USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0.337 X(o=-0.058,f=-0.00036) USER MOD Set 1.2: A 110 TYR OH : rot 112:sc= 0.0916 USER MOD Set 1.3: A 112 HIS : no HD1:sc= -0.487 K(o=-0.058,f=-1.2) USER MOD Set 2.1: A 68 HIS : no HD1:sc= 0.41 K(o=1.6,f=-1.7!) USER MOD Set 2.2: A 88 TYR OH : rot 19:sc= 1.21 USER MOD Set 3.1: A 76 ASN : amide:sc= 2.3 K(o=3.3,f=2.2) USER MOD Set 3.2: A 82 THR OG1 : rot 150:sc= 1.03 USER MOD Set 4.1: A 60 GLN : amide:sc= 0.473 K(o=-1.5,f=-8.4!) USER MOD Set 4.2: A 62 SER OG : rot -102:sc= 0.34 USER MOD Set 4.3: A 109 ASN : amide:sc= -2.31! C(o=-1.5!,f=-6.9!) USER MOD Set 5.1: A 19 TYR OH : rot 30:sc= 0.468 USER MOD Set 5.2: A 84 SER OG : rot -131:sc= 1.61 USER MOD Set 6.1: A 16 CYS SG : rot 180:sc= 0.108 USER MOD Set 6.2: A 17 THR OG1 : rot 180:sc= 0.0103 USER MOD Set 7.1: A 15 GLN : amide:sc= -1.23 K(o=-2.2,f=-0.83) USER MOD Set 7.2: A 87 ASN : amide:sc= -1.01 K(o=-2.2,f=-8.6!) USER MOD Set 8.1: A 11 TYR OH : rot 52:sc= 1.05 USER MOD Set 8.2: A 34 ASN : amide:sc= 0.899 K(o=1.9,f=-0.22) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0909 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 9 ASN : amide:sc= 0.325 K(o=0.33,f=-8.2!) USER MOD Single : A 12 THR OG1 : rot 78:sc= 0.232 USER MOD Single : A 21 TYR OH : rot -76:sc= -0.176 USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= 0.0855 (180deg=0) USER MOD Single : A 30 SER OG : rot -37:sc= 0.419 USER MOD Single : A 31 THR OG1 : rot -44:sc= 0.856 USER MOD Single : A 36 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.6!) USER MOD Single : A 37 ASN : amide:sc= -0.575 X(o=-0.58,f=-0.45) USER MOD Single : A 43 GLN : amide:sc= 0.745 K(o=0.74,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.012) USER MOD Single : A 52 THR OG1 : rot -15:sc= 0.705 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -133:sc= -1.06 (180deg=-3.33!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00192 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -179:sc= -0.906 (180deg=-0.906) USER MOD Single : A 89 SER OG : rot 150:sc= -0.238 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -150:sc= 0.282 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 97:sc= 1.39 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 107 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.3) USER MOD Single : A 108 TYR OH : rot 130:sc= 0.776 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.662 13.593 9.904 1.00 0.00 N ATOM 2 CA GLY A 1 -10.365 14.394 8.871 1.00 0.00 C ATOM 3 C GLY A 1 -11.870 14.253 8.967 1.00 0.00 C ATOM 4 O GLY A 1 -12.384 13.143 9.113 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.635 13.719 9.801 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.957 13.910 10.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.901 12.588 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.092 15.444 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.034 14.079 7.881 1.00 0.00 H new ATOM 10 N SER A 2 -12.581 15.372 8.872 1.00 0.00 N ATOM 11 CA SER A 2 -14.033 15.374 8.991 1.00 0.00 C ATOM 12 C SER A 2 -14.689 15.117 7.636 1.00 0.00 C ATOM 13 O SER A 2 -15.913 15.167 7.501 1.00 0.00 O ATOM 14 CB SER A 2 -14.500 16.710 9.565 1.00 0.00 C ATOM 15 OG SER A 2 -13.827 16.996 10.780 1.00 0.00 O ATOM 0 H SER A 2 -12.172 16.293 8.712 1.00 0.00 H new ATOM 0 HA SER A 2 -14.330 14.571 9.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.314 17.506 8.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.576 16.681 9.737 1.00 0.00 H new ATOM 0 HG SER A 2 -14.138 17.856 11.132 1.00 0.00 H new ATOM 21 N SER A 3 -13.858 14.829 6.643 1.00 0.00 N ATOM 22 CA SER A 3 -14.321 14.512 5.303 1.00 0.00 C ATOM 23 C SER A 3 -15.084 13.187 5.284 1.00 0.00 C ATOM 24 O SER A 3 -15.877 12.924 4.376 1.00 0.00 O ATOM 25 CB SER A 3 -13.117 14.452 4.369 1.00 0.00 C ATOM 26 OG SER A 3 -12.001 13.886 5.038 1.00 0.00 O ATOM 0 H SER A 3 -12.843 14.809 6.746 1.00 0.00 H new ATOM 0 HA SER A 3 -15.009 15.288 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.361 13.858 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.870 15.454 4.019 1.00 0.00 H new ATOM 0 HG SER A 3 -11.236 13.852 4.427 1.00 0.00 H new ATOM 32 N ILE A 4 -14.836 12.355 6.288 1.00 0.00 N ATOM 33 CA ILE A 4 -15.531 11.086 6.424 1.00 0.00 C ATOM 34 C ILE A 4 -16.167 10.976 7.805 1.00 0.00 C ATOM 35 O ILE A 4 -15.615 11.463 8.791 1.00 0.00 O ATOM 36 CB ILE A 4 -14.587 9.884 6.192 1.00 0.00 C ATOM 37 CG1 ILE A 4 -13.357 9.978 7.108 1.00 0.00 C ATOM 38 CG2 ILE A 4 -14.170 9.807 4.729 1.00 0.00 C ATOM 39 CD1 ILE A 4 -12.407 8.805 6.977 1.00 0.00 C ATOM 0 H ILE A 4 -14.154 12.540 7.023 1.00 0.00 H new ATOM 0 HA ILE A 4 -16.307 11.059 5.659 1.00 0.00 H new ATOM 0 HB ILE A 4 -15.125 8.969 6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -12.817 10.898 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -13.691 10.050 8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -13.506 8.955 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -15.055 9.687 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -13.650 10.724 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -11.564 8.942 7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.930 7.883 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.043 8.745 5.951 1.00 0.00 H new ATOM 51 N SER A 5 -17.339 10.361 7.867 1.00 0.00 N ATOM 52 CA SER A 5 -18.029 10.156 9.133 1.00 0.00 C ATOM 53 C SER A 5 -18.511 8.712 9.245 1.00 0.00 C ATOM 54 O SER A 5 -17.945 7.912 9.990 1.00 0.00 O ATOM 55 CB SER A 5 -19.206 11.133 9.253 1.00 0.00 C ATOM 56 OG SER A 5 -19.939 10.927 10.450 1.00 0.00 O ATOM 0 H SER A 5 -17.833 9.994 7.054 1.00 0.00 H new ATOM 0 HA SER A 5 -17.335 10.348 9.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.833 12.157 9.