 N ATOM 1247 CA SER A 78 13.444 28.175 4.981 1.00 0.00 C ATOM 1248 C SER A 78 12.990 26.889 5.683 1.00 0.00 C ATOM 1249 O SER A 78 12.011 26.278 5.299 1.00 0.00 O ATOM 1250 CB SER A 78 12.741 29.374 5.622 1.00 0.00 C ATOM 1251 OG SER A 78 13.349 29.661 6.874 1.00 0.00 O ATOM 0 H SER A 78 12.300 28.680 3.251 1.00 0.00 H new ATOM 0 HA SER A 78 14.524 28.281 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.806 30.242 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.682 29.158 5.760 1.00 0.00 H new ATOM 0 HG SER A 78 13.982 30.402 6.768 1.00 0.00 H new ATOM 1257 N ILE A 79 13.677 26.488 6.725 1.00 14.84 N ATOM 1258 CA ILE A 79 13.269 25.256 7.472 1.00 16.24 C ATOM 1259 C ILE A 79 12.832 25.648 8.884 1.00 13.64 C ATOM 1260 O ILE A 79 12.092 24.935 9.530 1.00 15.36 O ATOM 1261 CB ILE A 79 14.433 24.257 7.575 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.717 24.971 8.064 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.679 23.613 6.208 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.007 24.630 9.537 1.00 20.45 C ATOM 0 H ILE A 79 14.503 26.961 7.091 1.00 14.84 H new ATOM 0 HA ILE A 79 12.450 24.783 6.931 1.00 16.24 H new ATOM 0 HB ILE A 79 14.172 23.483 8.297 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.562 24.673 7.444 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.604 26.049 7.951 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.504 22.905 6.283 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.779 23.089 5.886 1.00 15.93 H new ATOM 0 HG23 ILE A 79 14.929 24.386 5.481 1.00 15.93 H new ATOM 0 HD11 ILE A 79 16.914 25.143 9.858 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.170 24.951 10.157 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.143 23.554 9.641 1.00 20.45 H new ATOM 1276 N GLY A 80 13.280 26.779 9.370 1.00 12.42 N ATOM 1277 CA GLY A 80 12.882 27.213 10.744 1.00 13.73 C ATOM 1278 C GLY A 80 14.094 27.782 11.489 1.00 12.94 C ATOM 1279 O GLY A 80 14.790 28.648 10.994 1.00 13.82 O ATOM 0 H GLY A 80 13.902 27.419 8.876 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.097 27.966 10.682 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.470 26.368 11.296 1.00 13.73 H new ATOM 1283 N GLY A 81 14.341 27.304 12.683 1.00 12.24 N ATOM 1284 CA GLY A 81 15.498 27.810 13.482 1.00 10.24 C ATOM 1285 C GLY A 81 16.331 26.636 13.989 1.00 11.98 C ATOM 1286 O GLY A 81 16.602 25.694 13.270 1.00 12.42 O ATOM 0 H GLY A 81 13.787 26.580 13.141 1.00 12.24 H new ATOM 0 HA2 GLY A 81 16.115 28.467 12.869 1.00 10.24 H new ATOM 0 HA3 GLY A 81 15.139 28.403 14.323 1.00 10.24 H new ATOM 1290 N SER A 82 16.749 26.694 15.219 1.00 0.00 N ATOM 1291 CA SER A 82 17.579 25.594 15.781 1.00 0.00 C ATOM 1292 C SER A 82 16.719 24.354 16.015 1.00 0.00 C ATOM 1293 O SER A 82 16.924 23.319 15.416 1.00 0.00 O ATOM 1294 CB SER A 82 18.178 26.052 17.107 1.00 0.00 C ATOM 1295 OG SER A 82 18.394 24.923 17.941 1.00 0.00 O ATOM 0 H SER A 82 16.551 27.459 15.864 1.00 0.00 H new ATOM 0 HA SER A 82 18.374 25.346 15.077 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.118 26.575 16.933 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.507 26.758 17.597 1.00 0.00 H new ATOM 0 HG SER A 82 18.780 25.215 18.793 1.00 0.00 H new ATOM 1301 N SER A 83 15.767 24.454 16.892 1.00 0.00 N ATOM 1302 CA SER A 83 14.892 23.284 17.189 1.00 0.00 C ATOM 1303 C SER A 83 14.286 22.738 15.894 1.00 0.00 C ATOM 1304 O SER A 83 13.958 21.572 15.795 1.00 0.00 O ATOM 1305 CB SER A 83 13.773 23.719 18.135 1.00 0.00 C ATOM 1306 OG SER A 83 12.662 22.847 17.978 1.00 0.00 O ATOM 0 H SER A 83 15.553 25.299 17.421 1.00 0.00 H new ATOM 0 HA SER A 83 15.487 22.500 17.658 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.124 23.698 19.167 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.478 24.746 17.920 1.00 0.00 H new ATOM 0 HG SER A 83 11.942 23.122 18.584 1.00 0.00 H new ATOM 1312 N ASP A 84 14.135 23.563 14.902 1.00 12.98 N ATOM 1313 CA ASP A 84 13.555 23.077 13.617 1.00 14.53 C