USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -49:sc= 0.0221 USER MOD Set 1.2: A 103 ASN : amide:sc= -0.55 K(o=-0.53,f=-5.1!) USER MOD Set 2.1: A 92 THR OG1 : rot -160:sc= 0.856 USER MOD Set 2.2: A 107 LYS NZ :NH3+ -164:sc= 2.17 (180deg=1.03) USER MOD Set 3.1: A 87 THR OG1 : rot -41:sc= 0.573 USER MOD Set 3.2: A 113 ASN : amide:sc= -0.152 X(o=0.42,f=0.55) USER MOD Set 4.1: A 71 ASN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Set 4.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 34 GLN : amide:sc= 0.343 K(o=-1.2,f=-4.6!) USER MOD Set 5.2: A 80 GLN : amide:sc= -0.0718 K(o=-1.2,f=-9.2!) USER MOD Set 5.3: A 88 GLN : amide:sc= -1.51 K(o=-1.2,f=0.12) USER MOD Single : A 18 SER OG : rot -50:sc= 0.304 USER MOD Single : A 19 HIS : no HE2:sc= 0.864 K(o=0.86,f=-4.7!) USER MOD Single : A 20 MET CE :methyl -123:sc= -0.321 (180deg=-1.88) USER MOD Single : A 21 SER OG : rot 52:sc= 0.196 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 70:sc= 0.231 USER MOD Single : A 33 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.581 USER MOD Single : A 39 THR OG1 : rot -36:sc= 2.45 USER MOD Single : A 41 ASN : amide:sc= -2.94! K(o=-2.9!,f=-0.73) USER MOD Single : A 44 SER OG : rot -72:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.601) USER MOD Single : A 50 MET CE :methyl -137:sc= -8.78! (180deg=-12.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 52 GLN : amide:sc= 0.941 K(o=0.94,f=-0.37) USER MOD Single : A 53 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.026) USER MOD Single : A 54 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.54) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 64 MET CE :methyl -120:sc= -1.48 (180deg=-4.62!) USER MOD Single : A 65 SER OG : rot -39:sc= 0.164 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 75 TYR OH : rot 154:sc= 0.0178! USER MOD Single : A 79 GLN : amide:sc= -0.0382 K(o=-0.038,f=-0.61) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00671 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.68! C(o=-1.7!,f=-9.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00745 USER MOD Single : A 98 SER OG : rot -29:sc= 0.149 USER MOD Single : A 106 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.034) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -7.631 16.360 -28.268 1.00 0.00 N ATOM 2 CA GLY A 17 -7.073 15.692 -27.070 1.00 0.00 C ATOM 3 C GLY A 17 -8.001 15.801 -25.879 1.00 0.00 C ATOM 4 O GLY A 17 -9.198 16.048 -26.040 1.00 0.00 O ATOM 0 HA2 GLY A 17 -6.890 14.641 -27.293 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.110 16.137 -26.822 1.00 0.00 H new ATOM 10 N SER A 18 -7.439 15.609 -24.686 1.00 0.00 N ATOM 11 CA SER A 18 -8.179 15.728 -23.428 1.00 0.00 C ATOM 12 C SER A 18 -9.263 14.649 -23.302 1.00 0.00 C ATOM 13 O SER A 18 -10.178 14.758 -22.481 1.00 0.00 O ATOM 14 CB SER A 18 -8.791 17.128 -23.309 1.00 0.00 C ATOM 15 OG SER A 18 -9.233 17.397 -21.989 1.00 0.00 O ATOM 0 H SER A 18 -6.456 15.366 -24.563 1.00 0.00 H new ATOM 0 HA SER A 18 -7.476 15.577 -22.609 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.053 17.874 -23.605 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.630 17.218 -23.999 1.00 0.00 H new ATOM 0 HG SER A 18 -9.788 16.654 -21.672 1.00 0.00 H new ATOM 21 N HIS A 19 -9.156 13.613 -24.119 1.00 0.00 N ATOM 22 CA HIS A 19 -10.060 12.471 -24.048 1.00 0.00 C ATOM 23 C HIS A 19 -9.247 11.189 -24.030 1.00 0.00 C ATOM 24 O HIS A 19 -8.997 10.583 -25.071 1.00 0.00 O ATOM 25 CB HIS A 19 -11.049 12.460 -25.225 1.00 0.00 C ATOM 26 CG HIS A 19 -12.103 13.528 -25.151 1.00 0.00 C ATOM 27 ND1 HIS A 19 -13.357 13.316 -24.611 1.00 0.00 N ATOM 28 CD2 HIS A 19 -12.093 14.819 -25.560 1.00 0.00 C ATOM 29 CE1 HIS A 19 -14.063 14.427 -24.690 1.00 0.00 C ATOM 30 NE2 HIS A 19 -13.321 15.351 -25.260 1.00 0.00 N ATOM 0 H HIS A 19 -8.445 13.538 -24.847 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.645 12.549 -23.132 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.492 12.578 -26.155 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.536 11.486 -25.267 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -13.686 12.436 -24.213 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.271 15.334 -26.034 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -15.078 14.556 -24.345 1.00 0.00 H new ATOM 39 N MET A 20 -8.832 10.788 -22.839 1.00 0.00 N ATOM 40 CA MET A 20 -7.912 9.668 -22.678 1.00 0.00 C ATOM 41 C MET A 20 -8.594 8.341 -22.981 1.00 0.00 C ATOM 42 O MET A 20 -8.104 7.559 -23.789 1.00 0.00 O ATOM 43 CB MET A 20 -7.315 9.668 -21.271 1.00 0.00 C ATOM 44 CG MET A 20 -6.404 10.859 -21.015 1.00 0.00 C ATOM 45 SD MET A 20 -5.757 10.912 -19.332 1.00 0.00 S ATOM 46 CE MET A 20 -7.256 11.205 -18.400 1.00 0.00 C ATOM 0 H MET A 20 -9.119 11.224 -21.962 1.00 0.00 H new ATOM 0 HA MET A 20 -7.102 9.790 -23.397 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.123 9.671 -20.539 1.00 0.00 H new ATOM 0 HB3 MET A 20 -6.752 8.747 -21.121 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.570 10.828 -21.717 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.954 11.778 -21.215 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.145 12.114 -17.808 1.00 0.00 H new ATOM 0 HE2 MET A 20 -8.095 11.319 -19.087 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.443 10.361 -17.736 1.00 0.00 H new ATOM 56 N SER A 21 -9.722 8.090 -22.337 1.00 0.00 N ATOM 57 CA SER A 21 -10.501 6.896 -22.616 1.00 0.00 C ATOM 58 C SER A 21 -11.812 7.278 -23.295 1.00 0.00 C ATOM 59 O SER A 21 -12.844 6.625 -23.105 1.00 0.00 O ATOM 60 CB SER A 21 -10.749 6.116 -21.323 1.00 0.00 C ATOM 61 OG SER A 21 -11.169 6.980 -20.279 1.00 0.00 O ATOM 0 H SER A 21 -10.118 8.696 -21.619 1.00 0.00 H new ATOM 0 HA SER A 21 -9.944 6.250 -23.295 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.508 5.352 -21.495 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.837 5.598 -21.026 1.00 0.00 H new ATOM 0 HG SER A 21 -11.923 7.524 -20.588 1.00 0.00 H new ATOM 67 N THR A 22 -11.745 8.338 -24.104 1.00 0.00 N ATOM 68 CA THR A 22 -12.913 8.912 -24.772 1.00 0.00 C ATOM 69 C THR A 22 -13.829 9.611 -23.763 1.00 0.00 C ATOM 70 O THR A 22 -14.000 10.828 -23.812 1.00 0.00 O ATOM 71 CB THR A 22 -13.700 7.849 -25.572 1.00 0.00 C ATOM 72 OG1 THR A 22 -12.838 7.243 -26.546 1.00 0.00 O ATOM 73 CG2 THR A 22 -14.898 8.471 -26.275 1.00 0.00 C ATOM 0 H THR A 22 -10.873 8.824 -24.315 1.00 0.00 H new ATOM 0 HA THR A 22 -12.546 9.653 -25.482 1.00 0.00 H new ATOM 0 HB THR A 22 -14.062 7.094 -24.874 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.338 6.568 -27.051 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.434 7.701 -26.830 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.564 8.915 -25.535 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.555 9.243 -26.964 1.00 0.00 H new ATOM 81 N LEU A 23 -14.391 8.847 -22.841 1.00 0.00 N ATOM 82 CA LEU A 23 -15.241 9.403 -21.803 1.00 0.00 C ATOM 83 C LEU A 23 -14.403 9.727 -20.578 1.00 0.00 C ATOM 84 O LEU A 23 -13.459 9.009 -20.256 1.00 0.00 O ATOM 85 CB LEU A 23 -16.365 8.429 -21.419 1.00 0.00 C ATOM 86 CG LEU A 23 -17.420 8.150 -22.502 1.00 0.00 C ATOM 87 CD1 LEU A 23 -17.885 9.443 -23.155 1.00 0.00 C ATOM 88 CD2 LEU A 23 -16.899 7.177 -23.548 1.00 0.00 C ATOM 0 H LEU A 23 -14.273 7.835 -22.791 1.00 0.00 H new ATOM 0 HA LEU A 23 -15.700 10.313 -22.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.913 7.481 -21.129 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -16.873 8.822 -20.539 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.277 7.686 -22.013 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.631 9.218 -23.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.324 10.095 -22.400 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -17.034 9.944 -23.617 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -17.670 7.002 -24.298 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -16.015 7.597 -24.027 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -16.638 6.233 -23.069 1.00 0.00 H new ATOM 100 N GLU A 24 -14.753 10.802 -19.894 1.00 0.00 N ATOM 101 CA GLU A 24 -14.018 11.238 -18.712 1.00 0.00 C ATOM 102 C GLU A 24 -14.433 10.436 -17.476 1.00 0.00 C ATOM 103 O GLU A 24 -14.630 10.985 -16.391 1.00 0.00 O ATOM 104 CB GLU A 24 -14.242 12.734 -18.493 1.00 0.00 C ATOM 105 CG GLU A 24 -15.709 13.126 -18.438 1.00 0.00 C ATOM 106 CD GLU A 24 -15.911 14.615 -18.594 1.00 0.00 C ATOM 107 OE1 GLU A 24 -15.908 15.331 -17.572 1.00 0.00 O ATOM 108 OE2 GLU A 24 -16.069 15.075 -19.742 1.00 0.00 O ATOM 0 H GLU A 24 -15.547 11.395 -20.136 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.955 11.058 -18.874 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.759 13.033 -17.563 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.756 13.287 -19.297 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.252 12.603 -19.225 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.134 12.801 -17.488 1.00 0.00 H new ATOM 115 N ARG A 25 -14.546 9.127 -17.648 1.00 0.00 N ATOM 116 CA ARG A 25 -14.942 8.235 -16.567 1.00 0.00 C ATOM 117 C ARG A 25 -13.719 7.785 -15.784 1.00 0.00 C ATOM 118 O ARG A 25 -13.831 7.115 -14.760 1.00 0.00 O ATOM 119 CB ARG A 25 -15.683 7.023 -17.125 1.00 0.00 C ATOM 120 CG ARG A 25 -16.965 7.385 -17.853 1.00 0.00 C ATOM 121 CD ARG A 25 -17.658 6.154 -18.405 1.00 0.00 C ATOM 122 NE ARG A 25 -18.917 6.489 -19.060 1.00 0.00 N ATOM 123 CZ ARG A 25 -19.977 5.688 -19.086 1.00 0.00 C ATOM 124 NH1 ARG A 25 -19.923 4.488 -18.514 1.00 0.00 N ATOM 125 NH2 ARG A 25 -21.086 6.092 -19.695 1.00 0.00 N ATOM 0 H ARG A 25 -14.367 8.655 -18.535 1.00 0.00 H new ATOM 0 HA ARG A 25 -15.610 8.775 -15.896 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.025 6.486 -17.808 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.918 6.341 -16.307 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.637 7.907 -17.171 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.740 8.073 -18.668 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.000 5.655 -19.116 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.846 5.449 -17.595 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.988 7.393 -19.527 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -19.066 4.180 -18.054 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.738 3.876 -18.536 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -21.119 7.010 -20.138 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -21.905 5.484 -19.720 1.00 0.00 H new ATOM 139 N VAL A 26 -12.552 8.180 -16.268 1.00 0.00 N ATOM 140 CA VAL A 26 -11.293 7.847 -15.617 1.00 0.00 C ATOM 141 C VAL A 26 -10.943 8.916 -14.567 1.00 0.00 C ATOM 142 O VAL A 26 -9.779 9.255 -14.338 1.00 0.00 O ATOM 143 CB VAL A 26 -10.162 7.690 -16.669 1.00 0.00 C ATOM 144 CG1 VAL A 26 -9.868 9.009 -17.368 1.00 0.00 C ATOM 145 CG2 VAL A 26 -8.901 7.101 -16.053 1.00 0.00 C ATOM 0 H VAL A 26 -12.450 8.736 -17.117 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.399 6.892 -15.103 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.517 6.987 -17.423 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.072 8.864 -18.098 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.766 9.360 -17.876 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.555 9.749 -16.632 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.132 7.006 -16.819 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.543 7.757 -15.