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.868 11.012 8.396 1.00 0.00 H new ATOM 0 HG SER A 5 -20.680 11.567 10.494 1.00 0.00 H new ATOM 62 N HIS A 6 -19.540 8.376 8.481 1.00 0.00 N ATOM 63 CA HIS A 6 -20.081 7.022 8.468 1.00 0.00 C ATOM 64 C HIS A 6 -19.704 6.346 7.159 1.00 0.00 C ATOM 65 O HIS A 6 -20.199 5.270 6.825 1.00 0.00 O ATOM 66 CB HIS A 6 -21.605 7.043 8.626 1.00 0.00 C ATOM 67 CG HIS A 6 -22.087 7.763 9.852 1.00 0.00 C ATOM 68 ND1 HIS A 6 -23.147 8.644 9.838 1.00 0.00 N ATOM 69 CD2 HIS A 6 -21.652 7.728 11.133 1.00 0.00 C ATOM 70 CE1 HIS A 6 -23.342 9.117 11.054 1.00 0.00 C ATOM 71 NE2 HIS A 6 -22.451 8.579 11.857 1.00 0.00 N ATOM 0 H HIS A 6 -20.020 9.025 7.858 1.00 0.00 H new ATOM 0 HA HIS A 6 -19.661 6.465 9.306 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.044 7.513 7.746 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.970 6.016 8.654 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -20.830 7.141 11.515 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.104 9.826 11.341 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.367 8.764 12.857 1.00 0.00 H new ATOM 80 N SER A 7 -18.816 7.002 6.429 1.00 0.00 N ATOM 81 CA SER A 7 -18.384 6.545 5.120 1.00 0.00 C ATOM 82 C SER A 7 -17.635 5.218 5.213 1.00 0.00 C ATOM 83 O SER A 7 -17.855 4.312 4.408 1.00 0.00 O ATOM 84 CB SER A 7 -17.483 7.610 4.501 1.00 0.00 C ATOM 85 OG SER A 7 -18.038 8.905 4.683 1.00 0.00 O ATOM 0 H SER A 7 -18.373 7.870 6.730 1.00 0.00 H new ATOM 0 HA SER A 7 -19.263 6.384 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.494 7.566 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.354 7.411 3.437 1.00 0.00 H new ATOM 0 HG SER A 7 -17.446 9.574 4.281 1.00 0.00 H new ATOM 91 N GLY A 8 -16.763 5.106 6.209 1.00 0.00 N ATOM 92 CA GLY A 8 -15.941 3.921 6.339 1.00 0.00 C ATOM 93 C GLY A 8 -14.932 3.821 5.213 1.00 0.00 C ATOM 94 O GLY A 8 -14.141 4.739 5.000 1.00 0.00 O ATOM 0 H GLY A 8 -16.612 5.815 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.420 3.941 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -16.576 3.035 6.341 1.00 0.00 H new ATOM 98 N ASN A 9 -14.970 2.720 4.483 1.00 0.00 N ATOM 99 CA ASN A 9 -14.097 2.548 3.333 1.00 0.00 C ATOM 100 C ASN A 9 -14.798 3.065 2.082 1.00 0.00 C ATOM 101 O ASN A 9 -15.966 2.754 1.836 1.00 0.00 O ATOM 102 CB ASN A 9 -13.705 1.079 3.169 1.00 0.00 C ATOM 103 CG ASN A 9 -12.511 0.886 2.251 1.00 0.00 C ATOM 104 OD1 ASN A 9 -12.302 1.640 1.298 1.00 0.00 O ATOM 105 ND2 ASN A 9 -11.709 -0.124 2.539 1.00 0.00 N ATOM 0 H ASN A 9 -15.594 1.933 4.664 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.183 3.120 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -13.476 0.658 4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -14.555 0.523 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.885 -0.301 1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.914 -0.727 3.336 1.00 0.00 H new ATOM 112 N LEU A 10 -14.079 3.856 1.302 1.00 0.00 N ATOM 113 CA LEU A 10 -14.664 4.570 0.174 1.00 0.00 C ATOM 114 C LEU A 10 -14.449 3.843 -1.147 1.00 0.00 C ATOM 115 O LEU A 10 -15.042 4.212 -2.161 1.00 0.00 O ATOM 116 CB LEU A 10 -14.047 5.963 0.070 1.00 0.00 C ATOM 117 CG LEU A 10 -14.292 6.881 1.269 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.609 8.224 1.063 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.785 7.071 1.493 1.00 0.00 C ATOM 0 H LEU A 10 -13.081 4.022 1.430 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.737 4.632 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.971 5.856 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.438 6.449 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.865 6.412 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.795 8.863 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.536 8.073 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.006 8.701 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.944 7.726 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.232 7.519 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.250 6.104 1.685 1.00 0.00 H new ATOM 131 N TYR A 11 -13.603 2.826 -1.149 1.00 0.00 N ATOM 132 CA TYR A 11 -13.248 2.171 -2.397 1.00 0.00 C ATOM 133 C TYR A 11 -14.177 0.983 -2.674 1.00 0.00 C ATOM 134 O TYR A 11 -15.271 0.898 -2.115 1.00 0.00 O ATOM 135 CB TYR A 11 -11.777 1.743 -2.374 1.00 0.00 C ATOM 136 CG TYR A 11 -11.126 1.787 -3.740 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.932 2.998 -4.396 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.724 0.626 -4.383 1.00 0.00 C ATOM 139 CE1 TYR A 11 -10.353 3.047 -5.649 1.00 0.00 C ATOM 140 CE2 TYR A 11 -10.149 0.667 -5.638 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.965 1.879 -6.267 1.00 0.00 C ATOM 142 OH TYR A 11 -9.405 1.919 -7.524 1.00 0.00 O ATOM 0 H TYR A 11 -13.156 2.441 -0.317 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.378 2.882 -3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.226 2.393 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.705 0.731 -1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.239 3.916 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.863 -0.327 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.205 3.997 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.845 -0.248 -6.125 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.664 2.560 -7.532 1.00 0.00 H new ATOM 152 N THR A 12 -13.737 0.076 -3.536 1.00 0.00 N ATOM 153 CA THR A 12 -14.588 -0.995 -4.041 1.00 0.00 C ATOM 154 C THR A 12 -14.766 -2.118 -3.014 1.00 0.00 C ATOM 155 O THR A 12 -15.594 -2.016 -2.110 1.00 0.00 O ATOM 156 CB THR A 12 -13.998 -1.579 -5.339 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.445 -0.523 -6.134 1.00 0.00 O ATOM 158 CG2 THR A 12 -15.049 -2.321 -6.147 1.00 0.00 C ATOM 0 H THR A 12 -12.786 0.061 -3.904 1.00 0.00 H new ATOM 0 HA THR A 12 -15.567 -0.560 -4.242 1.00 0.00 H new ATOM 0 HB THR A 12 -13.219 -2.289 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.572 -0.263 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.596 -2.719 -7.055 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.452 -3.141 -5.553 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.854 -1.636 -6.413 1.00 0.00 H new ATOM 166 N ALA A 13 -13.971 -3.177 -3.157 1.00 0.00 N ATOM 167 CA ALA A 13 -14.040 -4.328 -2.271 1.00 0.00 C ATOM 168 C ALA A 13 -12.925 -5.308 -2.605 1.00 0.00 C ATOM 169 O ALA A 13 -12.922 -5.919 -3.671 1.00 0.00 O ATOM 170 CB ALA A 13 -15.396 -5.019 -2.374 1.00 0.00 C ATOM 0 H ALA A 13 -13.265 -3.257 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.916 -3.979 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.420 -5.876 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.183 -4.318 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.555 -5.357 -3.398 1.00 0.00 H new ATOM 176 N GLY A 14 -11.971 -5.438 -1.698 1.00 0.00 N ATOM 177 CA GLY A 14 -10.849 -6.326 -1.926 1.00 0.00 C ATOM 178 C GLY A 14 -9.946 -5.833 -3.039 1.00 0.00 C ATOM 179 O GLY A 14 -9.482 -6.622 -3.861 1.00 0.00 O ATOM 0 H GLY A 14 -11.952 -4.944 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.271 -6.422 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.220 -7.321 -2.175 1.00 0.00 H new ATOM 183 N GLN A 15 -9.712 -4.525 -3.068 1.00 0.00 N ATOM 184 CA GLN