ATOM 1314 C ASP A 84 14.610 22.257 12.866 1.00 11.28 C ATOM 1315 O ASP A 84 14.341 21.181 12.369 1.00 12.09 O ATOM 1316 CB ASP A 84 13.123 24.275 12.765 1.00 17.72 C ATOM 1317 CG ASP A 84 11.937 23.879 11.884 1.00 19.35 C ATOM 1318 OD1 ASP A 84 11.989 22.811 11.297 1.00 27.06 O ATOM 1319 OD2 ASP A 84 10.995 24.651 11.813 1.00 21.94 O ATOM 0 H ASP A 84 14.386 24.551 14.921 1.00 12.98 H new ATOM 0 HA ASP A 84 12.686 22.451 13.818 1.00 14.53 H new ATOM 0 HB2 ASP A 84 12.848 25.111 13.408 1.00 17.72 H new ATOM 0 HB3 ASP A 84 13.954 24.611 12.144 1.00 17.72 H new ATOM 1324 N LEU A 85 15.808 22.765 12.784 1.00 11.34 N ATOM 1325 CA LEU A 85 16.897 22.034 12.069 1.00 11.04 C ATOM 1326 C LEU A 85 17.025 20.613 12.625 1.00 12.09 C ATOM 1327 O LEU A 85 16.903 19.639 11.910 1.00 11.43 O ATOM 1328 CB LEU A 85 18.222 22.777 12.284 1.00 9.45 C ATOM 1329 CG LEU A 85 19.252 22.336 11.234 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.535 23.157 11.400 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.581 20.848 11.414 1.00 15.31 C ATOM 0 H LEU A 85 16.084 23.662 13.184 1.00 11.34 H new ATOM 0 HA LEU A 85 16.661 21.985 11.006 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.060 23.853 12.216 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.603 22.575 13.285 1.00 9.45 H new ATOM 0 HG LEU A 85 18.835 22.496 10.240 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.266 22.844 10.655 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.310 24.215 11.266 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.943 22.997 12.398 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.312 20.544 10.665 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.992 20.684 12.410 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.673 20.258 11.295 1.00 15.31 H new ATOM 1343 N VAL A 86 17.290 20.495 13.893 1.00 0.00 N ATOM 1344 CA VAL A 86 17.457 19.144 14.510 1.00 0.00 C ATOM 1345 C VAL A 86 16.273 18.240 14.164 1.00 0.00 C ATOM 1346 O VAL A 86 16.450 17.130 13.708 1.00 0.00 O ATOM 1347 CB VAL A 86 17.555 19.283 16.037 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.011 19.155 16.478 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.023 20.652 16.470 1.00 0.00 C ATOM 0 H VAL A 86 17.400 21.279 14.536 1.00 0.00 H new ATOM 0 HA VAL A 86 18.370 18.696 14.116 1.00 0.00 H new ATOM 0 HB VAL A 86 16.961 18.495 16.499 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.073 19.255 17.562 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.397 18.180 16.180 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.604 19.939 16.007 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.095 20.744 17.554 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.614 21.438 15.999 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.981 20.750 16.166 1.00 0.00 H new ATOM 1359 N SER A 87 15.073 18.688 14.383 1.00 14.12 N ATOM 1360 CA SER A 87 13.901 17.823 14.072 1.00 14.37 C ATOM 1361 C SER A 87 14.080 17.214 12.677 1.00 13.29 C ATOM 1362 O SER A 87 13.749 16.069 12.439 1.00 11.18 O ATOM 1363 CB SER A 87 12.624 18.668 14.112 1.00 13.30 C ATOM 1364 OG SER A 87 11.536 17.855 14.534 1.00 21.79 O ATOM 0 H SER A 87 14.851 19.609 14.761 1.00 14.12 H new ATOM 0 HA SER A 87 13.825 17.022 14.808 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.751 19.508 14.795 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.420 19.086 13.126 1.00 13.30 H new ATOM 0 HG SER A 87 10.717 18.393 14.562 1.00 21.79 H new ATOM 1370 N LEU A 88 14.590 17.980 11.756 1.00 0.00 N ATOM 1371 CA LEU A 88 14.789 17.471 10.369 1.00 0.00 C ATOM 1372 C LEU A 88 16.046 16.593 10.249 1.00 0.00 C ATOM 1373 O LEU A 88 16.041 15.590 9.563 1.00 0.00 O ATOM 1374 CB LEU A 88 14.910 18.666 9.424 1.00 0.00 C ATOM 1375 CG LEU A 88 13.685 19.569 9.596 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.886 20.864 8.808 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.434 18.843 9.087 1.00 0.00 C ATOM 0 H LEU A 88 14.881 18.946 11.905 1.00 0.00 