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.124 6.118 -15.639 1.00 0.00 H new ATOM 155 N VAL A 27 -11.974 9.447 -13.929 1.00 0.00 N ATOM 156 CA VAL A 27 -11.796 10.417 -12.869 1.00 0.00 C ATOM 157 C VAL A 27 -11.366 9.694 -11.595 1.00 0.00 C ATOM 158 O VAL A 27 -11.500 8.471 -11.493 1.00 0.00 O ATOM 159 CB VAL A 27 -13.094 11.215 -12.603 1.00 0.00 C ATOM 160 CG1 VAL A 27 -13.988 10.493 -11.605 1.00 0.00 C ATOM 161 CG2 VAL A 27 -12.775 12.623 -12.126 1.00 0.00 C ATOM 0 H VAL A 27 -12.947 9.218 -14.131 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.028 11.126 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.639 11.291 -13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.893 11.077 -11.438 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.257 9.513 -12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.456 10.371 -10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.703 13.165 -11.945 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.199 12.572 -11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.194 13.142 -12.888 1.00 0.00 H new ATOM 171 N TYR A 28 -10.870 10.440 -10.627 1.00 0.00 N ATOM 172 CA TYR A 28 -10.381 9.851 -9.396 1.00 0.00 C ATOM 173 C TYR A 28 -11.529 9.580 -8.432 1.00 0.00 C ATOM 174 O TYR A 28 -12.514 10.317 -8.402 1.00 0.00 O ATOM 175 CB TYR A 28 -9.356 10.772 -8.753 1.00 0.00 C ATOM 176 CG TYR A 28 -8.248 10.021 -8.064 1.00 0.00 C ATOM 177 CD1 TYR A 28 -7.264 9.390 -8.809 1.00 0.00 C ATOM 178 CD2 TYR A 28 -8.193 9.920 -6.681 1.00 0.00 C ATOM 179 CE1 TYR A 28 -6.250 8.680 -8.199 1.00 0.00 C ATOM 180 CE2 TYR A 28 -7.184 9.209 -6.061 1.00 0.00 C ATOM 181 CZ TYR A 28 -6.215 8.593 -6.825 1.00 0.00 C ATOM 182 OH TYR A 28 -5.217 7.872 -6.215 1.00 0.00 O ATOM 0 H TYR A 28 -10.795 11.456 -10.670 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.905 8.899 -9.632 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.928 11.422 -9.517 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.856 11.416 -8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.291 9.455 -9.887 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.950 10.404 -6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.490 8.196 -8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.154 9.136 -4.984 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.363 8.341 -6.321 1.00 0.00 H new ATOM 192 N ARG A 29 -11.392 8.521 -7.654 1.00 0.00 N ATOM 193 CA ARG A 29 -12.425 8.124 -6.722 1.00 0.00 C ATOM 194 C ARG A 29 -12.107 8.623 -5.320 1.00 0.00 C ATOM 195 O ARG A 29 -10.942 8.802 -4.966 1.00 0.00 O ATOM 196 CB ARG A 29 -12.592 6.599 -6.710 1.00 0.00 C ATOM 197 CG ARG A 29 -11.327 5.830 -6.352 1.00 0.00 C ATOM 198 CD ARG A 29 -11.632 4.364 -6.087 1.00 0.00 C ATOM 199 NE ARG A 29 -12.520 4.199 -4.936 1.00 0.00 N ATOM 200 CZ ARG A 29 -13.423 3.226 -4.817 1.00 0.00 C ATOM 201 NH1 ARG A 29 -13.538 2.293 -5.754 1.00 0.00 N ATOM 202 NH2 ARG A 29 -14.210 3.183 -3.749 1.00 0.00 N ATOM 0 H ARG A 29 -10.569 7.919 -7.652 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.362 8.575 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.375 6.337 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.933 6.275 -7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.605 5.913 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.866 6.274 -5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.094 3.922 -6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.702 3.824 -5.910 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.443 4.873 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.932 2.317 -6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.232 1.552 -5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.123 3.893 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.902 2.440 -3.655 1.00 0.00 H new ATOM 216 N PRO A 30 -13.158 8.879 -4.527 1.00 0.00 N ATOM 217 CA PRO A 30 -13.040 9.248 -3.111 1.00 0.00 C ATOM 218 C PRO A 30 -12.202 8.259 -2.300 1.00 0.00 C ATOM 219 O PRO A 30 -11.868 7.171 -2.781 1.00 0.00 O ATOM 220 CB PRO A 30 -14.485 9.217 -2.622 1.00 0.00 C ATOM 221 CG PRO A 30 -15.312 9.453 -3.828 1.00 0.00 C ATOM 222 CD PRO A 30 -14.557 8.865 -4.975 1.00 0.00 C ATOM 0 HA PRO A 30 -12.539 10.209 -2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.724 8.258 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.661 9.984 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -16.291 8.985 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.483 10.519 -3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.894 7.853 -5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.691 9.452 -5.883 1.00 0.00 H new ATOM 230 N ASP A 31 -11.926 8.627 -1.046 1.00 0.00 N ATOM 231 CA ASP A 31 -11.066 7.852 -0.151 1.00 0.00 C ATOM 232 C ASP A 31 -9.621 7.878 -0.617 1.00 0.00 C ATOM 233 O ASP A 31 -9.213 7.130 -1.506 1.00 0.00 O ATOM 234 CB ASP A 31 -11.569 6.418 0.025 1.00 0.00 C ATOM 235 CG ASP A 31 -10.593 5.513 0.762 1.00 0.00 C ATOM 236 OD1 ASP A 31 -10.417 5.687 1.988 1.00 0.00 O ATOM 237 OD2 ASP A 31 -10.028 4.596 0.124 1.00 0.00 O ATOM 0 H ASP A 31 -12.296 9.477 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.109 8.328 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.513 6.438 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.775 5.992 -0.957 1.00 0.00 H new ATOM 242 N ILE A 32 -8.860 8.726 0.062 1.00 0.00 N ATOM 243 CA ILE A 32 -7.465 9.000 -0.237 1.00 0.00 C ATOM 244 C ILE A 32 -7.182 9.427 -1.691 1.00 0.00 C ATOM 245 O ILE A 32 -7.876 9.056 -2.633 1.00 0.00 O ATOM 246 CB ILE A 32 -6.647 7.782 0.159 1.00 0.00 C ATOM 247 CG1 ILE A 32 -6.878 7.512 1.640 1.00 0.00 C ATOM 248 CG2 ILE A 32 -5.181 7.988 -0.130 1.00 0.00 C ATOM 249 CD1 ILE A 32 -6.115 8.431 2.564 1.00 0.00 C ATOM 0 H ILE A 32 -9.209 9.257 0.860 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.173 9.873 0.347 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.966 6.922 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.943 7.604 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.597 6.482 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.624 7.099 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.042 8.167 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.817 8.848 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.336 8.171 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.046 8.323 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.412 9.463 2.378 1.00 0.00 H new ATOM 261 N ASN A 33 -6.138 10.232 -1.852 1.00 0.00 N ATOM 262 CA ASN A 33 -5.742 10.746 -3.160 1.00 0.00 C ATOM 263 C ASN A 33 -4.547 9.976 -3.694 1.00 0.00 C ATOM 264 O ASN A 33 -3.792 10.469 -4.532 1.00 0.00 O ATOM 265 CB ASN A 33 -5.388 12.224 -3.053 1.00 0.00 C ATOM 266 CG ASN A 33 -6.503 13.033 -2.432 1.00 0.00 C ATOM 267 OD1 ASN A 33 -7.335 13.620 -3.128 1.00 0.00 O ATOM 268 ND2 ASN A 33 -6.528 13.056 -1.108 1.00 0.00 N ATOM 0 H ASN A 33 -5.544 10.546 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.579 10.622 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.483 12.337 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.166 12.616 -4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.258 13.575 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.817 12.554 -0.576 1.00 0.00 H new ATOM 275 N GLN A 34 -4.380 8.767 -3.187 1.00 0.00 N ATOM 276 CA GLN A 34 -3.282 7.905 -3.598 1.00 0.00 C ATOM 277 C GLN A 34 -3.711 6.447 -3.514 1.00 0.00 C ATOM 278 O GLN A 34 -3.000 5.578 -3.014 1.00 0.00 O ATOM 279 CB GLN A 34 -2.043 8.189 -2.754 1.00 0.00 C ATOM 280 CG GLN A 34 -2.157 7.749 -1.305 1.00 0.00 C ATOM 281 CD GLN A 34 -1.021 8.209 -0.439 1.00 0.00 C ATOM 282 OE1 GLN A 34 -0.563 7.478 0.431 1.00 0.00 O ATOM 283 NE2 GLN A 34 -0.628 9.452 -0.595 1.00 0.00 N ATOM 0 H GLN A 34 -4.995 8.356 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.021 8.114 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.187 7.688 -3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.837 9.259 -2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.092 8.128 -0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.211 6.661 -1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.035 10.027 -1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.085 9.843 0.021 1.00 0.00 H new ATOM 292 N GLY A 35 -4.900 6.208 -4.019 1.00 0.00 N ATOM 293 CA GLY A 35 -5.466 4.877 -4.024 1.00 0.00 C ATOM 294 C GLY A 35 -4.928 4.029 -5.161 1.00 0.00 C ATOM 295 O GLY A 35 -3.797 4.236 -5.614 1.00 0.00 O ATOM 0 H GLY A 35 -5.498 6.923 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.249 4.388 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.551 4.946 -4.106 1.00 0.00 H new ATOM 299 N ASN A 36 -5.746 3.079 -5.619 1.00 0.00 N ATOM 300 CA ASN A 36 -5.385 2.147 -6.699 1.00 0.00 C ATOM 301 C ASN A 36 -4.431 1.065 -6.190 1.00 0.00 C ATOM 302 O ASN A 36 -4.618 -0.118 -6.465 1.00 0.00 O ATOM 303 CB ASN A 36 -4.777 2.885 -7.901 1.00 0.00 C ATOM 304 CG ASN A 36 -4.534 1.987 -9.092 1.00 0.00 C ATOM 305 OD1 ASN A 36 -5.240 1.003 -9.310 1.00 0.00 O ATOM 306 ND2 ASN A 36 -3.542 2.339 -9.887 1.00 0.00 N ATOM 0 H ASN A 36 -6.685 2.931 -5.251 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.303 1.665 -7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.443 3.696 -8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.834 3.341 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.336 1.788 -10.720 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.981 3.163 -9.669 1.00 0.00 H new ATOM 313 N TYR A 37 -3.420 1.476 -5.438 1.00 0.00 N ATOM 314 CA TYR A 37 -2.505 0.549 -4.811 1.00 0.00 C ATOM 315 C TYR A 37 -2.739 0.527 -3.300 1.00 0.00 C ATOM 316 O TYR A 37 -3.747 1.046 -2.816 1.00 0.00 O ATOM 317 CB TYR A 37 -1.054 0.919 -5.153 1.00 0.00 C ATOM 318 CG TYR A 37 -0.731 2.389 -5.002 1.00 0.00 C ATOM 319 CD1 TYR A 37 -0.565 2.956 -3.747 1.00 0.00 C ATOM 320 CD2 TYR A 37 -0.587 3.206 -6.116 1.00 0.00 C ATOM 321 CE1 TYR A 37 -0.265 4.295 -3.603 1.00 0.00 C ATOM 322 CE2 TYR A 37 -0.286 4.547 -5.982 1.00 0.00 C ATOM 323 CZ TYR A 37 -0.126 5.089 -4.726 1.00 0.00 C ATOM 324 OH TYR A 37 0.171 6.425 -4.588 1.00 0.00 O ATOM 0 H TYR A 37 -3.216 2.457 -5.249 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.689 -0.455 -5.195 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.385 0.345 -4.512 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.848 0.618 -6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.672 2.339 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.712 2.786 -7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.139 4.720 -2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.176 5.168 -6.859 1.00 0.00 H new ATOM 0 HH TYR A 37 0.235 6.839 -5.474 1.00 0.00 H new ATOM 334 N LEU A 38 -1.818 -0.074 -2.564 1.00 0.00 N ATOM 335 CA LEU A 38 -1.965 -0.214 -1.127 1.00 0.00 C ATOM 336 C LEU A 38 -1.614 1.055 -0.386 1.00 0.00 C ATOM 337 O LEU A 38 -0.803 1.864 -0.836 1.00 0.00 O ATOM 338 CB LEU A 38 -1.067 -1.321 -0.605 1.00 0.00 C ATOM 339 CG LEU A 38 -1.697 -2.704 -0.473 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.897 -2.651 0.451 1.00 0.00 C ATOM 341 CD2 LEU A 38 -2.080 -3.261 -1.833 1.00 0.00 C ATOM 0 H LEU A 38 -0.958 -0.473 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.015 -0.449 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.204 -1.401 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.691 -1.022 0.374 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.958 -3.377 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.336 -3.645 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.582 -2.309 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.637 -1.961 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.527 -4.248 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.799 -2.594 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.190 -3.341 -2.457 1.00 0.00 H new ATOM 353 N THR A 39 -2.237 1.200 0.761 1.00 0.00 N ATOM 354 CA THR A 39 -1.890 2.237 1.705 1.00 0.00 C ATOM 355 C THR A 39 -1.678 1.621 3.083 1.00 0.00 C ATOM 356 O THR A 39 -1.812 0.407 3.246 1.00 0.00 O ATOM 357 CB THR A 39 -2.963 3.336 1.791 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.145 2.830 2.418 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.308 3.858 0.415 1.00 0.00 C ATOM 0 H THR A 39 -3.002 0.599 1.067 1.00 0.00 H new ATOM 0 HA THR A 39 -0.971 2.706 1.352 1.00 0.00 H new ATOM 0 HB THR A 39 -2.559 4.154 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.282 1.896 2.153 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.069 4.634 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.415 4.275 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.690 3.042 -0.199 1.00 0.00 H new ATOM 367 N ALA A 40 -1.394 2.447 4.077 1.00 0.00 N ATOM 368 CA ALA A 40 -1.089 1.947 5.419 1.00 0.00 C ATOM 369 C ALA A 40 -2.290 1.256 6.046 1.00 0.00 C ATOM 370 O ALA A 40 -2.166 0.180 6.627 1.00 0.00 O ATOM 371 CB ALA A 40 -0.618 3.070 6.321 1.00 0.00 C ATOM 0 H ALA A 40 -1.367 3.463 3.987 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.288 1.215 5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.398 2.673 7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.282 3.520 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.399 3.826 6.399 1.00 0.00 H new ATOM 377 N ASN A 41 -3.456 1.879 5.910 1.00 0.00 N ATOM 378 CA ASN A 41 -4.681 1.355 6.508 1.00 0.00 C ATOM 379 C ASN A 41 -5.004 -0.018 5.946 1.00 0.00 C ATOM 380 O ASN A 41 -5.406 -0.922 6.673 1.00 0.00 O ATOM 381 CB ASN A 41 -5.853 2.298 6.251 1.00 0.00 C ATOM 382 CG ASN A 41 -5.801 3.570 7.066 1.00 0.00 C ATOM 383 OD1 ASN A 41 -6.827 4.195 7.328 1.00 0.00 O ATOM 384 ND2 ASN A 41 -4.624 3.946 7.496 1.00 0.00 N ATOM 0 H ASN A 41 -3.580 2.748 5.391 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.520 1.273 7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.874 2.556 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.784 1.775 6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.535 4.784 8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.796 3.401 7.257 1.00 0.00 H new ATOM 391 N ASP A 42 -4.805 -0.170 4.649 1.00 0.00 N ATOM 392 CA ASP A 42 -5.069 -1.437 3.982 1.00 0.00 C ATOM 393 C ASP A 42 -4.065 -2.494 4.424 1.00 0.00 C ATOM 394 O ASP A 42 -4.408 -3.662 4.536 1.00 0.00 O ATOM 395 CB ASP A 42 -5.030 -1.276 2.462 1.00 0.00 C ATOM 396 CG ASP A 42 -5.974 -0.204 1.958 1.00 0.00 C ATOM 397 OD1 ASP A 42 -7.200 -0.433 1.950 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.486 0.877 1.565 1.00 0.00 O ATOM 0 H ASP A 42 -4.461 0.568 4.034 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.070 -1.762 4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.013 -1.032 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.285 -2.227 1.994 1.00 0.00 H new ATOM 403 N VAL A 43 -2.833 -2.077 4.703 1.00 0.00 N ATOM 404 CA VAL A 43 -1.791 -2.999 5.160 1.00 0.00 C ATOM 405 C VAL A 43 -2.215 -3.738 6.430 1.00 0.00 C ATOM 406 O VAL A 43 -1.938 -4.923 6.590 1.00 0.00 O ATOM 407 CB VAL A 43 -0.451 -2.272 5.426 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.533 -3.191 6.129 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.158 -1.785 4.137 1.00 0.00 C ATOM 0 H VAL A 43 -2.529 -1.107 4.621 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.648 -3.719 4.354 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.663 -1.417 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.467 -2.658 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.113 -3.512 7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.726 -4.064 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.099 -1.277 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.343 -2.634 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.527 -1.091 3.650 1.00 0.00 H new ATOM 419 N SER A 44 -2.909 -3.039 7.317 1.00 0.00 N ATOM 420 CA SER A 44 -3.321 -3.609 8.599 1.00 0.00 C ATOM 421 C SER A 44 -4.297 -4.775 8.411 1.00 0.00 C ATOM 422 O SER A 44 -4.577 -5.529 9.345 1.00 0.00 O ATOM 423 CB SER A 44 -3.957 -2.529 9.462 1.00 0.00 C ATOM 424 OG SER A 44 -5.221 -2.128 8.963 1.00 0.00 O ATOM 0 H SER A 44 -3.201 -2.072 7.175 1.00 0.00 H new ATOM 0 HA SER A 44 -2.432 -3.998 9.096 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.070 -2.899 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.294 -1.665 9.508 1.00 0.00 H new ATOM 0 HG SER A 44 -5.098 -1.607 8.142 1.00 0.00 H new ATOM 430 N LYS A 45 -4.800 -4.908 7.190 1.00 0.00 N ATOM 431 CA LYS A 45 -5.783 -5.928 6.853 1.00 0.00 C ATOM 432 C LYS A 45 -5.151 -7.309 6.691 1.00 0.00 C ATOM 433 O LYS A 45 -5.862 -8.313 6.641 1.00 0.00 O ATOM 434 CB LYS A 45 -6.497 -5.540 5.569 1.00 0.00 C ATOM 435 CG LYS A 45 -7.274 -4.238 5.679 1.00 0.00 C ATOM 436 CD LYS A 45 -7.853 -3.840 4.335 1.00 0.00 C ATOM 437 CE LYS A 45 -8.838 -4.878 3.842 1.00 0.00 C ATOM 438 NZ LYS A 45 -9.118 -4.731 2.389 1.00 0.00 N ATOM 0 H LYS A 45 -4.537 -4.311 6.406 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.493 -5.987 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.764 -5.450 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.181 -6.340 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.077 -4.349 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.618 -3.448 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.350 -2.873 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.049 -3.722 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.442 -5.875 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.769 -4.790 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.046 -5.147 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.123 -3.722 2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.381 -5.221 1.842 1.00 0.00 H new ATOM 452 N ILE A 46 -3.826 -7.367 6.581 1.00 0.00 N ATOM 453 CA ILE A 46 -3.149 -8.635 6.421 1.00 0.00 C ATOM 454 C ILE A 46 -2.466 -9.100 7.690 1.00 0.00 C ATOM 455 O ILE A 46 -2.547 -8.466 8.742 1.00 0.00 O ATOM 456 CB ILE A 46 -2.101 -8.619 5.296 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.065 -7.508 5.489 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.784 -8.501 3.953 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.120 -7.644 4.559 1.00 0.00 C ATOM 0 H ILE A 46 -3.211 -6.554 6.600 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.946 -9.331 6.161 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.557 -9.563 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.541 -6.541 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.714 -7.520 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.033 -8.490 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.451 -9.351 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.361 -7.577 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.821 -6.829 4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.617 -8.597 4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.222 -7.604 3.525 1.00 0.00 H new ATOM 471 N ARG A 47 -1.784 -10.227 7.553 1.00 0.00 N ATOM 472 CA ARG A 47 -1.102 -10.876 8.652 1.00 0.00 C ATOM 473 C ARG A 47 -0.281 -12.028 8.113 1.00 0.00 C ATOM 474 O ARG A 47 -0.628 -12.623 7.090 1.00 0.00 O ATOM 475 CB ARG A 47 -2.100 -11.395 9.696 1.00 0.00 C ATOM 476 CG ARG A 47 -2.979 -12.541 9.209 1.00 0.00 C ATOM 477 CD ARG A 47 -4.136 -12.050 8.353 1.00 0.00 C ATOM 478 NE ARG A 47 -5.010 -11.125 9.073 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.255 -10.837 8.699 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.808 -11.464 7.668 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.953 -9.927 9.365 1.00 0.00 N ATOM 0 H ARG A 47 -1.690 -10.719 6.664 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.454 -10.148 9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.548 -11.725 10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.740 -10.571 10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.374 -13.242 8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.370 -13.088 10.067 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.743 -11.556 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.719 -12.905 8.011 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.644 -10.674 9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.279 -12.171 7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.762 -11.239 7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.536 -9.448 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.907 -9.706 9.079 1.00 0.00 H new ATOM 495 N VAL A 48 0.809 -12.327 8.792 1.00 0.00 N ATOM 496 CA VAL A 48 1.704 -13.385 8.379 1.00 0.00 C ATOM 497 C VAL A 48 1.052 -14.742 8.606 1.00 0.00 C ATOM 498 O VAL A 48 0.321 -14.927 9.580 1.00 0.00 O ATOM 499 CB VAL A 48 3.015 -13.325 9.164 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.166 -13.821 8.311 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.273 -11.912 9.649 1.00 0.00 C ATOM 0 H VAL A 48 1.097 -11.844 9.643 1.00 0.00 H new ATOM 0 HA VAL A 48 1.916 -13.250 7.318 1.00 0.00 H new ATOM 0 HB VAL A 48 2.932 -13.976 10.034 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.092 -13.772 8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.979 -14.852 8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.256 -13.196 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.209 -11.884 10.206 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.340 -11.240 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.456 -11.595 10.297 1.00 0.00 H new ATOM 511 N GLY A 49 1.318 -15.683 7.716 1.00 0.00 N ATOM 512 CA GLY A 49 0.725 -16.997 7.836 1.00 0.00 C ATOM 513 C GLY A 49 -0.099 -17.372 6.625 1.00 0.00 C ATOM 514 O GLY A 49 -0.172 -18.547 6.262 1.00 0.00 O ATOM 0 H GLY A 49 1.934 -15.561 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.513 -17.736 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.094 -17.028 8.725 1.00 0.00 H new ATOM 518 N MET A 50 -0.722 -16.383 5.990 1.00 0.00 N ATOM 519 CA MET A 50 -1.523 -16.649 4.801 1.00 0.00 C ATOM 520 C MET A 50 -0.676 -16.594 3.536 1.00 0.00 C ATOM 521 O MET A 50 0.524 -16.319 3.588 1.00 0.00 O ATOM 522 CB MET A 50 -2.728 -15.711 4.684 1.00 0.00 C ATOM 523 CG MET A 50 -2.436 -14.243 4.911 1.00 0.00 C ATOM 524 SD MET A 50 -3.912 -13.223 4.695 1.00 0.00 S ATOM 525 CE MET A 50 -3.207 -11.589 4.807 1.00 0.00 C ATOM 0 H MET A 50 -0.689 -15.404 6.274 1.00 0.00 H new ATOM 0 HA MET A 50 -1.911 -17.661 4.912 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.162 -15.828 3.691 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.484 -16.028 5.402 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.041 -14.102 5.917 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.663 -13.915 4.217 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.848 -10.958 5.423 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.217 -11.650 5.258 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.125 -11.159 3.809 1.00 0.00 H new ATOM 535 N THR A 51 -1.310 -16.856 2.403 1.00 0.00 N ATOM 536 CA THR A 51 -0.596 -17.022 1.145 1.00 0.00 C ATOM 537 C THR A 51 -0.458 -15.710 0.399 1.00 0.00 C ATOM 538 O THR A 51 -0.883 -14.655 0.881 1.00 0.00 O ATOM 539 CB THR A 51 -1.315 -18.012 0.217 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.555 -17.455 -0.242 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.581 -19.302 0.941 1.00 0.00 C ATOM 0 H THR A 51 -2.322 -16.959 2.329 1.00 0.00 H new ATOM 0 HA THR A 51 0.390 -17.403 1.409 1.00 0.00 H new ATOM 0 HB THR A 51 -0.673 -18.208 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.002 -18.095 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.091 -19.996 0.273 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.636 -19.739 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.209 -19.108 1.811 1.00 0.00 H new ATOM 549 N GLN A 52 0.127 -15.785 -0.786 1.00 0.00 N ATOM 550 CA GLN A 52 0.156 -14.655 -1.683 1.00 0.00 C ATOM 551 C GLN A 52 -1.256 -14.337 -2.144 1.00 0.00 C ATOM 552 O GLN A 52 -1.663 -13.178 -2.188 1.00 0.00 O ATOM 553 CB GLN A 52 1.037 -14.951 -2.892 1.00 0.00 C ATOM 554 CG GLN A 52 2.459 -15.325 -2.528 1.00 0.00 C ATOM 555 CD GLN A 52 3.404 -15.285 -3.711 1.00 0.00 C ATOM 556 OE1 GLN A 52 3.587 -16.276 -4.416 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.014 -14.135 -3.932 1.00 0.00 N ATOM 0 H GLN A 52 0.588 -16.622 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 52 0.571 -13.798 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.592 -15.764 -3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.055 -14.076 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.822 -14.645 -1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.466 -16.327 -2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.834 -13.337 -3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.665 -14.045 -4.712 1.00 0.00 H new ATOM 566 N GLN A 53 -2.006 -15.387 -2.462 1.00 0.00 N ATOM 567 CA GLN A 53 -3.375 -15.247 -2.913 1.00 0.00 C ATOM 568 C GLN A 53 -4.225 -14.550 -1.871 1.00 0.00 C ATOM 569 O GLN A 53 -5.101 -13.752 -2.203 1.00 0.00 O ATOM 570 CB GLN A 53 -3.944 -16.621 -3.217 1.00 0.00 C ATOM 571 CG GLN A 53 -4.211 -16.822 -4.684 1.00 0.00 C ATOM 572 CD GLN A 53 -5.630 -16.454 -5.080 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.167 -16.982 -6.053 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.266 -15.571 -4.313 1.00 0.00 N ATOM 0 H GLN A 53 -1.679 -16.352 -2.413 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.385 -14.635 -3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.247 -17.384 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.871 -16.758 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.510 -16.220 -5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.025 -17.864 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.789 -15.153 -3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.230 -15.313 -4.524 1.00 0.00 H new ATOM 583 N GLN A 54 -3.957 -14.853 -0.616 1.00 0.00 N ATOM 584 CA GLN A 54 -4.696 -14.251 0.472 1.00 0.00 C ATOM 585 C GLN A 54 -4.381 -12.762 0.566 1.00 0.00 C ATOM 586 O GLN A 54 -5.283 -11.927 0.576 1.00 0.00 O ATOM 587 CB GLN A 54 -4.348 -14.921 1.796 1.00 0.00 C ATOM 588 CG GLN A 54 -4.522 -16.431 1.815 1.00 0.00 C ATOM 589 CD GLN A 54 -5.642 -16.881 2.727 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.643 -16.187 2.895 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.457 -18.033 3.352 1.00 0.00 N ATOM 0 H GLN A 54 -3.234 -15.512 -0.327 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.759 -14.387 0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.313 -14.686 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.970 -14.488 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.721 -16.782 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.590 -16.896 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.610 -18.576 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.161 -18.378 4.004 1.00 0.00 H new ATOM 600 N VAL A 55 -3.093 -12.432 0.617 1.00 0.00 N ATOM 601 CA VAL A 55 -2.670 -11.053 0.764 1.00 0.00 C ATOM 602 C VAL A 55 -3.061 -10.212 -0.442 1.00 0.00 C ATOM 603 O VAL A 55 -3.499 -9.079 -0.288 1.00 0.00 O ATOM 604 CB VAL A 55 -1.156 -10.946 0.988 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.731 -9.490 0.999 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.775 -11.605 2.291 1.00 0.00 C ATOM 0 H VAL A 55 -2.329 -13.105 0.558 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.185 -10.667 1.644 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.645 -11.457 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.345 -9.426 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.984 -9.030 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.249 -8.966 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.302 -11.523 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.293 -11.112 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.058 -12.657 2.263 1.00 0.00 H new ATOM 616 N ALA A 56 -2.914 -10.769 -1.638 1.00 0.00 N ATOM 617 CA ALA A 56 -3.270 -10.049 -2.857 1.00 0.00 C ATOM 618 C ALA A 56 -4.734 -9.644 -2.818 1.00 0.00 C ATOM 619 O ALA A 56 -5.121 -8.613 -3.353 1.00 0.00 O ATOM 620 CB ALA A 56 -3.001 -10.898 -4.090 1.00 0.00 C ATOM 0 H ALA A 56 -2.553 -11.711 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.651 -9.154 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.275 -10.338 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.942 -11.153 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.593 -11.812 -4.039 1.00 0.00 H new ATOM 626 N TYR A 57 -5.543 -10.478 -2.197 1.00 0.00 N ATOM 627 CA TYR A 57 -6.959 -10.208 -2.067 1.00 0.00 C ATOM 628 C TYR A 57 -7.260 -9.258 -0.904 1.00 0.00 C ATOM 629 O TYR A 57 -8.108 -8.372 -1.021 1.00 0.00 O ATOM 630 CB TYR A 57 -7.708 -11.520 -1.929 1.00 0.00 C ATOM 631 CG TYR A 57 -8.032 -12.145 -3.267 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.184 -11.977 -4.367 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.195 -12.879 -3.441 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.497 -12.530 -5.590 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.511 -13.431 -4.664 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.661 -13.254 -5.733 1.00 0.00 C ATOM 637 OH TYR A 57 -8.981 -13.802 -6.956 1.00 0.00 O ATOM 0 H TYR A 57 -5.240 -11.354 -1.772 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.300 -9.697 -2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.109 -12.216 -1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.633 -11.351 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.273 -11.407 -4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.864 -13.021 -2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.834 -12.397 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.421 -14.000 -4.783 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.833 -14.282 -6.887 1.00 0.00 H new ATOM 647 N ALA A 58 -6.559 -9.450 0.211 1.00 0.00 N ATOM 648 CA ALA A 58 -6.744 -8.627 1.403 1.00 0.00 C ATOM 649 C ALA A 58 -6.237 -7.214 1.176 1.00 0.00 C ATOM 650 O ALA A 58 -6.858 -6.232 1.580 1.00 0.00 O ATOM 651 CB ALA A 58 -5.999 -9.239 2.572 1.00 0.00 C ATOM 0 H ALA A 58 -5.850 -10.177 0.313 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.811 -8.586 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.141 -8.620 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.383 -10.241 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.936 -9.297 2.336 1.00 0.00 H new ATOM 657 N LEU A 59 -5.091 -7.142 0.535 1.00 0.00 N ATOM 658 CA LEU A 59 -4.393 -5.897 0.316 1.00 0.00 C ATOM 659 C LEU A 59 -4.777 -5.286 -1.019 1.00 0.00 C ATOM 660 O LEU A 59 -5.241 -4.150 -1.096 1.00 0.00 O ATOM 661 CB LEU A 59 -2.887 -6.181 0.357 1.00 0.00 C ATOM 662 CG LEU A 59 -2.111 -5.446 1.432 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.914 -5.422 2.707 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.795 -6.134 1.657 1.00 0.00 C ATOM 0 H LEU A 59 -4.614 -7.956 0.148 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.665 -5.183 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.741 -7.252 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.461 -5.925 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.924 -4.420 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.355 -4.893 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.861 -4.912 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.108 -6.444 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.236 -5.606 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.971 -7.162 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.221 -6.134 0.730 1.00 0.00 H new ATOM 676 N GLY A 60 -4.610 -6.073 -2.061 1.00 0.00 N ATOM 677 CA GLY A 60 -4.754 -5.581 -3.407 1.00 0.00 C ATOM 678 C GLY A 60 -3.583 -6.032 -4.239 1.00 0.00 C ATOM 679 O GLY A 60 -2.442 -5.981 -3.780 1.00 0.00 O ATOM 0 H GLY A 60 -4.373 -7.063 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.684 -5.948 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.812 -4.493 -3.403 1.00 0.00 H new ATOM 683 N THR A 61 -3.855 -6.511 -5.436 1.00 0.00 N ATOM 684 CA THR A 61 -2.814 -7.020 -6.293 1.00 0.00 C ATOM 685 C THR A 61 -1.872 -5.904 -6.746 1.00 0.00 C ATOM 686 O THR A 61 -2.308 -4.811 -7.121 1.00 0.00 O ATOM 687 CB THR A 61 -3.422 -7.758 -7.496 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.407 -6.935 -8.138 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.069 -9.058 -7.032 1.00 0.00 C ATOM 0 H THR A 61 -4.793 -6.557 -5.835 1.00 0.00 H new ATOM 0 HA THR A 61 -2.221 -7.733 -5.720 1.00 0.00 H new ATOM 0 HB THR A 61 -2.627 -7.981 -8.207 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.786 -7.415 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.498 -9.577 -7.889 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.316 -9.692 -6.564 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.856 -8.836 -6.311 1.00 0.00 H new ATOM 697 N PRO A 62 -0.561 -6.191 -6.701 1.00 0.00 N ATOM 698 CA PRO A 62 0.505 -5.222 -6.978 1.00 0.00 C ATOM 699 C PRO A 62 0.523 -4.741 -8.415 1.00 0.00 C ATOM 700 O PRO A 62 -0.262 -5.196 -9.248 1.00 0.00 O ATOM 701 CB PRO A 62 1.800 -5.985 -6.657 1.00 0.00 C ATOM 702 CG PRO A 62 1.372 -7.193 -5.899 1.00 0.00 C ATOM 703 CD PRO A 62 -0.009 -7.513 -6.385 1.00 0.00 C ATOM 0 HA PRO A 62 0.367 -4.318 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.329 -6.261 -7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.481 -5.372 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.052 -8.027 -6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.374 -7.002 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.011 -8.162 -7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.597 -8.024 -5.623 1.00 0.00 H new ATOM 711 N LEU A 63 1.400 -3.786 -8.675 1.00 0.00 N ATOM 712 CA LEU A 63 1.576 -3.202 -9.997 1.00 0.00 C ATOM 713 C LEU A 63 1.648 -4.297 -11.055 1.00 0.00 C ATOM 714 O LEU A 63 0.964 -4.237 -12.081 1.00 0.00 O ATOM 715 CB LEU A 63 2.858 -2.383 -9.990 1.00 0.00 C ATOM 716 CG LEU A 63 3.037 -1.527 -8.738 1.00 0.00 C ATOM 717 CD1 LEU A 63 4.491 -1.120 -8.585 1.00 0.00 C ATOM 718 CD2 LEU A 63 2.144 -0.297 -8.797 1.00 0.00 C ATOM 0 H LEU A 63 2.018 -3.389 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 63 0.728 -2.561 -10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.709 -3.058 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.869 -1.735 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 63 2.746 -2.118 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.606 -0.510 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.111 -2.012 -8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.802 -0.545 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.286 0.300 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.403 0.299 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.101 -0.607 -8.866 1.00 0.00 H new ATOM 730 N MET A 64 2.474 -5.298 -10.790 1.00 0.00 N ATOM 731 CA MET A 64 2.485 -6.502 -11.603 1.00 0.00 C ATOM 732 C MET A 64 1.161 -7.245 -11.435 1.00 0.00 C ATOM 733 O MET A 64 0.749 -7.551 -10.316 1.00 0.00 O ATOM 734 CB MET A 64 3.656 -7.414 -11.223 1.00 0.00 C ATOM 735 CG MET A 64 3.765 -7.713 -9.735 1.00 0.00 C ATOM 736 SD MET A 64 4.632 -6.434 -8.819 1.00 0.00 S ATOM 737 CE MET A 64 4.962 -7.355 -7.326 1.00 0.00 C ATOM 0 H MET A 64 3.143 -5.300 -10.020 1.00 0.00 H new ATOM 0 HA MET A 64 2.610 -6.214 -12.647 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.557 -8.355 -11.764 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.584 -6.950 -11.557 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.764 -7.833 -9.321 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.282 -8.663 -9.599 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.493 -6.855 -6.479 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.556 -8.362 -7.423 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.038 -7.411 -7.164 1.00 0.00 H new ATOM 747 N SER A 65 0.509 -7.547 -12.552 1.00 0.00 N ATOM 748 CA SER A 65 -0.831 -8.121 -12.538 1.00 0.00 C ATOM 749 C SER A 65 -0.829 -9.547 -11.995 1.00 0.00 C ATOM 750 O SER A 65 -1.885 -10.145 -11.780 1.00 0.00 O ATOM 751 CB SER A 65 -1.425 -8.088 -13.950 1.00 0.00 C ATOM 752 OG SER A 65 -2.784 -8.488 -13.952 1.00 0.00 O ATOM 0 H SER A 65 0.891 -7.402 -13.487 1.00 0.00 H new ATOM 0 HA SER A 65 -1.449 -7.519 -11.871 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.341 -7.081 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.850 -8.745 -14.603 1.00 0.00 H new ATOM 0 HG SER A 65 -2.907 -9.233 -13.327 1.00 0.00 H new ATOM 758 N ASP A 66 0.354 -10.080 -11.773 1.00 0.00 N ATOM 759 CA ASP A 66 0.505 -11.409 -11.210 1.00 0.00 C ATOM 760 C ASP A 66 1.322 -11.346 -9.921 1.00 0.00 C ATOM 761 O ASP A 66 2.549 -11.400 -9.931 1.00 0.00 O ATOM 762 CB ASP A 66 1.137 -12.372 -12.227 1.00 0.00 C ATOM 763 CG ASP A 66 2.504 -11.932 -12.732 1.00 0.00 C ATOM 764 OD1 ASP A 66 2.596 -10.861 -13.374 1.00 0.00 O ATOM 765 OD2 ASP A 66 3.488 -12.667 -12.505 1.00 0.00 O ATOM 0 H ASP A 66 1.235 -9.608 -11.976 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.484 -11.797 -10.968 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.230 -13.357 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.464 -12.478 -13.078 1.00 0.00 H new ATOM 770 N PRO A 67 0.632 -11.220 -8.777 1.00 0.00 N ATOM 771 CA PRO A 67 1.279 -11.131 -7.462 1.00 0.00 C ATOM 772 C PRO A 67 2.121 -12.370 -7.147 1.00 0.00 C ATOM 773 O PRO A 67 3.197 -12.274 -6.555 1.00 0.00 O ATOM 774 CB PRO A 67 0.098 -11.018 -6.483 1.00 0.00 C ATOM 775 CG PRO A 67 -1.098 -11.493 -7.241 1.00 0.00 C ATOM 776 CD PRO A 67 -0.835 -11.140 -8.678 1.00 0.00 C ATOM 0 HA PRO A 67 1.973 -10.292 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.266 -11.626 -5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.035 -9.990 -6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.236 -12.567 -7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.007 -11.012 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.324 -11.836 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.202 -10.143 -8.922 1.00 0.00 H new ATOM 784 N PHE A 68 1.639 -13.526 -7.582 1.00 0.00 N ATOM 785 CA PHE A 68 2.299 -14.789 -7.305 1.00 0.00 C ATOM 786 C PHE A 68 3.423 -15.072 -8.300 1.00 0.00 C ATOM 787 O PHE A 68 3.981 -16.171 -8.314 1.00 0.00 O ATOM 788 CB PHE A 68 1.276 -15.926 -7.319 1.00 0.00 C ATOM 789 CG PHE A 68 0.167 -15.743 -8.316 1.00 0.00 C ATOM 790 CD1 PHE A 68 0.355 -16.049 -9.654 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.065 -15.265 -7.907 1.00 0.00 C ATOM 792 CE1 PHE A 68 -0.668 -15.879 -10.567 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.092 -15.092 -8.814 1.00 0.00 C ATOM 794 CZ PHE A 68 -1.892 -15.398 -10.147 1.00 0.00 C ATOM 0 H PHE A 68 0.785 -13.612 -8.133 1.00 0.00 H new ATOM 0 HA PHE A 68 2.750 -14.721 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.792 -16.862 -7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.843 -16.022 -6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.311 -16.424 -9.987 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.226 -15.024 -6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.510 -16.122 -11.607 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.050 -14.718 -8.482 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.692 -15.261 -10.859 1.00 0.00 H new ATOM 804 N GLY A 69 3.754 -14.085 -9.127 1.00 0.00 N ATOM 805 CA GLY A 69 4.852 -14.242 -10.062 1.00 0.00 C ATOM 806 C GLY A 69 6.159 -13.835 -9.427 1.00 0.00 C ATOM 807 O GLY A 69 7.239 -14.172 -9.910 1.00 0.00 O ATOM 0 H GLY A 69 3.282 -13.181 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.910 -15.280 -10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.669 -13.636 -10.949 1.00 0.00 H new ATOM 811 N THR A 70 6.047 -13.100 -8.334 1.00 0.00 N ATOM 812 CA THR A 70 7.194 -12.672 -7.563 1.00 0.00 C ATOM 813 C THR A 70 7.017 -13.131 -6.119 1.00 0.00 C ATOM 814 O THR A 70 5.976 -13.694 -5.768 1.00 0.00 O ATOM 815 CB THR A 70 7.354 -11.136 -7.603 1.00 0.00 C ATOM 816 OG1 THR A 70 8.629 -10.753 -7.071 1.00 0.00 O ATOM 817 CG2 THR A 70 6.255 -10.467 -6.803 1.00 0.00 C ATOM 0 H THR A 70 5.153 -12.784 -7.958 1.00 0.00 H new ATOM 0 HA THR A 70 8.091 -13.115 -7.995 1.00 0.00 H new ATOM 0 HB THR A 70 7.286 -10.815 -8.642 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.718 -9.778 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.383 -9.385 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.285 -10.733 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.305 -10.801 -5.767 1.00 0.00 H new ATOM 825 N ASN A 71 8.024 -12.909 -5.293 1.00 0.00 N ATOM 826 CA ASN A 71 7.940 -13.253 -3.879 1.00 0.00 C ATOM 827 C ASN A 71 8.248 -12.031 -3.023 1.00 0.00 C ATOM 828 O ASN A 71 8.389 -12.134 -1.803 1.00 0.00 O ATOM 829 CB ASN A 71 8.899 -14.397 -3.530 1.00 0.00 C ATOM 830 CG ASN A 71 10.362 -14.004 -3.653 1.00 0.00 C ATOM 831 OD1 ASN A 71 10.965 -14.135 -4.717 1.00 0.00 O ATOM 832 ND2 ASN A 71 10.948 -13.542 -2.559 1.00 0.00 N ATOM 0 H ASN A 71 8.911 -12.492 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 71 6.924 -13.588 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.703 -14.730 -2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.700 -15.244 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.934 -13.280 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.414 -13.448 -1.695 1.00 0.00 H new ATOM 839 N THR A 72 8.363 -10.882 -3.677 1.00 0.00 N ATOM 840 CA THR A 72 8.653 -9.636 -3.000 1.00 0.00 C ATOM 841 C THR A 72 7.683 -8.546 -3.456 1.00 0.00 C ATOM 842 O THR A 72 7.716 -8.116 -4.610 1.00 0.00 O ATOM 843 CB THR A 72 10.090 -9.194 -3.292 1.00 0.00 C ATOM 844 OG1 THR A 72 10.975 -10.319 -3.193 1.00 0.00 O ATOM 845 CG2 THR A 72 10.523 -8.133 -2.308 1.00 0.00 C ATOM 0 H THR A 72 8.257 -10.793 -4.688 1.00 0.00 H new ATOM 0 HA THR A 72 8.537 -9.794 -1.928 1.00 0.00 H new ATOM 0 HB THR A 72 10.129 -8.784 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.892 -10.031 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.546 -7.829 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.862 -7.270 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.473 -8.534 -1.296 1.00 0.00 H new ATOM 853 N TRP A 73 6.815 -8.117 -2.554 1.00 0.00 N ATOM 854 CA TRP A 73 5.787 -7.133 -2.884 1.00 0.00 C ATOM 855 C TRP A 73 6.136 -5.775 -2.291 1.00 0.00 C ATOM 856 O TRP A 73 6.677 -5.708 -1.192 1.00 0.00 O ATOM 857 CB TRP A 73 4.432 -7.613 -2.359 1.00 0.00 C ATOM 858 CG TRP A 73 3.936 -8.839 -3.057 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.526 -9.478 -4.107 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.746 -9.571 -2.764 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.783 -10.566 -4.478 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.681 -10.641 -3.672 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.726 -9.426 -1.825 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.644 -11.562 -3.661 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.696 -10.341 -1.820 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.660 -11.394 -2.734 1.00 0.00 C ATOM 0 H TRP A 73 6.799 -8.433 -1.584 1.00 0.00 H new ATOM 0 HA TRP A 73 5.733 -7.025 -3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.514 -7.817 -1.291 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.700 -6.814 -2.475 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.448 -9.170 -4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.013 -11.214 -5.231 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.743 -8.612 -1.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.618 -12.383 -4.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.098 -10.241 -1.095 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.165 -12.090 -2.706 1.00 0.00 H new ATOM 877 N PHE A 74 5.837 -4.699 -3.017 1.00 0.00 N ATOM 878 CA PHE A 74 6.161 -3.353 -2.541 1.00 0.00 C ATOM 879 C PHE A 74 4.907 -2.489 -2.486 1.00 0.00 C ATOM 880 O PHE A 74 4.281 -2.222 -3.512 1.00 0.00 O ATOM 881 CB PHE A 74 7.196 -2.681 -3.449 1.00 0.00 C ATOM 882 CG PHE A 74 8.346 -3.571 -3.834 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.248 -4.021 -2.884 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.518 -3.959 -5.153 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.299 -4.844 -3.244 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.567 -4.779 -5.517 1.00 0.00 C ATOM 887 CZ PHE A 74 10.459 -5.222 -4.562 1.00 0.00 C ATOM 0 H PHE A 74 5.376 -4.730 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 74 6.580 -3.451 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.699 -2.336 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.587 -1.798 -2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.129 -3.726 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.823 -3.616 -5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.995 -5.191 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.690 -5.074 -6.549 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.281 -5.863 -4.845 1.00 0.00 H new ATOM 897 N TYR A 75 4.540 -2.065 -1.287 1.00 0.00 N ATOM 898 CA TYR A 75 3.375 -1.211 -1.097 1.00 0.00 C ATOM 899 C TYR A 75 3.762 0.064 -0.355 1.00 0.00 C ATOM 900 O TYR A 75 4.873 0.169 0.162 1.00 0.00 O ATOM 901 CB TYR A 75 2.297 -1.964 -0.320 1.00 0.00 C ATOM 902 CG TYR A 75 1.867 -3.250 -0.980 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.440 -3.262 -2.302 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.881 -4.446 -0.281 1.00 0.00 C ATOM 905 CE1 TYR A 75 1.039 -4.433 -2.909 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.483 -5.625 -0.883 1.00 0.00 C ATOM 907 CZ TYR A 75 1.063 -5.609 -2.197 1.00 0.00 C