A 15 -8.863 -3.914 -4.089 1.00 0.00 C ATOM 185 C GLN A 15 -7.531 -3.490 -3.477 1.00 0.00 C ATOM 186 O GLN A 15 -7.377 -3.508 -2.254 1.00 0.00 O ATOM 187 CB GLN A 15 -9.557 -2.692 -4.699 1.00 0.00 C ATOM 188 CG GLN A 15 -10.992 -2.952 -5.131 1.00 0.00 C ATOM 189 CD GLN A 15 -11.108 -3.807 -6.379 1.00 0.00 C ATOM 190 OE1 GLN A 15 -12.040 -4.594 -6.515 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.191 -3.626 -7.317 1.00 0.00 N ATOM 0 H GLN A 15 -10.099 -3.864 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.683 -4.649 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.548 -1.880 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.984 -2.353 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.525 -3.441 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.487 -1.997 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.431 -2.962 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.244 -4.150 -8.190 1.00 0.00 H new ATOM 200 N CYS A 16 -6.588 -3.089 -4.325 1.00 0.00 N ATOM 201 CA CYS A 16 -5.257 -2.676 -3.868 1.00 0.00 C ATOM 202 C CYS A 16 -5.328 -1.518 -2.872 1.00 0.00 C ATOM 203 O CYS A 16 -4.920 -1.653 -1.720 1.00 0.00 O ATOM 204 CB CYS A 16 -4.394 -2.285 -5.068 1.00 0.00 C ATOM 205 SG CYS A 16 -5.232 -1.215 -6.263 1.00 0.00 S ATOM 0 H CYS A 16 -6.718 -3.040 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.806 -3.524 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.498 -1.778 -4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.065 -3.191 -5.576 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.421 -0.937 -7.240 1.00 0.00 H new ATOM 211 N THR A 17 -5.882 -0.395 -3.306 1.00 0.00 N ATOM 212 CA THR A 17 -5.966 0.792 -2.469 1.00 0.00 C ATOM 213 C THR A 17 -7.157 0.711 -1.514 1.00 0.00 C ATOM 214 O THR A 17 -7.469 1.666 -0.805 1.00 0.00 O ATOM 215 CB THR A 17 -6.069 2.059 -3.341 1.00 0.00 C ATOM 216 OG1 THR A 17 -7.107 1.893 -4.318 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.751 2.339 -4.044 1.00 0.00 C ATOM 0 H THR A 17 -6.282 -0.281 -4.238 1.00 0.00 H new ATOM 0 HA THR A 17 -5.055 0.846 -1.872 1.00 0.00 H new ATOM 0 HB THR A 17 -6.305 2.903 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.170 2.701 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.847 3.237 -4.654 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.967 2.487 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.492 1.494 -4.682 1.00 0.00 H new ATOM 225 N TRP A 18 -7.806 -0.445 -1.498 1.00 0.00 N ATOM 226 CA TRP A 18 -8.941 -0.684 -0.622 1.00 0.00 C ATOM 227 C TRP A 18 -8.480 -1.417 0.630 1.00 0.00 C ATOM 228 O TRP A 18 -8.753 -0.990 1.755 1.00 0.00 O ATOM 229 CB TRP A 18 -9.992 -1.512 -1.363 1.00 0.00 C ATOM 230 CG TRP A 18 -11.231 -1.804 -0.571 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.383 -1.075 -0.561 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.448 -2.907 0.320 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.304 -1.667 0.264 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.754 -2.785 0.822 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.665 -3.986 0.742 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.299 -3.699 1.719 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.206 -4.892 1.633 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.512 -4.743 2.113 1.00 0.00 C ATOM 0 H TRP A 18 -7.561 -1.239 -2.089 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.381 0.269 -0.328 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.275 -0.984 -2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.542 -2.456 -1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.546 -0.166 -1.120 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.250 -1.326 0.434 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.656 -4.109 0.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.307 -3.587 2.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.611 -5.730 1.965 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.906 -5.469 2.809 1.00 0.00 H new ATOM 249 N TYR A 19 -7.769 -2.520 0.422 1.00 0.00 N ATOM 250 CA TYR A 19 -7.270 -3.330 1.523 1.00 0.00 C ATOM 251 C TYR A 19 -6.246 -2.548 2.332 1.00 0.00 C ATOM 252 O TYR A 19 -6.258 -2.567 3.563 1.00 0.00 O ATOM 253 CB TYR A 19 -6.658 -4.619 0.977 1.00 0.00 C ATOM 254 CG TYR A 19 -5.996 -5.487 2.022 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.748 -6.271 2.887 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.615 -5.529 2.131 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.139 -7.074 3.831 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.999 -6.326 3.073 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.764 -7.097 3.919 1.00 0.00 C ATOM 260 OH TYR A 19 -4.149 -7.898 4.855 1.00 0.00 O ATOM 0 H TYR A 19 -7.526 -2.873 -0.503 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.098 -3.587 2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.439 -5.197 0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.922 -4.363 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.826 -6.252 2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.011 -4.928 1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.736 -7.680 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.922 -6.345 3.147 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.705 -8.686 5.027 1.00 0.00 H new ATOM 270 N VAL A 20 -5.368 -1.855 1.624 1.00 0.00 N ATOM 271 CA VAL A 20 -4.378 -0.996 2.252 1.00 0.00 C ATOM 272 C VAL A 20 -5.057 0.065 3.120 1.00 0.00 C ATOM 273 O VAL A 20 -4.588 0.389 4.211 1.00 0.00 O ATOM 274 CB VAL A 20 -3.490 -0.316 1.187 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.580 0.722 1.816 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.664 -1.354 0.442 1.00 0.00 C ATOM 0 H VAL A 20 -5.322 -1.872 0.605 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.748 -1.618 2.887 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.145 0.190 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.966 1.184 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.184 1.486 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.935 0.242 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.044 -0.858 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.026 -1.886 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.329 -2.063 -0.051 1.00 0.00 H new ATOM 286 N TYR A 21 -6.187 0.569 2.639 1.00 0.00 N ATOM 287 CA TYR A 21 -6.914 1.618 3.336 1.00 0.00 C ATOM 288 C TYR A 21 -7.564 1.074 4.607 1.00 0.00 C ATOM 289 O TYR A 21 -7.640 1.765 5.625 1.00 0.00 O