H new ATOM 0 HA LEU A 88 13.932 16.851 10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.821 19.224 9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.982 18.323 8.392 1.00 0.00 H new ATOM 0 HG LEU A 88 13.558 19.807 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.013 21.505 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.771 21.381 9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.017 20.630 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.564 19.488 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.559 18.600 8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.289 17.925 9.656 1.00 0.00 H new ATOM 1389 N GLN A 89 17.135 16.972 10.865 1.00 0.00 N ATOM 1390 CA GLN A 89 18.386 16.163 10.723 1.00 0.00 C ATOM 1391 C GLN A 89 18.159 14.729 11.209 1.00 0.00 C ATOM 1392 O GLN A 89 18.365 13.780 10.478 1.00 0.00 O ATOM 1393 CB GLN A 89 19.512 16.808 11.539 1.00 0.00 C ATOM 1394 CG GLN A 89 20.872 16.357 10.993 1.00 0.00 C ATOM 1395 CD GLN A 89 20.958 14.829 11.002 1.00 0.00 C ATOM 1396 OE1 GLN A 89 20.942 14.213 12.048 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.052 14.187 9.868 1.00 0.00 N ATOM 0 H GLN A 89 17.215 17.799 11.456 1.00 0.00 H new ATOM 0 HA GLN A 89 18.664 16.135 9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.432 17.894 11.491 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.420 16.528 12.588 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.008 16.731 9.978 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.674 16.778 11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.065 14.704 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.112 13.169 9.862 1.00 0.00 H new ATOM 1406 N GLN A 90 17.747 14.555 12.432 1.00 0.00 N ATOM 1407 CA GLN A 90 17.526 13.172 12.944 1.00 0.00 C ATOM 1408 C GLN A 90 16.431 12.494 12.125 1.00 0.00 C ATOM 1409 O GLN A 90 16.382 11.286 12.012 1.00 0.00 O ATOM 1410 CB GLN A 90 17.122 13.206 14.427 1.00 0.00 C ATOM 1411 CG GLN A 90 16.843 14.642 14.864 1.00 0.00 C ATOM 1412 CD GLN A 90 16.416 14.656 16.330 1.00 0.00 C ATOM 1413 OE1 GLN A 90 17.225 14.449 17.211 1.00 0.00 O ATOM 1414 NE2 GLN A 90 15.169 14.891 16.631 1.00 0.00 N ATOM 0 H GLN A 90 17.554 15.304 13.097 1.00 0.00 H new ATOM 0 HA GLN A 90 18.454 12.608 12.850 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.236 12.591 14.584 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.918 12.780 15.038 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.735 15.254 14.728 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.060 15.077 14.242 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.490 15.065 15.890 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.873 14.901 17.607 1.00 0.00 H new ATOM 1423 N SER A 91 15.552 13.262 11.556 1.00 0.00 N ATOM 1424 CA SER A 91 14.459 12.660 10.744 1.00 0.00 C ATOM 1425 C SER A 91 14.992 12.311 9.352 1.00 0.00 C ATOM 1426 O SER A 91 14.447 11.476 8.659 1.00 0.00 O ATOM 1427 CB SER A 91 13.307 13.655 10.622 1.00 0.00 C ATOM 1428 OG SER A 91 12.701 13.828 11.896 1.00 0.00 O ATOM 0 H SER A 91 15.540 14.280 11.616 1.00 0.00 H new ATOM 0 HA SER A 91 14.100 11.753 11.230 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.674 14.611 10.248 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.572 13.293 9.903 1.00 0.00 H new ATOM 0 HG SER A 91 12.755 14.771 12.159 1.00 0.00 H new ATOM 1434 N GLY A 92 16.065 12.932 8.946 1.00 19.34 N ATOM 1435 CA GLY A 92 16.645 12.623 7.605 1.00 19.37 C ATOM 1436 C GLY A 92 16.014 13.513 6.536 1.00 22.29 C ATOM 1437 O GLY A 92 16.468 13.559 5.409 1.00 25.64 O ATOM 0 H GLY A 92 16.566 13.640 9.483 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.724 12.776 7.624 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.476 11.574 7.361 1.00 19.37 H new ATOM 1441 N GLU A 93 14.978 14.226 6.871 1.00 22.54 N ATOM 1442 CA GLU A 93 14.337 15.111 5.865 1.00 24.53 C ATOM 1443 C GLU A 93 15.302 16.253 5.542 1.00 23.48 C ATOM 1444 O GLU A 93 15.301 16.799 