ATOM 908 OH TYR A 75 0.655 -6.773 -2.797 1.00 0.00 O ATOM 0 H TYR A 75 5.034 -2.299 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 75 2.982 -0.936 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.669 -2.185 0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.428 -1.317 -0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.422 -2.339 -2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.207 -4.457 0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.708 -4.427 -3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.501 -6.552 -0.329 1.00 0.00 H new ATOM 0 HH TYR A 75 1.094 -7.535 -2.365 1.00 0.00 H new ATOM 918 N VAL A 76 2.839 1.018 -0.292 1.00 0.00 N ATOM 919 CA VAL A 76 3.117 2.322 0.303 1.00 0.00 C ATOM 920 C VAL A 76 2.164 2.577 1.475 1.00 0.00 C ATOM 921 O VAL A 76 1.114 1.947 1.573 1.00 0.00 O ATOM 922 CB VAL A 76 2.971 3.455 -0.752 1.00 0.00 C ATOM 923 CG1 VAL A 76 3.365 4.808 -0.178 1.00 0.00 C ATOM 924 CG2 VAL A 76 3.800 3.147 -1.991 1.00 0.00 C ATOM 0 H VAL A 76 1.889 0.913 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 76 4.144 2.320 0.667 1.00 0.00 H new ATOM 0 HB VAL A 76 1.920 3.504 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.250 5.575 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.723 5.044 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.404 4.775 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.683 3.952 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.850 3.058 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.461 2.210 -2.432 1.00 0.00 H new ATOM 934 N PHE A 77 2.553 3.477 2.372 1.00 0.00 N ATOM 935 CA PHE A 77 1.713 3.864 3.498 1.00 0.00 C ATOM 936 C PHE A 77 0.778 5.004 3.109 1.00 0.00 C ATOM 937 O PHE A 77 1.019 5.709 2.137 1.00 0.00 O ATOM 938 CB PHE A 77 2.583 4.264 4.691 1.00 0.00 C ATOM 939 CG PHE A 77 2.725 3.172 5.712 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.563 1.843 5.356 1.00 0.00 C ATOM 941 CD2 PHE A 77 2.998 3.478 7.034 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.674 0.840 6.298 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.107 2.481 7.980 1.00 0.00 C ATOM 944 CZ PHE A 77 2.946 1.161 7.612 1.00 0.00 C ATOM 0 H PHE A 77 3.453 3.955 2.339 1.00 0.00 H new ATOM 0 HA PHE A 77 1.101 3.008 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.572 4.548 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.152 5.144 5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.347 1.588 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.127 4.509 7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.548 -0.193 6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.318 2.733 9.009 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.033 0.379 8.352 1.00 0.00 H new ATOM 954 N ARG A 78 -0.279 5.183 3.894 1.00 0.00 N ATOM 955 CA ARG A 78 -1.367 6.077 3.540 1.00 0.00 C ATOM 956 C ARG A 78 -1.052 7.516 3.929 1.00 0.00 C ATOM 957 O ARG A 78 -0.807 7.816 5.099 1.00 0.00 O ATOM 958 CB ARG A 78 -2.663 5.591 4.199 1.00 0.00 C ATOM 959 CG ARG A 78 -3.820 6.543 4.066 1.00 0.00 C ATOM 960 CD ARG A 78 -5.130 5.900 4.510 1.00 0.00 C ATOM 961 NE ARG A 78 -5.534 4.801 3.624 1.00 0.00 N ATOM 962 CZ ARG A 78 -6.803 4.434 3.391 1.00 0.00 C ATOM 963 NH1 ARG A 78 -7.812 5.062 3.984 1.00 0.00 N ATOM 964 NH2 ARG A 78 -7.055 3.425 2.564 1.00 0.00 N ATOM 0 H ARG A 78 -0.402 4.712 4.790 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.496 6.063 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.943 4.634 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.474 5.413 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.630 7.434 4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.907 6.869 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.022 5.524 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.915 6.656 4.531 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.796 4.279 3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.626 5.833 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.772 4.773 3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.285 2.933 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.018 3.142 2.383 1.00 0.00 H new ATOM 978 N GLN A 79 -1.075 8.381 2.923 1.00 0.00 N ATOM 979 CA GLN A 79 -0.757 9.793 3.057 1.00 0.00 C ATOM 980 C GLN A 79 0.662 10.001 3.573 1.00 0.00 C ATOM 981 O GLN A 79 0.911 10.110 4.778 1.00 0.00 O ATOM 982 CB GLN A 79 -1.786 10.489 3.927 1.00 0.00 C ATOM 983 CG GLN A 79 -1.489 11.960 4.188 1.00 0.00 C ATOM 984 CD GLN A 79 -1.497 12.791 2.921 1.00 0.00 C ATOM 985 OE1 GLN A 79 -2.224 12.497 1.970 1.00 0.00 O ATOM 986 NE2 GLN A 79 -0.684 13.833 2.893 1.00 0.00 N ATOM 0 H GLN A 79 -1.321 8.112 1.970 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.798 10.247 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.763 10.406 3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.851 9.968 4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.228 12.358 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.516 12.050 4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.097 14.044 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.643 14.426 2.064 1.00 0.00 H new ATOM 995 N GLN A 80 1.589 10.028 2.635 1.00 0.00 N ATOM 996 CA GLN A 80 2.980 10.290 2.922 1.00 0.00 C ATOM 997 C GLN A 80 3.410 11.641 2.355 1.00 0.00 C ATOM 998 O GLN A 80 2.743 12.184 1.476 1.00 0.00 O ATOM 999 CB GLN A 80 3.842 9.164 2.345 1.00 0.00 C ATOM 1000 CG GLN A 80 3.297 8.549 1.061 1.00 0.00 C ATOM 1001 CD GLN A 80 3.084 9.545 -0.068 1.00 0.00 C ATOM 1002 OE1 GLN A 80 2.003 10.108 -0.214 1.00 0.00 O ATOM 1003 NE2 GLN A 80 4.112 9.774 -0.868 1.00 0.00 N ATOM 0 H GLN A 80 1.393 9.867 1.647 1.00 0.00 H new ATOM 0 HA GLN A 80 3.115 10.327 4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.842 9.551 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.943 8.379 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.985 7.775 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.349 8.058 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.995 9.287 -0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.022 10.438 -1.637 1.00 0.00 H new ATOM 1012 N PRO A 81 4.503 12.215 2.873 1.00 0.00 N ATOM 1013 CA PRO A 81 5.090 13.440 2.317 1.00 0.00 C ATOM 1014 C PRO A 81 5.392 13.310 0.833 1.00 0.00 C ATOM 1015 O PRO A 81 4.767 13.954 -0.011 1.00 0.00 O ATOM 1016 CB PRO A 81 6.387 13.599 3.111 1.00 0.00 C ATOM 1017 CG PRO A 81 6.126 12.903 4.399 1.00 0.00 C ATOM 1018 CD PRO A 81 5.223 11.748 4.068 1.00 0.00 C ATOM 0 HA PRO A 81 4.415 14.292 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.231 13.154 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.628 14.650 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 81 7.055 12.555 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.655 13.574 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.790 10.839 3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.540 11.523 4.887 1.00 0.00 H new ATOM 1026 N GLY A 82 6.332 12.444 0.532 1.00 0.00 N ATOM 1027 CA GLY A 82 6.791 12.283 -0.834 1.00 0.00 C ATOM 1028 C GLY A 82 7.551 13.504 -1.312 1.00 0.00 C ATOM 1029 O GLY A 82 8.203 14.174 -0.509 1.00 0.00 O ATOM 0 H GLY A 82 6.795 11.840 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.432 11.404 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.937 12.106 -1.488 1.00 0.00 H new ATOM 1033 N HIS A 83 7.454 13.799 -2.608 1.00 0.00 N ATOM 1034 CA HIS A 83 8.118 14.960 -3.208 1.00 0.00 C ATOM 1035 C HIS A 83 9.641 14.858 -3.062 1.00 0.00 C ATOM 1036 O HIS A 83 10.311 14.251 -3.900 1.00 0.00 O ATOM 1037 CB HIS A 83 7.598 16.277 -2.600 1.00 0.00 C ATOM 1038 CG HIS A 83 6.124 16.493 -2.778 1.00 0.00 C ATOM 1039 ND1 HIS A 83 5.252 16.622 -1.719 1.00 0.00 N ATOM 1040 CD2 HIS A 83 5.369 16.613 -3.895 1.00 0.00 C ATOM 1041 CE1 HIS A 83 4.030 16.808 -2.175 1.00 0.00 C ATOM 1042 NE2 HIS A 83 4.070 16.806 -3.493 1.00 0.00 N ATOM 0 H HIS A 83 6.915 13.243 -3.272 1.00 0.00 H new ATOM 0 HA HIS A 83 7.878 14.965 -4.271 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.830 16.290 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.134 17.111 -3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.723 16.566 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.145 16.940 -1.571 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.268 16.928 -4.112 1.00 0.00 H new ATOM 1051 N GLU A 84 10.175 15.434 -1.988 1.00 0.00 N ATOM 1052 CA GLU A 84 11.594 15.362 -1.680 1.00 0.00 C ATOM 1053 C GLU A 84 11.773 15.170 -0.182 1.00 0.00 C ATOM 1054 O GLU A 84 11.017 15.732 0.613 1.00 0.00 O ATOM 1055 CB GLU A 84 12.314 16.623 -2.138 1.00 0.00 C ATOM 1056 CG GLU A 84 12.523 16.689 -3.637 1.00 0.00 C ATOM 1057 CD GLU A 84 13.211 17.964 -4.067 1.00 0.00 C ATOM 1058 OE1 GLU A 84 14.459 18.004 -4.046 1.00 0.00 O ATOM 1059 OE2 GLU A 84 12.512 18.933 -4.415 1.00 0.00 O ATOM 0 H GLU A 84 9.631 15.964 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 84 12.028 14.516 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.741 17.494 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.283 16.680 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.118 15.833 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.559 16.612 -4.139 1.00 0.00 H new ATOM 1066 N GLY A 85 12.764 14.384 0.204 1.00 0.00 N ATOM 1067 CA GLY A 85 12.894 14.010 1.594 1.00 0.00 C ATOM 1068 C GLY A 85 11.839 12.992 1.947 1.00 0.00 C ATOM 1069 O GLY A 85 11.237 13.035 3.023 1.00 0.00 O ATOM 0 H GLY A 85 13.477 14.000 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.886 13.599 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.791 14.890 2.229 1.00 0.00 H new ATOM 1073 N VAL A 86 11.605 12.085 1.006 1.00 0.00 N ATOM 1074 CA VAL A 86 10.552 11.093 1.121 1.00 0.00 C ATOM 1075 C VAL A 86 10.772 10.206 2.334 1.00 0.00 C ATOM 1076 O VAL A 86 11.897 9.846 2.664 1.00 0.00 O ATOM 1077 CB VAL A 86 10.477 10.205 -0.134 1.00 0.00 C ATOM 1078 CG1 VAL A 86 9.301 9.250 -0.052 1.00 0.00 C ATOM 1079 CG2 VAL A 86 10.401 11.053 -1.395 1.00 0.00 C ATOM 0 H VAL A 86 12.143 12.020 0.142 1.00 0.00 H new ATOM 0 HA VAL A 86 9.614 11.638 1.230 1.00 0.00 H new ATOM 0 HB VAL A 86 11.390 9.611 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.270 8.634 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.412 8.610 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.375 9.819 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.349 10.403 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.512 11.682 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.288 11.683 -1.464 1.00 0.00 H new ATOM 1089 N THR A 87 9.689 9.856 2.989 1.00 0.00 N ATOM 1090 CA THR A 87 9.765 9.003 4.155 1.00 0.00 C ATOM 1091 C THR A 87 8.767 7.852 4.052 1.00 0.00 C ATOM 1092 O THR A 87 8.523 7.150 5.032 1.00 0.00 O ATOM 1093 CB THR A 87 9.517 9.808 5.447 1.00 0.00 C ATOM 1094 OG1 THR A 87 9.819 9.015 6.602 1.00 0.00 O ATOM 1095 CG2 THR A 87 8.073 10.278 5.511 1.00 0.00 C ATOM 0 H THR A 87 8.745 10.148 2.735 1.00 0.00 H new ATOM 0 HA THR A 87 10.772 8.588 4.197 1.00 0.00 H new ATOM 0 HB THR A 87 10.174 10.678 5.435 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.496 8.100 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.915 10.844 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.859 10.913 4.651 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.408 9.414 5.499 1.00 0.00 H new ATOM 1103 N GLN A 88 8.184 7.689 2.859 1.00 0.00 N ATOM 