ATOM 290 CB TYR A 21 -7.973 2.223 2.415 1.00 0.00 C ATOM 291 CG TYR A 21 -8.605 3.478 2.953 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.862 4.639 3.093 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.945 3.506 3.310 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.435 5.794 3.577 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.527 4.658 3.795 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.766 5.802 3.926 1.00 0.00 C ATOM 297 OH TYR A 21 -10.339 6.958 4.402 1.00 0.00 O ATOM 0 H TYR A 21 -6.619 0.266 1.766 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.207 2.397 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.518 2.443 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.753 1.482 2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.818 4.638 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.542 2.612 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.842 6.690 3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.571 4.665 4.071 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.060 7.103 5.330 1.00 0.00 H new ATOM 307 N ASP A 22 -8.028 -0.169 4.552 1.00 0.00 N ATOM 308 CA ASP A 22 -8.625 -0.804 5.721 1.00 0.00 C ATOM 309 C ASP A 22 -7.564 -1.113 6.772 1.00 0.00 C ATOM 310 O ASP A 22 -7.791 -0.936 7.968 1.00 0.00 O ATOM 311 CB ASP A 22 -9.353 -2.094 5.342 1.00 0.00 C ATOM 312 CG ASP A 22 -10.014 -2.744 6.544 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.136 -2.329 6.905 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.417 -3.660 7.140 1.00 0.00 O ATOM 0 H ASP A 22 -8.003 -0.754 3.717 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.348 -0.102 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.108 -1.877 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.646 -2.792 4.895 1.00 0.00 H new ATOM 319 N LYS A 23 -6.396 -1.555 6.316 1.00 0.00 N ATOM 320 CA LYS A 23 -5.320 -1.960 7.220 1.00 0.00 C ATOM 321 C LYS A 23 -4.759 -0.782 8.012 1.00 0.00 C ATOM 322 O LYS A 23 -4.061 -0.975 9.006 1.00 0.00 O ATOM 323 CB LYS A 23 -4.199 -2.644 6.439 1.00 0.00 C ATOM 324 CG LYS A 23 -4.577 -4.016 5.905 1.00 0.00 C ATOM 325 CD LYS A 23 -4.812 -5.015 7.031 1.00 0.00 C ATOM 326 CE LYS A 23 -3.566 -5.188 7.884 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.727 -6.252 8.908 1.00 0.00 N ATOM 0 H LYS A 23 -6.169 -1.643 5.326 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.748 -2.663 7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.908 -2.006 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.326 -2.743 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.478 -3.934 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.785 -4.383 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.638 -4.675 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.105 -5.977 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.719 -5.430 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.332 -4.245 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.809 -5.818 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.586 -6.802 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.899 -6.881 8.888 1.00 0.00 H new ATOM 341 N VAL A 24 -5.050 0.433 7.568 1.00 0.00 N ATOM 342 CA VAL A 24 -4.619 1.622 8.289 1.00 0.00 C ATOM 343 C VAL A 24 -5.786 2.244 9.053 1.00 0.00 C ATOM 344 O VAL A 24 -5.680 3.352 9.581 1.00 0.00 O ATOM 345 CB VAL A 24 -3.991 2.670 7.348 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.735 2.115 6.698 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.985 3.123 6.294 1.00 0.00 C ATOM 0 H VAL A 24 -5.580 0.621 6.717 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.854 1.306 8.998 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.717 3.540 7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.304 2.867 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.011 1.853 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.987 1.226 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.515 3.862 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.301 2.266 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.854 3.567 6.780 1.00 0.00 H new ATOM 357 N GLY A 25 -6.903 1.521 9.096 1.00 0.00 N ATOM 358 CA GLY A 25 -8.055 1.955 9.868 1.00 0.00 C ATOM 359 C GLY A 25 -8.791 3.125 9.239 1.00 0.00 C ATOM 360 O GLY A 25 -9.687 3.700 9.855 1.00 0.00 O ATOM 0 H GLY A 25 -7.030 0.636 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.745 1.119 9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.728 2.236 10.869 1.00 0.00 H new ATOM 364 N GLY A 26 -8.421 3.475 8.013 1.00 0.00 N ATOM 365 CA GLY A 26 -9.036 4.608 7.348 1.00 0.00 C ATOM 366 C GLY A 26 -8.463 5.935 7.812 1.00 0.00 C ATOM 367 O GLY A 26 -8.979 6.998 7.465 1.00 0.00 O ATOM 0 H GLY A 26 -7.706 2.994 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.897 4.512 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.110 4.595 7.533 1.00 0.00 H new ATOM 371 N GLU A 27 -7.399 5.873 8.609 1.00 0.00 N ATOM 372 CA GLU A 27 -6.726 7.075 9.090 1.00 0.00 C ATOM 373 C GLU A 27 -6.028 7.789 7.941 1.00 0.00 C ATOM 374 O GLU A 27 -6.050 9.017 7.839 1.00 0.00 O ATOM 375 CB GLU A 27 -5.700 6.709 10.169 1.00 0.00 C ATOM 376 CG GLU A 27 -4.865 7.888 10.647 1.00 0.00 C ATOM 377 CD GLU A 27 -3.802 7.478 11.639 1.00 0.00 C ATOM 378 OE1 GLU A 27 -2.729 7.008 11.213 1.00 0.00 O ATOM 379 OE2 GLU A 27 -4.034 7.621 12.857 1.00 0.00 O ATOM 0 H GLU A 27 -6.984 5.000 8.936 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.475 7.742 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.222 6.276 11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.035 5.939 9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.392 8.366 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.519 8.630 11.105 1.00 0.00 H new ATOM 386 N ILE A 28 -5.425 7.001 7.070 1.00 0.00 N ATOM 387 CA ILE A 28 -4.635 7.531 5.978 1.00 0.00 C ATOM 388 C ILE A 28 -5.176 7.060 4.637 1.00 0.00 C ATOM 389 O ILE A 28 -5.526 5.892 4.480 1.00 0.00 O ATOM 390 CB ILE A 28 -3.130 7.145 6.133 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.503 6.698 4.796 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.949 6.071 7.202 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.529 5.199 4.555 1.00 0.00 C ATOM 0 H ILE A 28 -5.469 5.982 7.100 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.709 8.618 6.012 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.602 8.043 6.452 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.029 7.193 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.469 