4.456 1.00 22.85 O ATOM 1445 CB GLU A 93 13.036 15.674 6.443 1.00 27.50 C ATOM 1446 CG GLU A 93 12.477 16.761 5.521 1.00 36.43 C ATOM 1447 CD GLU A 93 12.364 16.223 4.093 1.00 44.30 C ATOM 1448 OE1 GLU A 93 12.063 15.050 3.944 1.00 42.86 O ATOM 1449 OE2 GLU A 93 12.579 16.993 3.171 1.00 50.26 O ATOM 0 H GLU A 93 14.549 14.234 7.796 1.00 22.54 H new ATOM 0 HA GLU A 93 14.108 14.553 4.957 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.305 14.874 6.560 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.218 16.086 7.435 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.498 17.084 5.876 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.127 17.636 5.539 1.00 36.43 H new ATOM 1456 N LEU A 94 16.123 16.618 6.490 1.00 24.17 N ATOM 1457 CA LEU A 94 17.098 17.726 6.263 1.00 22.19 C ATOM 1458 C LEU A 94 18.058 17.379 5.128 1.00 22.62 C ATOM 1459 O LEU A 94 18.092 18.040 4.110 1.00 21.76 O ATOM 1460 CB LEU A 94 17.911 17.961 7.533 1.00 23.15 C ATOM 1461 CG LEU A 94 18.545 19.357 7.484 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.521 20.417 7.918 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.759 19.398 8.419 1.00 21.18 C ATOM 0 H LEU A 94 16.161 16.194 7.417 1.00 24.17 H new ATOM 0 HA LEU A 94 16.538 18.623 5.998 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.270 17.872 8.410 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.687 17.201 7.627 1.00 23.15 H new ATOM 0 HG LEU A 94 18.863 19.570 6.463 1.00 23.80 H new ATOM 0 HD11 LEU A 94 17.981 21.404 7.880 1.00 18.74 H new ATOM 0 HD12 LEU A 94 16.663 20.390 7.247 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.192 20.209 8.936 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.211 20.389 8.385 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.441 19.179 9.438 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.490 18.655 8.099 1.00 21.18 H new ATOM 1475 N LEU A 95 18.855 16.359 5.303 1.00 0.00 N ATOM 1476 CA LEU A 95 19.828 15.996 4.238 1.00 0.00 C ATOM 1477 C LEU A 95 19.073 15.851 2.926 1.00 0.00 C ATOM 1478 O LEU A 95 19.586 16.132 1.860 1.00 0.00 O ATOM 1479 CB LEU A 95 20.533 14.681 4.610 1.00 0.00 C ATOM 1480 CG LEU A 95 19.783 13.466 4.041 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.162 13.243 2.563 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.158 12.225 4.858 1.00 0.00 C ATOM 0 H LEU A 95 18.873 15.766 6.133 1.00 0.00 H new ATOM 0 HA LEU A 95 20.587 16.771 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.554 14.692 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.599 14.595 5.695 1.00 0.00 H new ATOM 0 HG LEU A 95 18.710 13.646 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.622 12.379 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.897 14.127 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.235 13.066 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.631 11.356 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.233 12.058 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.877 12.377 5.900 1.00 0.00 H new ATOM 1494 N THR A 96 17.846 15.442 3.004 1.00 15.75 N ATOM 1495 CA THR A 96 17.035 15.308 1.765 1.00 17.89 C ATOM 1496 C THR A 96 16.844 16.700 1.169 1.00 14.96 C ATOM 1497 O THR A 96 17.084 16.924 0.000 1.00 17.84 O ATOM 1498 CB THR A 96 15.669 14.687 2.087 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.760 13.276 1.970 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.606 15.211 1.114 1.00 28.03 C ATOM 0 H THR A 96 17.366 15.194 3.869 1.00 15.75 H new ATOM 0 HA THR A 96 17.546 14.658 1.055 1.00 17.89 H new ATOM 0 HB THR A 96 15.383 14.959 3.103 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.890 12.874 2.176 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.642 14.763 1.353 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.534 16.295 1.203 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.885 14.948 0.094 1.00 28.03 H new ATOM 1508 N ARG A 97 16.436 17.646 1.976 1.00 12.39 N ATOM 1509 CA ARG A 97 16.248 