1104 CA GLN A 88 7.304 6.578 2.542 1.00 0.00 C ATOM 1105 C GLN A 88 7.728 5.273 3.191 1.00 0.00 C ATOM 1106 O GLN A 88 8.700 4.653 2.776 1.00 0.00 O ATOM 1107 CB GLN A 88 7.299 6.379 1.042 1.00 0.00 C ATOM 1108 CG GLN A 88 6.303 7.243 0.314 1.00 0.00 C ATOM 1109 CD GLN A 88 6.218 6.907 -1.161 1.00 0.00 C ATOM 1110 OE1 GLN A 88 7.201 6.505 -1.782 1.00 0.00 O ATOM 1111 NE2 GLN A 88 5.038 7.061 -1.717 1.00 0.00 N ATOM 0 H GLN A 88 8.317 8.337 2.083 1.00 0.00 H new ATOM 0 HA GLN A 88 6.317 6.831 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.296 6.587 0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.084 5.333 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.320 7.122 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.581 8.291 0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.252 7.397 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.908 6.844 -2.705 1.00 0.00 H new ATOM 1120 N GLN A 89 6.989 4.856 4.193 1.00 0.00 N ATOM 1121 CA GLN A 89 7.222 3.566 4.804 1.00 0.00 C ATOM 1122 C GLN A 89 6.580 2.487 3.952 1.00 0.00 C ATOM 1123 O GLN A 89 5.358 2.340 3.926 1.00 0.00 O ATOM 1124 CB GLN A 89 6.697 3.538 6.236 1.00 0.00 C ATOM 1125 CG GLN A 89 7.586 4.299 7.205 1.00 0.00 C ATOM 1126 CD GLN A 89 7.029 4.320 8.612 1.00 0.00 C ATOM 1127 OE1 GLN A 89 7.296 3.422 9.408 1.00 0.00 O ATOM 1128 NE2 GLN A 89 6.270 5.350 8.937 1.00 0.00 N ATOM 0 H GLN A 89 6.222 5.390 4.602 1.00 0.00 H new ATOM 0 HA GLN A 89 8.294 3.378 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.694 3.965 6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.611 2.503 6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.577 3.844 7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.709 5.323 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.072 6.075 8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.882 5.421 9.878 1.00 0.00 H new ATOM 1137 N THR A 90 7.413 1.757 3.239 1.00 0.00 N ATOM 1138 CA THR A 90 6.949 0.790 2.275 1.00 0.00 C ATOM 1139 C THR A 90 6.747 -0.574 2.904 1.00 0.00 C ATOM 1140 O THR A 90 7.496 -0.985 3.797 1.00 0.00 O ATOM 1141 CB THR A 90 7.942 0.658 1.108 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.279 0.510 1.608 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.860 1.872 0.206 1.00 0.00 C ATOM 0 H THR A 90 8.428 1.820 3.314 1.00 0.00 H new ATOM 0 HA THR A 90 5.991 1.152 1.902 1.00 0.00 H new ATOM 0 HB THR A 90 7.680 -0.228 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.902 0.425 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.569 1.764 -0.615 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.850 1.960 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.102 2.768 0.778 1.00 0.00 H new ATOM 1151 N LEU A 91 5.713 -1.260 2.447 1.00 0.00 N ATOM 1152 CA LEU A 91 5.474 -2.622 2.863 1.00 0.00 C ATOM 1153 C LEU A 91 6.115 -3.559 1.862 1.00 0.00 C ATOM 1154 O LEU A 91 5.681 -3.633 0.715 1.00 0.00 O ATOM 1155 CB LEU A 91 3.983 -2.948 2.957 1.00 0.00 C ATOM 1156 CG LEU A 91 3.696 -4.271 3.667 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.852 -4.106 5.160 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.319 -4.819 3.354 1.00 0.00 C ATOM 0 H LEU A 91 5.028 -0.891 1.787 1.00 0.00 H new ATOM 0 HA LEU A 91 5.906 -2.746 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.475 -2.142 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.562 -2.984 1.952 1.00 0.00 H new ATOM 0 HG LEU A 91 4.423 -4.992 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.645 -5.055 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.871 -3.793 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.153 -3.350 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.172 -5.759 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.562 -4.101 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.231 -4.992 2.281 1.00 0.00 H new ATOM 1170 N THR A 92 7.149 -4.249 2.280 1.00 0.00 N ATOM 1171 CA THR A 92 7.802 -5.208 1.427 1.00 0.00 C ATOM 1172 C THR A 92 7.452 -6.596 1.903 1.00 0.00 C ATOM 1173 O THR A 92 7.960 -7.070 2.915 1.00 0.00 O ATOM 1174 CB THR A 92 9.324 -5.014 1.421 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.630 -3.656 1.073 1.00 0.00 O ATOM 1176 CG2 THR A 92 9.985 -5.960 0.431 1.00 0.00 C ATOM 0 H THR A 92 7.557 -4.162 3.211 1.00 0.00 H new ATOM 0 HA THR A 92 7.455 -5.063 0.404 1.00 0.00 H new ATOM 0 HB THR A 92 9.709 -5.235 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.557 -3.599 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.064 -5.805 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.764 -6.990 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.602 -5.764 -0.571 1.00 0.00 H new ATOM 1184 N LEU A 93 6.559 -7.238 1.193 1.00 0.00 N ATOM 1185 CA LEU A 93 6.053 -8.504 1.643 1.00 0.00 C ATOM 1186 C LEU A 93 6.903 -9.631 1.099 1.00 0.00 C ATOM 1187 O LEU A 93 7.084 -9.759 -0.113 1.00 0.00 O ATOM 1188 CB LEU A 93 4.595 -8.687 1.248 1.00 0.00 C ATOM 1189 CG LEU A 93 3.799 -9.459 2.263 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.729 -8.666 3.550 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.420 -9.763 1.751 1.00 0.00 C ATOM 0 H LEU A 93 6.172 -6.907 0.309 1.00 0.00 H new ATOM 0 HA LEU A 93 6.104 -8.523 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.138 -7.708 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.547 -9.203 0.289 1.00 0.00 H new ATOM 0 HG LEU A 93 4.295 -10.411 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.152 -9.222 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.737 -8.497 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.247 -7.707 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.867 -10.322 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.898 -8.831 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.493 -10.357 0.840 1.00 0.00 H new ATOM 1203 N THR A 94 7.435 -10.433 2.004 1.00 0.00 N ATOM 1204 CA THR A 94 8.315 -11.502 1.648 1.00 0.00 C ATOM 1205 C THR A 94 7.631 -12.849 1.866 1.00 0.00 C ATOM 1206 O THR A 94 7.138 -13.148 2.964 1.00 0.00 O ATOM 1207 CB THR A 94 9.609 -11.410 2.472 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.441 -10.350 1.974 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.354 -12.720 2.444 1.00 0.00 C ATOM 0 H THR A 94 7.261 -10.351 3.006 1.00 0.00 H new ATOM 0 HA THR A 94 8.567 -11.417 0.591 1.00 0.00 H new ATOM 0 HB THR A 94 9.343 -11.191 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.261 -10.300 2.508 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.267 -12.632 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.725 -13.505 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.610 -12.971 1.415 1.00 0.00 H new ATOM 1217 N PHE A 95 7.590 -13.635 0.801 1.00 0.00 N ATOM 1218 CA PHE A 95 6.994 -14.958 0.831 1.00 0.00 C ATOM 1219 C PHE A 95 8.063 -16.021 0.657 1.00 0.00 C ATOM 1220 O PHE A 95 9.046 -15.816 -0.060 1.00 0.00 O ATOM 1221 CB PHE A 95 5.955 -15.100 -0.280 1.00 0.00 C ATOM 1222 CG PHE A 95 4.732 -14.265 -0.072 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.678 -14.762 0.662 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.630 -12.995 -0.610 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.541 -14.018 0.863 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.492 -12.243 -0.412 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.445 -12.760 0.326 1.00 0.00 C ATOM 0 H PHE A 95 7.970 -13.372 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 95 6.507 -15.090 1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.413 -14.826 -1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.660 -16.147 -0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.747 -15.753 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.447 -12.590 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.725 -14.423 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.419 -11.251 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.551 -12.174 0.480 1.00 0.00 H new ATOM 1237 N ASN A 96 7.875 -17.145 1.332 1.00 0.00 N ATOM 1238 CA ASN A 96 8.790 -18.275 1.209 1.00 0.00 C ATOM 1239 C ASN A 96 8.588 -19.008 -0.120 1.00 0.00 C ATOM 1240 O ASN A 96 7.799 -18.570 -0.959 1.00 0.00 O ATOM 1241 CB ASN A 96 8.630 -19.244 2.396 1.00 0.00 C ATOM 1242 CG ASN A 96 7.212 -19.763 2.573 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.467 -19.943 1.606 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.829 -20.005 3.817 1.00 0.00 N ATOM 0 H ASN A 96 7.096 -17.301 1.972 1.00 0.00 H new ATOM 0 HA ASN A 96 9.807 -17.882 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.303 -20.090 2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.940 -18.739 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.888 -20.353 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.475 -19.843 4.590 1.00 0.00 H new ATOM 1251 N SER A 97 9.277 -20.128 -0.295 1.00 0.00 N ATOM 1252 CA SER A 97 9.224 -20.896 -1.538 1.00 0.00 C ATOM 1253 C SER A 97 7.795 -21.270 -1.941 1.00 0.00 C ATOM 1254 O SER A 97 7.475 -21.331 -3.128 1.00 0.00 O ATOM 1255 CB SER A 97 10.071 -22.159 -1.386 1.00 0.00 C ATOM 1256 OG SER A 97 9.812 -22.791 -0.142 1.00 0.00 O ATOM 0 H SER A 97 9.887 -20.531 0.416 1.00 0.00 H new ATOM 0 HA SER A 97 9.621 -20.264 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.854 -22.849 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.128 -21.904 -1.457 1.00 0.00 H new ATOM 0 HG SER A 97 10.362 -23.598 -0.064 1.00 0.00 H new ATOM 1262 N SER A 98 6.927 -21.485 -0.959 1.00 0.00 N ATOM 1263 CA SER A 98 5.585 -21.974 -1.232 1.00 0.00 C ATOM 1264 C SER A 98 4.610 -20.817 -1.467 1.00 0.00 C ATOM 1265 O SER A 98 3.437 -21.028 -1.786 1.00 0.00 O ATOM 1266 CB SER A 98 5.113 -22.853 -0.067 1.00 0.00 C ATOM 1267 OG SER A 98 3.942 -23.578 -0.403 1.00 0.00 O ATOM 0 H SER A 98 7.129 -21.329 0.028 1.00 0.00 H new ATOM 0 HA SER A 98 5.610 -22.570 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.906 -23.548 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.918 -22.229 0.805 1.00 0.00 H new ATOM 0 HG SER A 98 3.423 -23.074 -1.064 1.00 0.00 H new ATOM 1273 N GLY A 99 5.102 -19.593 -1.328 1.00 0.00 N ATOM 1274 CA GLY A 99 4.248 -18.434 -1.488 1.00 0.00 C ATOM 1275 C GLY A 99 3.441 -18.159 -0.236 1.00 0.00 C ATOM 1276 O GLY A 99 2.301 -17.695 -0.304 1.00 0.00 O ATOM 0 H GLY A 99 6.076 -19.383 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.857 -17.563 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.573 -18.592 -2.329 1.00 0.00 H new ATOM 1280 N VAL A 100 4.038 -18.464 0.906 1.00 0.00 N ATOM 1281 CA VAL A 100 3.405 -18.243 2.196 1.00 0.00 C ATOM 1282 C VAL A 100 4.100 -17.091 2.905 1.00 0.00 C ATOM 1283 O VAL A 100 5.326 -16.979 2.840 1.00 0.00 O ATOM 1284 CB VAL A 100 3.492 -19.505 3.078 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.562 -19.397 4.278 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.186 -20.751 2.261 1.00 0.00 C ATOM 0 H VAL A 100 4.972 -18.870 0.964 1.00 0.00 H new ATOM 0 HA VAL A 100 2.354 -18.007 2.029 1.00 0.00 H new ATOM 0 HB VAL A 100 4.512 -19.587 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.643 -20.300 4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.842 -18.531 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.534 -19.282 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.252 -21.631 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.180 -20.677 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.906 -20.839 1.448 1.00 0.00 H new ATOM 1296 N LEU A 101 3.324 -16.224 3.550 1.00 0.00 N ATOM 1297 CA LEU A 101 3.876 -15.082 4.254 1.00 0.00 C ATOM 1298 C LEU A 101 4.828 -15.496 5.349 1.00 0.00 C ATOM 1299 O LEU A 101 4.488 -16.276 6.241 1.00 0.00 O ATOM 1300 CB LEU A 101 2.766 -14.231 4.845 1.00 0.00 C ATOM 1301 CG LEU A 101 2.466 -12.969 4.060 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.446 -12.124 4.791 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.739 -12.186 3.829 1.00 0.00 C ATOM 0 H LEU A 101 2.308 -16.296 3.597 1.00 0.00 H new ATOM 0 HA LEU A 101 4.435 -14.499 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.858 -14.831 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.038 -13.956 5.864 1.00 0.00 H new ATOM 0 HG LEU A 101 2.049 -13.247 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.241 -11.222 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.524 -12.692 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.837 -11.848 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.512 -11.282 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.178 -11.914 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.445 -12.797 3.267 1.00 0.00 H new ATOM 1315 N THR A 102 6.024 -14.955 5.264 1.00 0.00 N ATOM 1316 CA THR A 102 7.044 -15.186 6.261 1.00 0.00 C ATOM 1317 C THR A 102 7.341 -13.907 7.017 1.00 0.00 C ATOM 1318 O THR A 102 7.429 -13.899 8.247 1.00 0.00 O ATOM 1319 CB THR A 102 8.333 -15.706 5.607 1.00 0.00 C ATOM 1320 OG1 THR A 102 8.937 -14.671 4.819 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.017 -16.866 4.702 1.00 0.00 C ATOM 0 H THR A 102 6.316 -14.343 4.502 1.00 0.00 H new ATOM 0 HA THR A 102 6.672 -15.938 6.957 1.00 0.00 H new ATOM 0 HB THR A 102 9.016 -16.021 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.262 -14.270 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.936 -17.229 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.561 -17.667 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.325 -16.543 3.924 1.00 0.00 H new ATOM 1329 N ASN A 103 7.476 -12.818 6.276 1.00 0.00 N ATOM 1330 CA ASN A 103 7.777 -11.527 6.887 1.00 0.00 C ATOM 1331 C ASN A 103 6.933 -10.421 6.280 1.00 0.00 C ATOM 1332 O ASN A 103 6.519 -10.495 5.121 1.00 0.00 O ATOM 1333 CB ASN A 103 9.254 -11.120 6.722 1.00 0.00 C ATOM 1334 CG ASN A 103 10.272 -12.063 7.351 1.00 0.00 C ATOM 1335 OD1 ASN A 103 10.139 -13.284 7.316 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.312 -11.490 7.936 1.00 0.00 N ATOM 0 H ASN A 103 7.384 -12.799 5.260 1.00 0.00 H new ATOM 0 HA ASN A 103 7.552 -11.651 7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.472 -11.037 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.389 -10.128 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.031 -12.065 8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.394 -10.473 7.948 1.00 0.00 H new ATOM 1343 N ILE A 104 6.700 -9.392 7.079 1.00 0.00 N ATOM 1344 CA ILE A 104 6.073 -8.164 6.612 1.00 0.00 C ATOM 1345 C ILE A 104 7.103 -7.049 6.770 1.00 0.00 C ATOM 1346 O ILE A 104 7.220 -6.456 7.842 1.00 0.00 O ATOM 1347 CB ILE A 104 4.815 -7.784 7.441 1.00 0.00 C ATOM 1348 CG1 ILE A 104 4.030 -9.025 7.902 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.913 -6.844 6.642 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.320 -9.780 6.801 1.00 0.00 C ATOM 0 H ILE A 104 6.940 -9.384 8.070 1.00 0.00 H new ATOM 0 HA ILE A 104 5.754 -8.306 5.579 1.00 0.00 H new ATOM 0 HB ILE A 104 5.159 -7.268 8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.718 -9.706 8.403 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.293 -8.715 8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.037 -6.588 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.462 -5.935 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.596 -7.338 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.796 -10.636 7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.602 -9.121 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.049 -10.127 6.069 1.00 0.00 H new ATOM 1362 N ASP A 105 7.861 -6.773 5.721 1.00 0.00 N ATOM 1363 CA ASP A 105 9.018 -5.889 5.840 1.00 0.00 C ATOM 1364 C ASP A 105 8.627 -4.444 5.596 1.00 0.00 C ATOM 1365 O ASP A 105 8.537 -3.997 4.458 1.00 0.00 O ATOM 1366 CB ASP A 105 10.101 -6.308 4.850 1.00 0.00 C ATOM 1367 CG ASP A 105 11.474 -5.776 5.207 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.797 -4.641 4.814 1.00 0.00 O ATOM 1369 OD2 ASP A 105 12.240 -6.505 5.869 1.00 0.00 O ATOM 0 H ASP A 105 7.701 -7.143 4.784 1.00 0.00 H new ATOM 0 HA ASP A 105 9.405 -5.972 6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.141 -7.396 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.830 -5.957 3.854 1.00 0.00 H new ATOM 1374 N ASN A 106 8.400 -3.712 6.666 1.00 0.00 N ATOM 1375 CA ASN A 106 7.964 -2.335 6.555 1.00 0.00 C ATOM 1376 C ASN A 106 8.988 -1.398 7.165 1.00 0.00 C ATOM 1377 O ASN A 106 9.315 -1.489 8.349 1.00 0.00 O ATOM 1378 CB ASN A 106 6.599 -2.139 7.213 1.00 0.00 C ATOM 1379 CG ASN A 106 6.142 -0.693 7.178 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.325 0.053 8.137 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.554 -0.285 6.066 1.00 0.00 N ATOM 0 H ASN A 106 8.510 -4.047 7.623 1.00 0.00 H new ATOM 0 HA ASN A 106 7.867 -2.097 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.862 -2.762 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.646 -2.477 8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.234 0.680 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.420 -0.935 5.292 1.00 0.00 H new ATOM 1388 N LYS A 107 9.502 -0.517 6.333 1.00 0.00 N ATOM 1389 CA LYS A 107 10.484 0.466 6.755 1.00 0.00 C ATOM 1390 C LYS A 107 10.421 1.675 5.815 1.00 0.00 C ATOM 1391 O LYS A 107 9.683 1.635 4.828 1.00 0.00 O ATOM 1392 CB LYS A 107 11.887 -0.160 6.772 1.00 0.00 C ATOM 1393 CG LYS A 107 12.637 -0.090 5.450 1.00 0.00 C ATOM 1394 CD LYS A 107 12.550 -1.382 4.648 1.00 0.00 C ATOM 1395 CE LYS A 107 11.221 -1.529 3.919 1.00 0.00 C ATOM 1396 NZ LYS A 107 11.177 -2.776 3.116 1.00 0.00 N ATOM 0 H LYS A 107 9.253 -0.460 5.346 1.00 0.00 H new ATOM 0 HA LYS A 107 10.262 0.801 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.482 0.339 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.799 -1.205 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.235 0.729 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.684 0.141 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.363 -1.411 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.689 -2.231 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.406 -1.532 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.065 -0.669 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.396 -2.721 2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.076 -2.893 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.028 -3.590 3.746 1.00 0.00 H new ATOM 1410 N PRO A 108 11.173 2.758 6.086 1.00 0.00 N ATOM 1411 CA PRO A 108 11.122 3.960 5.254 1.00 0.00 C ATOM 1412 C PRO A 108 11.675 3.708 3.849 1.00 0.00 C ATOM 1413 O PRO A 108 12.315 2.687 3.589 1.00 0.00 O ATOM 1414 CB PRO A 108 11.978 4.979 6.011 1.00 0.00 C ATOM 1415 CG PRO A 108 12.850 4.182 6.917 1.00 0.00 C ATOM 1416 CD PRO A 108 12.130 2.891 7.199 1.00 0.00 C ATOM 0 HA PRO A 108 10.099 4.303 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 108 12.574 5.578 5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 108 11.354 5.670 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 108 13.817 3.990 6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 108 13.044 4.725 7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 108 12.821 2.049 7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 108 11.619 2.922 8.161 1.00 0.00 H new ATOM 1424 N ALA A 109 11.407 4.634 2.942 1.00 0.00 N ATOM 1425 CA ALA A 109 11.804 4.489 1.551 1.00 0.00 C ATOM 1426 C ALA A 109 13.299 4.665 1.357 1.00 0.00 C ATOM 1427 O ALA A 109 14.035 4.963 2.301 1.00 0.00 O ATOM 1428 CB ALA A 109 11.036 5.466 0.684 1.00 0.00 C ATOM 0 H ALA A 109 10.912 5.502 3.147 1.00 0.00 H new ATOM 0 HA ALA A 109 11.561 3.471 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.342 5.348 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.968 5.269 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.245 6.485 1.010 1.00 0.00 H new ATOM 1434 N LEU A 110 13.722 4.474 0.120 1.00 0.00 N ATOM 1435 CA LEU A 110 15.126 4.536 -0.265 1.00 0.00 C ATOM 1436 C LEU A 110 15.784 5.820 0.233 1.00 0.00 C ATOM 1437 O LEU A 110 16.762 5.776 0.980 1.00 0.00 O ATOM 1438 CB LEU A 110 15.222 4.448 -1.786 1.00 0.00 C ATOM 1439 CG LEU A 110 14.380 3.331 -2.407 1.00 0.00 C ATOM 1440 CD1 LEU A 110 14.403 3.404 -3.922 1.00 0.00 C ATOM 1441 CD2 LEU A 110 14.866 1.966 -1.954 1.00 0.00 C ATOM 0 H LEU A 110 13.094 4.269 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 110 15.655 3.700 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.912 5.401 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.265 4.298 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 110 13.354 3.471 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.796 2.598 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 110 14.000 4.364 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 110 15.429 3.303 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.250 1.191 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.904 1.830 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 110 14.793 1.896 -0.869 1.00 0.00 H new ATOM 1453 N SER A 111 15.235 6.957 -0.162 1.00 0.00 N ATOM 1454 CA SER A 111 15.744 8.241 0.279 1.00 0.00 C ATOM 1455 C SER A 111 15.056 8.689 1.567 1.00 0.00 C ATOM 1456 O SER A 111 14.821 9.879 1.783 1.00 0.00 O ATOM 1457 CB SER A 111 15.561 9.280 -0.825 1.00 0.00 C ATOM 1458 OG SER A 111 14.286 9.163 -1.439 1.00 0.00 O ATOM 0 H SER A 111 14.433 7.015 -0.790 1.00 0.00 H new ATOM 0 HA SER A 111 16.808 8.139 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 111 15.675 10.281 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.341 9.157 -1.576 1.00 0.00 H new ATOM 0 HG SER A 111 14.197 9.842 -2.140 1.00 0.00 H new ATOM 1464 N GLY A 112 14.750 7.720 2.425 1.00 0.00 N ATOM 1465 CA GLY A 112 14.065 8.009 3.659 1.00 0.00 C ATOM 1466 C GLY A 112 15.008 8.478 4.741 1.00 0.00 C ATOM 1467 O GLY A 112 16.161 8.825 4.474 1.00 0.00 O ATOM 0 H GLY A 112 14.969 6.734 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.309 8.774 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.541 7.116 3.999 1.00 0.00 H new ATOM 1471 N ASN A 113 14.526 8.466 5.965 1.00 0.00 N ATOM 1472 CA ASN A 113 15.285 8.971 7.095 1.00 0.00 C ATOM 1473 C ASN A 113 15.136 8.042 8.288 1.00 0.00 C ATOM 1474 O ASN A 113 16.167 7.661 8.877 1.00 0.00 O ATOM 1475 CB ASN A 113 14.853 10.402 7.452 1.00 0.00 C ATOM 1476 CG ASN A 113 13.377 10.522 7.786 1.00 0.00 C ATOM 1477 OD1 ASN A 113 12.978 10.446 8.950 1.00 0.00 O ATOM 1478 ND2 ASN A 113 12.556 10.720 6.767 1.00 0.00 N ATOM 1479 OXT ASN A 113 13.995 7.649 8.599 1.00 0.00 O ATOM 0 H ASN A 113 13.602 8.108 6.207 1.00 0.00 H new ATOM 0 HA ASN A 113 16.338 9.004 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 113 15.440 10.749 8.303 1.00 0.00 H new ATOM 0 HB3 ASN A 113 15.083 11.062 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.554 10.816 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.926 10.777 5.818 1.00 0.00 H new TER 1486 ASN A 113