7.040 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.892 5.820 7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.314 6.445 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.511 5.180 6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.068 4.977 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.977 4.693 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.561 4.849 4.552 1.00 0.00 H new ATOM 405 N GLY A 29 -5.278 7.979 3.687 1.00 0.00 N ATOM 406 CA GLY A 29 -5.587 7.591 2.330 1.00 0.00 C ATOM 407 C GLY A 29 -6.800 8.281 1.750 1.00 0.00 C ATOM 408 O GLY A 29 -6.973 9.485 1.926 1.00 0.00 O ATOM 0 H GLY A 29 -5.153 8.981 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.725 7.804 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.747 6.513 2.299 1.00 0.00 H new ATOM 412 N SER A 30 -7.612 7.487 1.042 1.00 0.00 N ATOM 413 CA SER A 30 -8.845 7.917 0.361 1.00 0.00 C ATOM 414 C SER A 30 -8.568 8.886 -0.796 1.00 0.00 C ATOM 415 O SER A 30 -8.903 8.598 -1.945 1.00 0.00 O ATOM 416 CB SER A 30 -9.890 8.503 1.341 1.00 0.00 C ATOM 417 OG SER A 30 -9.487 9.742 1.899 1.00 0.00 O ATOM 0 H SER A 30 -7.424 6.492 0.922 1.00 0.00 H new ATOM 0 HA SER A 30 -9.276 7.013 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.837 8.636 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.068 7.789 2.145 1.00 0.00 H new ATOM 0 HG SER A 30 -8.522 9.726 2.069 1.00 0.00 H new ATOM 423 N THR A 31 -7.936 10.011 -0.503 1.00 0.00 N ATOM 424 CA THR A 31 -7.699 11.036 -1.507 1.00 0.00 C ATOM 425 C THR A 31 -6.319 10.879 -2.156 1.00 0.00 C ATOM 426 O THR A 31 -5.846 11.777 -2.856 1.00 0.00 O ATOM 427 CB THR A 31 -7.841 12.450 -0.889 1.00 0.00 C ATOM 428 OG1 THR A 31 -7.737 13.455 -1.905 1.00 0.00 O ATOM 429 CG2 THR A 31 -6.782 12.691 0.183 1.00 0.00 C ATOM 0 H THR A 31 -7.577 10.238 0.424 1.00 0.00 H new ATOM 0 HA THR A 31 -8.453 10.913 -2.285 1.00 0.00 H new ATOM 0 HB THR A 31 -8.825 12.511 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.997 13.235 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.906 13.691 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.893 11.952 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.790 12.603 -0.259 1.00 0.00 H new ATOM 437 N TRP A 32 -5.689 9.727 -1.947 1.00 0.00 N ATOM 438 CA TRP A 32 -4.371 9.461 -2.526 1.00 0.00 C ATOM 439 C TRP A 32 -4.490 9.000 -3.981 1.00 0.00 C ATOM 440 O TRP A 32 -3.488 8.763 -4.655 1.00 0.00 O ATOM 441 CB TRP A 32 -3.615 8.414 -1.701 1.00 0.00 C ATOM 442 CG TRP A 32 -4.343 7.116 -1.574 1.00 0.00 C ATOM 443 CD1 TRP A 32 -5.237 6.599 -2.454 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.229 6.171 -0.517 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.698 5.402 -2.013 1.00 0.00 N ATOM 446 CE2 TRP A 32 -5.097 5.104 -0.819 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.479 6.121 0.656 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.236 4.000 0.013 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.619 5.023 1.483 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.492 3.974 1.158 1.00 0.00 C ATOM 0 H TRP A 32 -6.065 8.964 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.808 10.394 -2.507 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.643 8.233 -2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.427 8.815 -0.705 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.539 7.074 -3.376 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.382 4.818 -2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.803 6.923 0.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.908 3.192 -0.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.046 4.971 2.397 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.577 3.130 1.826 1.00 0.00 H new ATOM 461 N GLY A 33 -5.721 8.859 -4.451 1.00 0.00 N ATOM 462 CA GLY A 33 -5.937 8.396 -5.801 1.00 0.00 C ATOM 463 C GLY A 33 -5.822 6.897 -5.903 1.00 0.00 C ATOM 464 O GLY A 33 -6.614 6.159 -5.312 1.00 0.00 O ATOM 0 H GLY A 33 -6.570 9.057 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.925 8.709 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.210 8.863 -6.466 1.00 0.00 H new ATOM 468 N ASN A 34 -4.826 6.449 -6.645 1.00 0.00 N ATOM 469 CA ASN A 34 -4.523 5.035 -6.746 1.00 0.00 C ATOM 470 C ASN A 34 -3.030 4.830 -6.564 1.00 0.00 C ATOM 471 O ASN A 34 -2.305 5.772 -6.250 1.00 0.00 O ATOM 472 CB ASN A 34 -4.984 4.443 -8.083 1.00 0.00 C ATOM 473 CG ASN A 34 -6.484 4.545 -8.287 1.00 0.00 C ATOM 474 OD1 ASN A 34 -7.243 3.671 -7.868 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.918 5.610 -8.942 1.00 0.00 N ATOM 0 H ASN A 34 -4.209 7.051 -7.191 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.068 4.512 -5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.476 4.959 -8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.686 3.396 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.916 5.730 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.255 6.311 -9.272 1.00 0.00 H new ATOM 482 N ALA A 35 -2.576 3.610 -6.800 1.00 0.00 N ATOM 483 CA ALA A 35 -1.227 3.193 -6.434 1.00 0.00 C ATOM 484 C ALA A 35 -0.120 3.984 -7.147 1.00 0.00 C ATOM 485 O ALA A 35 1.007 4.058 -6.653 1.00 0.00 O ATOM 486 CB ALA A 35 -1.070 1.706 -6.704 1.00 0.00 C ATOM 0 H ALA A 35 -3.129 2.880 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.107 3.405 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.063 1.391 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.797 1.150 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.238 1.509 -7.763 1.00 0.00 H new ATOM 492 N ASN A 36 -0.430 4.560 -8.299 1.00 0.00 N ATOM 493 CA ASN A 36 0.562 5.299 -9.083 1.00 0.00 C ATOM 494 C ASN A 36 0.657 6.740 -8.594 1.00 0.00 C ATOM 495 O ASN A 36 1.745 7.290 -8.431 1.00 0.00 O ATOM 496 CB ASN A 36 0.182 5.251 -10.575 1.00 0.00 C ATOM 497 CG ASN A 36 1.237 5.828 -11.512 1.00 0.00 C ATOM 498 OD1 ASN A 36 1.942 6.780 -11.186 1.00 0.00 O ATOM 499 ND2 ASN A 36 1.344 5.248 -12.699 1.00 0.00 N ATOM 0 H ASN A 36 -1.360 4.533 -8.716 1.00 0.00 H new ATOM 0 HA ASN A 36 1.540 4.835 -8.955 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.008 4.215 -10.856 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.751 5.797 -10.718 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.028 5.590 -13.374 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.743 4.459 -12.937 1.00 0.00 H new ATOM 506 N ASN A 37 -0.493 7.321 -8.304 1.00 0.00 N ATOM 507 CA ASN A 37 -0.581 8.733 -7.953 1.00 0.00 C ATOM 508 C ASN A 37 -0.308 8.931 -6.461 1.00 0.00 C ATOM 509 O ASN A 37 -0.280 10.060 -5.972 1.00 0.00 O ATOM 510 CB ASN A 37 -1.979 9.258 -8.316 1.00 0.00 C ATOM 511 CG ASN A 37 -2.007 10.735 -8.687 1.00 0.00 C ATOM 512 OD1 ASN A 37 -2.752 11.142 -9.582 1.00 0.00 O ATOM 513 ND2 ASN A 37 -1.234 11.553 -7.993 1.00 0.00 N ATOM 0 H ASN A 37 -1.389 6.834 -8.304 1.00 0.00 H new ATOM 0 HA ASN A 37 0.171 9.291 -8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.369 8.676 -9.151 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.649 9.093 -7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.242 12.553 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.629 11.184 -7.259 1.00 0.00 H new ATOM 520 N TRP A 38 -0.078 7.819 -5.766 1.00 0.00 N ATOM 521 CA TRP A 38 0.103 7.800 -4.313 1.00 0.00 C ATOM 522 C TRP A 38 1.050 8.875 -3.803 1.00 0.00 C ATOM 523 O TRP A 38 0.629 9.790 -3.106 1.00 0.00 O ATOM 524 CB TRP A 38 0.643 6.450 -3.875 1.00 0.00 C ATOM 525 CG TRP A 38 -0.323 5.657 -3.080 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.615 5.374 -3.394 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.058 5.031 -1.831 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.175 4.607 -2.414 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.238 4.388 -1.428 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.069 4.955 -1.012 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.314 3.677 -0.229 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.988 4.254 0.163 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.194 3.631 0.544 1.00 0.00 C ATOM 0 H TRP A 38 -0.011 6.897 -6.198 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.882 7.995 -3.888 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.930 5.879 -4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.547 6.603 -3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.123 5.707 -4.287 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.132 4.253 -2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.990 5.441 -1.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.225 3.183 0.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.856 4.185 0.802 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.225 3.094 1.481 1.00 0.00 H new ATOM 544 N ALA A 39 2.328 8.755 -4.151 1.00 0.00 N ATOM 545 CA ALA A 39 3.362 9.630 -3.603 1.00 0.00 C ATOM 546 C ALA A 39 3.038 11.103 -3.844 1.00 0.00 C ATOM 547 O ALA A 39 3.388 11.962 -3.036 1.00 0.00 O ATOM 548 CB ALA A 39 4.721 9.275 -4.191 1.00 0.00 C ATOM 0 H ALA A 39 2.674 8.059 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 39 3.394 9.475 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.482 9.935 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.964 8.241 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.691 9.395 -5.274 1.00 0.00 H new ATOM 554 N ALA A 40 2.361 11.388 -4.950 1.00 0.00 N ATOM 555 CA ALA A 40 1.958 12.750 -5.267 1.00 0.00 C ATOM 556 C ALA A 40 0.750 13.169 -4.431 1.00 0.00 C ATOM 557 O ALA A 40 0.761 14.220 -3.790 1.00 0.00 O ATOM 558 CB ALA A 40 1.650 12.881 -6.752 1.00 0.00 C ATOM 0 H ALA A 40 2.080 10.693 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 40 2.786 13.416 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.350 13.906 -6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.539 12.630 -7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.840 12.201 -7.017 1.00 0.00 H new ATOM 564 N ALA A 41 -0.280 12.328 -4.418 1.00 0.00 N ATOM 565 CA ALA A 41 -1.521 12.632 -3.708 1.00 0.00 C ATOM 566 C ALA A 41 -1.307 12.648 -2.198 1.00 0.00 C ATOM 567 O ALA A 41 -1.891 13.463 -1.486 1.00 0.00 O ATOM 568 CB ALA A 41 -2.602 11.629 -4.080 1.00 0.00 C ATOM 0 H ALA A 41 -0.280 11.426 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.845 13.628 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.520 11.868 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.786 11.674 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.275 10.625 -3.810 1.00 0.00 H new ATOM 574 N ALA A 42 -0.464 11.745 -1.721 1.00 0.00 N ATOM 575 CA ALA A 42 -0.120 11.678 -0.310 1.00 0.00 C ATOM 576 C ALA A 42 0.535 12.983 0.141 1.00 0.00 C ATOM 577 O ALA A 42 0.138 13.577 1.144 1.00 0.00 O ATOM 578 CB ALA A 42 0.810 10.509 -0.060 1.00 0.00 C ATOM 0 H ALA A 42 -0.002 11.042 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.033 11.533 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.063 10.466 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.317 9.582 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.720 10.637 -0.646 1.00 0.00 H new ATOM 584 N GLN A 43 1.531 13.435 -0.616 1.00 0.00 N ATOM 585 CA GLN A 43 2.214 14.690 -0.314 1.00 0.00 C ATOM 586 C GLN A 43 1.265 15.869 -0.482 1.00 0.00 C ATOM 587 O GLN A 43 1.314 16.828 0.287 1.00 0.00 O ATOM 588 CB GLN A 43 3.446 14.867 -1.204 1.00 0.00 C ATOM 589 CG GLN A 43 4.594 13.946 -0.830 1.00 0.00 C ATOM 590 CD GLN A 43 5.819 14.139 -1.707 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.681 14.970 -1.417 1.00 0.00 O ATOM 592 NE2 GLN A 43 5.905 13.371 -2.780 1.00 0.00 N ATOM 0 H GLN A 43 1.883 12.952 -1.442 1.00 0.00 H new ATOM 0 HA GLN A 43 2.544 14.655 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.166 14.684 -2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.784 15.901 -1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.868 14.120 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.261 12.911 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.169 12.695 -2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.708 13.454 -3.404 1.00 0.00 H new ATOM 601 N GLY A 44 0.388 15.780 -1.477 1.00 0.00 N ATOM 602 CA GLY A 44 -0.611 16.810 -1.683 1.00 0.00 C ATOM 603 C GLY A 44 -1.556 16.933 -0.500 1.00 0.00 C ATOM 604 O GLY A 44 -2.046 18.023 -0.195 1.00 0.00 O ATOM 0 H GLY A 44 0.352 15.010 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.116 17.766 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.184 16.584 -2.582 1.00 0.00 H new ATOM 608 N ALA A 45 -1.812 15.810 0.164 1.00 0.00 N ATOM 609 CA ALA A 45 -2.651 15.795 1.355 1.00 0.00 C ATOM 610 C ALA A 45 -1.864 16.260 2.578 1.00 0.00 C ATOM 611 O ALA A 45 -2.410 16.907 3.471 1.00 0.00 O ATOM 612 CB ALA A 45 -3.220 14.402 1.589 1.00 0.00 C ATOM 0 H ALA A 45 -1.448 14.896 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.478 16.487 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.844 14.409 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.821 14.105 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.403 13.693 1.723 