19.028 1.460 1.00 13.82 C ATOM 1510 C ARG A 97 17.567 19.469 0.833 1.00 14.98 C ATOM 1511 O ARG A 97 17.601 20.140 -0.177 1.00 16.48 O ATOM 1512 CB ARG A 97 15.881 19.960 2.624 1.00 18.70 C ATOM 1513 CG ARG A 97 15.137 21.194 2.096 1.00 27.27 C ATOM 1514 CD ARG A 97 13.635 20.901 2.018 1.00 36.05 C ATOM 1515 NE ARG A 97 12.937 22.057 1.388 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.718 21.919 0.942 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.108 20.771 1.060 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.108 22.928 0.380 1.00 40.96 N ATOM 0 H ARG A 97 16.226 17.518 2.966 1.00 12.39 H new ATOM 0 HA ARG A 97 15.447 19.063 0.721 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.257 19.429 3.343 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.783 20.268 3.152 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.317 22.046 2.751 1.00 27.27 H new ATOM 0 HG3 ARG A 97 15.516 21.464 1.110 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.460 19.996 1.437 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.236 20.721 3.016 1.00 36.05 H new ATOM 0 HE ARG A 97 13.412 22.956 1.305 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.584 19.983 1.500 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.155 20.661 0.712 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.584 23.825 0.289 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.155 22.818 0.032 1.00 40.96 H new ATOM 1532 N LEU A 98 18.655 19.061 1.418 1.00 12.44 N ATOM 1533 CA LEU A 98 19.983 19.405 0.861 1.00 12.45 C ATOM 1534 C LEU A 98 20.212 18.577 -0.408 1.00 14.25 C ATOM 1535 O LEU A 98 20.801 19.030 -1.370 1.00 12.19 O ATOM 1536 CB LEU A 98 21.053 19.052 1.896 1.00 13.23 C ATOM 1537 CG LEU A 98 21.163 20.158 2.950 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.010 20.046 3.948 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.484 20.009 3.701 1.00 15.05 C ATOM 0 H LEU A 98 18.678 18.498 2.268 1.00 12.44 H new ATOM 0 HA LEU A 98 20.034 20.468 0.623 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.804 18.106 2.377 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.015 18.915 1.402 1.00 13.23 H new ATOM 0 HG LEU A 98 21.120 21.128 2.454 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.096 20.836 4.694 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.061 20.147 3.421 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.049 19.075 4.442 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.566 20.795 4.452 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.517 19.035 4.189 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.313 20.091 2.998 1.00 15.05 H new ATOM 1551 N LYS A 99 19.762 17.349 -0.394 1.00 0.00 N ATOM 1552 CA LYS A 99 19.955 16.446 -1.565 1.00 0.00 C ATOM 1553 C LYS A 99 19.192 16.950 -2.798 1.00 0.00 C ATOM 1554 O LYS A 99 19.760 17.115 -3.860 1.00 0.00 O ATOM 1555 CB LYS A 99 19.450 15.046 -1.199 1.00 0.00 C ATOM 1556 CG LYS A 99 19.868 14.039 -2.284 1.00 0.00 C ATOM 1557 CD LYS A 99 20.641 12.881 -1.645 1.00 0.00 C ATOM 1558 CE LYS A 99 21.114 11.918 -2.734 1.00 0.00 C ATOM 1559 NZ LYS A 99 22.191 12.564 -3.536 1.00 0.00 N ATOM 0 H LYS A 99 19.263 16.929 0.390 1.00 0.00 H new ATOM 0 HA LYS A 99 21.017 16.423 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.857 14.744 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.365 15.056 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.986 13.659 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.487 14.533 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.496 13.265 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.006 12.356 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.484 10.997 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.280 11.644 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.717 11.836 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.768 13.236 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.840 13.071 -2.901 1.00 0.00 H new ATOM 1573 N GLN A 100 17.908 17.166 -2.684 1.00 18.17 N ATOM 1574 CA GLN A 100 17.125 17.619 -3.870 1.00 18.02 C ATOM 1575 C GLN A 100 17.821 18.797 -4.563 1.00 18.05 C ATOM 1576 O GLN A 100 17.765 18.922 -5.771 1.00 19.19 O ATOM 1577 CB GLN A 100 15.705 18.021 -3.447 1.00 20.45 C ATOM 1578 CG GLN A 100 15.705 18.489 -1.990 1.00 29.25 C ATOM 1579 CD GLN A 100 14.575 19.496 -1.768 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.694 20.650 -2.127 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.477 19.101 -1.187 1.00 38.64 N ATOM 0 H GLN A 100 17.370 17.049 -1.825 1.00 18.17 H new ATOM 0 HA GLN A 100 17.064 16.791 -4.576 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.336 18.817 -4.093 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.028 17.175 -3.566 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.579 17.635 -1.324 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.664 18.945 -1.745 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.379 18.131 -0.886 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.715 19.762 -1.033 1.00 38.64 H new ATOM 1590 N ILE A 101 18.480 19.657 -3.830 1.00 0.00 N ATOM 1591 CA ILE A 101 19.173 20.804 -4.489 1.00 0.00 C ATOM 1592 C ILE A 101 20.661 20.479 -4.620 1.00 0.00 C ATOM 1593 O ILE A 101 21.385 21.116 -5.359 1.00 0.00 O ATOM 1594 CB ILE A 101 19.001 22.075 -3.656 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.507 21.834 -2.231 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.525 22.476 -3.614 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.218 23.067 -1.368 1.00 0.00 C ATOM 0 H ILE A 101 18.568 19.616 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 101 18.738 20.968 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 101 19.578 22.879 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.020 20.957 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.578 21.629 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.411 23.382 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.169 22.660 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.942 21.672 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.579 22.894 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.726 23.934 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.144 23.251 -1.345 1.00 0.00 H new ATOM 1609 N GLY A 102 21.117 19.480 -3.915 1.00 11.15 N ATOM 1610 CA GLY A 102 22.555 19.095 -4.004 1.00 12.21 C ATOM 1611 C GLY A 102 23.407 20.006 -3.119 1.00 14.73 C ATOM 1612 O GLY A 102 24.466 20.450 -3.512 1.00 18.54 O ATOM 0 H GLY A 102 20.555 18.913 -3.280 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.680 18.057 -3.695 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.893 19.163 -5.038 1.00 12.21 H new ATOM 1616 N ALA A 103 22.962 20.287 -1.928 1.00 10.84 N ATOM 1617 CA ALA A 103 23.765 21.169 -1.030 1.00 9.88 C ATOM 1618 C ALA A 103 24.780 20.330 -0.249 1.00 9.21 C ATOM 1619 O ALA A 103 25.755 20.839 0.268 1.00 7.47 O ATOM 1620 CB ALA A 103 22.840 21.884 -0.047 1.00 4.30 C ATOM 0 H ALA A 103 22.083 19.948 -1.537 1.00 10.84 H new ATOM 0 HA ALA A 103 24.293 21.905 -1.636 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.430 22.527 0.606 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.121 22.490 -0.599 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.308 21.147 0.554 1.00 4.30 H new ATOM 1626 N LEU A 104 24.561 19.048 -0.163 1.00 0.00 N ATOM 1627 CA LEU A 104 25.514 18.173 0.582 1.00 0.00 C ATOM 1628 C LEU A 104 26.522 17.573 -0.395 1.00 0.00 C ATOM 1629 O LEU A 104 26.530 17.888 -1.567 1.00 0.00 O ATOM 1630 CB LEU A 104 24.751 17.045 1.293 1.00 0.00 C ATOM 1631 CG LEU A 104 23.849 16.292 0.298 1.00 0.00 C ATOM 1632 CD1 LEU A 104 24.636 15.189 -0.423 1.00 0.00 C ATOM 1633 CD2 LEU A 104 22.680 15.657 1.054 1.00 0.00 C ATOM 0 H LEU A 104 23.763 18.566 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 104 26.038 18.770 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.458 16.351 