1.00 0.00 H new ATOM 618 N GLY A 46 -0.575 15.936 2.604 1.00 0.00 N ATOM 619 CA GLY A 46 0.279 16.371 3.694 1.00 0.00 C ATOM 620 C GLY A 46 1.021 15.231 4.371 1.00 0.00 C ATOM 621 O GLY A 46 1.288 15.287 5.573 1.00 0.00 O ATOM 0 H GLY A 46 -0.106 15.380 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.004 17.091 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.327 16.891 4.436 1.00 0.00 H new ATOM 625 N PHE A 47 1.352 14.194 3.611 1.00 0.00 N ATOM 626 CA PHE A 47 2.139 13.081 4.140 1.00 0.00 C ATOM 627 C PHE A 47 3.622 13.331 3.875 1.00 0.00 C ATOM 628 O PHE A 47 3.978 14.191 3.069 1.00 0.00 O ATOM 629 CB PHE A 47 1.758 11.744 3.481 1.00 0.00 C ATOM 630 CG PHE A 47 0.325 11.287 3.642 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.693 12.164 3.977 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.002 9.965 3.394 1.00 0.00 C ATOM 633 CE1 PHE A 47 -2.004 11.730 4.058 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.302 9.519 3.482 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.308 10.405 3.810 1.00 0.00 C ATOM 0 H PHE A 47 1.090 14.098 2.630 1.00 0.00 H new ATOM 0 HA PHE A 47 1.934 13.019 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.973 11.817 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.409 10.969 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.461 13.199 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.784 9.269 3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.789 12.426 4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.534 8.481 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.331 10.064 3.873 1.00 0.00 H new ATOM 645 N THR A 48 4.477 12.570 4.539 1.00 0.00 N ATOM 646 CA THR A 48 5.908 12.623 4.277 1.00 0.00 C ATOM 647 C THR A 48 6.362 11.312 3.653 1.00 0.00 C ATOM 648 O THR A 48 6.248 10.256 4.271 1.00 0.00 O ATOM 649 CB THR A 48 6.711 12.854 5.568 1.00 0.00 C ATOM 650 OG1 THR A 48 6.087 13.877 6.359 1.00 0.00 O ATOM 651 CG2 THR A 48 8.140 13.262 5.245 1.00 0.00 C ATOM 0 H THR A 48 4.205 11.907 5.265 1.00 0.00 H new ATOM 0 HA THR A 48 6.089 13.456 3.598 1.00 0.00 H new ATOM 0 HB THR A 48 6.730 11.921 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.604 14.017 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.691 13.421 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.622 12.474 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.133 14.185 4.665 1.00 0.00 H new ATOM 659 N VAL A 49 6.870 11.362 2.438 1.00 0.00 N ATOM 660 CA VAL A 49 7.272 10.142 1.770 1.00 0.00 C ATOM 661 C VAL A 49 8.786 10.082 1.601 1.00 0.00 C ATOM 662 O VAL A 49 9.443 11.086 1.317 1.00 0.00 O ATOM 663 CB VAL A 49 6.564 9.954 0.394 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.238 10.694 0.357 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.447 10.362 -0.779 1.00 0.00 C ATOM 0 H VAL A 49 7.012 12.218 1.902 1.00 0.00 H new ATOM 0 HA VAL A 49 6.957 9.319 2.412 1.00 0.00 H new ATOM 0 HB VAL A 49 6.368 8.887 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.766 10.546 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.585 10.310 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.411 11.758 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.905 10.211 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.717 11.414 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.352 9.754 -0.782 1.00 0.00 H new ATOM 675 N ASN A 50 9.329 8.905 1.841 1.00 0.00 N ATOM 676 CA ASN A 50 10.693 8.588 1.487 1.00 0.00 C ATOM 677 C ASN A 50 10.613 7.288 0.720 1.00 0.00 C ATOM 678 O ASN A 50 9.658 7.067 -0.022 1.00 0.00 O ATOM 679 CB ASN A 50 11.597 8.406 2.722 1.00 0.00 C ATOM 680 CG ASN A 50 11.406 9.463 3.791 1.00 0.00 C ATOM 681 OD1 ASN A 50 11.946 10.565 3.699 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.689 9.102 4.846 1.00 0.00 N ATOM 0 H ASN A 50 8.830 8.138 2.291 1.00 0.00 H new ATOM 0 HA ASN A 50 11.133 9.401 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.405 7.425 3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.639 8.414 2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.567 9.749 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.259 8.177 4.879 1.00 0.00 H new ATOM 689 N HIS A 51 11.570 6.414 0.924 1.00 0.00 N ATOM 690 CA HIS A 51 11.474 5.075 0.378 1.00 0.00 C ATOM 691 C HIS A 51 12.264 4.081 1.219 1.00 0.00 C ATOM 692 O HIS A 51 13.439 3.815 0.969 1.00 0.00 O ATOM 693 CB HIS A 51 11.898 5.029 -1.105 1.00 0.00 C ATOM 694 CG HIS A 51 13.203 5.700 -1.430 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.292 7.018 -1.826 1.00 0.00 N ATOM 696 CD2 HIS A 51 14.471 5.222 -1.446 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.553 7.316 -2.074 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.289 6.246 -1.852 1.00 0.00 N ATOM 0 H HIS A 51 12.418 6.600 1.459 1.00 0.00 H new ATOM 0 HA HIS A 51 10.425 4.780 0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.960 3.986 -1.414 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.113 5.492 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.780 4.220 -1.187 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.921 8.276 -2.404 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.301 6.188 -1.964 1.00 0.00 H new ATOM 707 N THR A 52 11.604 3.558 2.239 1.00 0.00 N ATOM 708 CA THR A 52 12.212 2.614 3.165 1.00 0.00 C ATOM 709 C THR A 52 11.119 1.839 3.899 1.00 0.00 C ATOM 710 O THR A 52 10.550 2.346 4.858 1.00 0.00 O ATOM 711 CB THR A 52 13.103 3.343 4.203 1.00 0.00 C ATOM 712 OG1 THR A 52 14.127 4.098 3.536 1.00 0.00 O ATOM 713 CG2 THR A 52 13.750 2.350 5.161 1.00 0.00 C ATOM 0 H THR A 52 10.630 3.776 2.450 1.00 0.00 H new ATOM 0 HA THR A 52 12.836 1.930 2.590 1.00 0.00 H new ATOM 0 HB THR A 52 12.466 4.018 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.192 3.808 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.370 2.888 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.974 1.799 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.370 1.652 4.598 1.00 0.00 H new ATOM 721 N PRO A 53 10.784 0.619 3.439 1.00 0.00 N ATOM 722 CA PRO A 53 9.736 -0.202 4.064 1.00 0.00 C ATOM 723 C PRO A 53 9.960 -0.420 5.562 1.00 0.00 C ATOM 724 O PRO A 53 11.099 -0.526 6.026 1.00 0.00 O ATOM 725 CB PRO A 53 9.821 -1.539 3.314 1.00 0.00 C ATOM 726 CG PRO A 53 11.136 -1.509 2.606 1.00 0.00 C ATOM 727 CD PRO A 53 11.388 -0.067 2.288 1.00 0.00 C ATOM 0 HA PRO A 53 8.762 0.283 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.764 -2.381 4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.997 -1.648 