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.146 17.460 2.099 1.00 0.00 H new ATOM 0 HG LEU A 104 23.480 17.003 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.979 14.670 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 104 25.468 15.633 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 104 25.021 14.479 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 104 22.040 15.123 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 104 23.064 14.959 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 104 22.102 16.436 1.552 1.00 0.00 H new ATOM 1645 N GLN A 105 27.371 16.710 0.081 1.00 0.00 N ATOM 1646 CA GLN A 105 28.387 16.082 -0.810 1.00 0.00 C ATOM 1647 C GLN A 105 27.736 14.965 -1.628 1.00 0.00 C ATOM 1648 O GLN A 105 27.477 13.916 -1.062 1.00 0.00 O ATOM 1649 CB GLN A 105 29.509 15.497 0.049 1.00 0.00 C ATOM 1650 CG GLN A 105 30.389 16.630 0.588 1.00 0.00 C ATOM 1651 CD GLN A 105 31.425 17.023 -0.467 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.055 17.741 -1.492 1.00 0.00 O flip ATOM 1653 NE2 GLN A 105 32.583 16.673 -0.358 1.00 0.00 N flip ATOM 1654 OXT GLN A 105 27.512 15.177 -2.809 1.00 0.00 O ATOM 0 H GLN A 105 27.407 16.409 1.055 1.00 0.00 H new ATOM 0 HA GLN A 105 28.793 16.832 -1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.087 14.926 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.110 14.806 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 105 29.773 17.491 0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 105 30.889 16.312 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.873 16.112 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.265 16.940 -1.067 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.494 27.722 19.756 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.298 28.743 18.688 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.019 28.044 17.355 1.00 0.00 C HETATM 1667 O11 GSH A 106 12.864 27.750 17.094 1.00 0.00 O HETATM 1668 O12 GSH A 106 14.964 27.819 16.616 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.566 29.594 18.570 1.00 0.00 C HETATM 1670 CG1 GSH A 106 15.960 30.125 19.957 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.062 31.654 19.938 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.604 32.241 19.026 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.609 32.296 20.978 1.00 0.00 N HETATM 1674 CA2 GSH A 106 15.848 33.761 21.111 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.177 34.517 19.958 1.00 0.00 C HETATM 1676 O2 GSH A 106 14.063 34.216 19.582 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.361 34.018 21.098 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.223 32.513 21.622 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.702 35.669 19.630 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.986 36.593 18.702 1.00 0.00 C HETATM 1681 C3 GSH A 106 15.170 38.032 19.182 1.00 0.00 C HETATM 1682 O31 GSH A 106 15.271 38.224 20.383 1.00 0.00 O HETATM 1683 O32 GSH A 106 15.245 38.911 18.341 1.00 0.00 O HETATM 0 HN12 GSH A 106 14.691 28.016 20.713 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.432 26.729 19.530 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.221 29.813 20.695 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.915 29.695 20.260 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.685 34.308 20.098 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.608 34.844 21.765 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.378 28.999 18.153 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.396 30.425 17.886 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.374 36.483 17.689 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.926 36.342 18.666 1.00 0.00 H new HETATM 0 HN3 GSH A 106 16.609 35.938 20.012 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.091 31.796 21.701 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.420 34.117 22.048 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.451 29.382 18.940 1.00 0.00 H new