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.929 -1.917 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.107 -2.112 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.453 0.149 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.922 0.229 1.348 1.00 0.00 H new ATOM 735 N SER A 54 8.863 -0.509 6.303 1.00 0.00 N ATOM 736 CA SER A 54 8.909 -0.630 7.749 1.00 0.00 C ATOM 737 C SER A 54 7.578 -1.165 8.268 1.00 0.00 C ATOM 738 O SER A 54 6.540 -0.986 7.626 1.00 0.00 O ATOM 739 CB SER A 54 9.234 0.733 8.376 1.00 0.00 C ATOM 740 OG SER A 54 8.440 1.764 7.804 1.00 0.00 O ATOM 0 H SER A 54 7.919 -0.499 5.916 1.00 0.00 H new ATOM 0 HA SER A 54 9.693 -1.333 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.062 0.692 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.290 0.961 8.231 1.00 0.00 H new ATOM 0 HG SER A 54 8.666 2.621 8.222 1.00 0.00 H new ATOM 746 N LYS A 55 7.619 -1.845 9.407 1.00 0.00 N ATOM 747 CA LYS A 55 6.423 -2.417 10.017 1.00 0.00 C ATOM 748 C LYS A 55 5.365 -1.345 10.280 1.00 0.00 C ATOM 749 O LYS A 55 5.546 -0.473 11.131 1.00 0.00 O ATOM 750 CB LYS A 55 6.798 -3.124 11.325 1.00 0.00 C ATOM 751 CG LYS A 55 5.613 -3.701 12.083 1.00 0.00 C ATOM 752 CD LYS A 55 6.035 -4.442 13.348 1.00 0.00 C ATOM 753 CE LYS A 55 6.507 -3.503 14.456 1.00 0.00 C ATOM 754 NZ LYS A 55 7.882 -2.975 14.230 1.00 0.00 N ATOM 0 H LYS A 55 8.477 -2.015 9.932 1.00 0.00 H new ATOM 0 HA LYS A 55 5.997 -3.141 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.499 -3.928 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.319 -2.417 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.928 -2.896 12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.066 -4.383 11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.196 -5.034 13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.836 -5.140 13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.812 -2.667 14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.480 -4.032 15.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.437 -3.065 15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.342 -3.518 13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.828 -1.973 13.955 1.00 0.00 H new ATOM 768 N GLY A 56 4.267 -1.409 9.534 1.00 0.00 N ATOM 769 CA GLY A 56 3.182 -0.467 9.726 1.00 0.00 C ATOM 770 C GLY A 56 3.054 0.516 8.578 1.00 0.00 C ATOM 771 O GLY A 56 2.016 1.165 8.425 1.00 0.00 O ATOM 0 H GLY A 56 4.110 -2.098 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.246 -1.014 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.342 0.082 10.654 1.00 0.00 H new ATOM 775 N ALA A 57 4.107 0.633 7.776 1.00 0.00 N ATOM 776 CA ALA A 57 4.104 1.546 6.641 1.00 0.00 C ATOM 777 C ALA A 57 3.493 0.879 5.417 1.00 0.00 C ATOM 778 O ALA A 57 2.986 -0.238 5.498 1.00 0.00 O ATOM 779 CB ALA A 57 5.515 2.019 6.339 1.00 0.00 C ATOM 0 H ALA A 57 4.973 0.107 7.892 1.00 0.00 H new ATOM 0 HA ALA A 57 3.495 2.412 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.496 2.700 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.920 2.536 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.144 1.161 6.102 1.00 0.00 H new ATOM 785 N ILE A 58 3.529 1.560 4.281 1.00 0.00 N ATOM 786 CA ILE A 58 2.949 1.023 3.064 1.00 0.00 C ATOM 787 C ILE A 58 3.895 1.187 1.882 1.00 0.00 C ATOM 788 O ILE A 58 4.447 2.259 1.659 1.00 0.00 O ATOM 789 CB ILE A 58 1.612 1.703 2.742 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.719 1.696 3.984 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.940 0.984 1.581 1.00 0.00 C ATOM 792 CD1 ILE A 58 -0.545 2.508 3.850 1.00 0.00 C ATOM 0 H ILE A 58 3.953 2.482 4.179 1.00 0.00 H new ATOM 0 HA ILE A 58 2.777 -0.040 3.234 1.00 0.00 H new ATOM 0 HB ILE A 58 1.785 2.739 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.451 0.666 4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.292 2.076 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.010 1.468 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.587 1.024 0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.761 -0.056 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.117 2.447 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.289 3.548 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.144 2.116 3.027 1.00 0.00 H new ATOM 804 N LEU A 59 4.055 0.108 1.137 1.00 0.00 N ATOM 805 CA LEU A 59 4.937 0.050 -0.016 1.00 0.00 C ATOM 806 C LEU A 59 4.306 0.779 -1.200 1.00 0.00 C ATOM 807 O LEU A 59 3.097 0.680 -1.411 1.00 0.00 O ATOM 808 CB LEU A 59 5.152 -1.418 -0.381 1.00 0.00 C ATOM 809 CG LEU A 59 6.434 -1.743 -1.121 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.590 -1.855 -0.138 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.264 -3.026 -1.917 1.00 0.00 C ATOM 0 H LEU A 59 3.567 -0.769 1.319 1.00 0.00 H new ATOM 0 HA LEU A 59 5.887 0.529 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.128 -2.006 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.311 -1.746 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 59 6.661 -0.938 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.507 -2.089 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.712 -0.909 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.381 -2.647 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.190 -3.252 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.024 -3.845 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.456 -2.903 -2.638 1.00 0.00 H new ATOM 823 N GLN A 60 5.111 1.500 -1.970 1.00 0.00 N ATOM 824 CA GLN A 60 4.595 2.226 -3.122 1.00 0.00 C ATOM 825 C GLN A 60 5.632 2.313 -4.231 1.00 0.00 C ATOM 826 O GLN A 60 6.830 2.408 -3.984 1.00 0.00 O ATOM 827 CB GLN A 60 4.146 3.631 -2.695 1.00 0.00 C ATOM 828 CG GLN A 60 3.297 4.379 -3.718 1.00 0.00 C ATOM 829 CD GLN A 60 4.097 5.141 -4.762 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.223 5.574 -4.514 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.501 5.341 -5.931 1.00 0.00 N ATOM 0 H GLN A 60 6.115 1.597 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 60 3.737 1.680 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.580 3.548 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.032 4.227 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.648 3.665 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.649 5.080 -3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.567 4.966 -6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.977 5.870 -6.662 1.00 0.00 H new ATOM 840 N SER A 61 5.150 2.246 -5.456 1.00 0.00 N ATOM 841 CA SER A 61 5.972 2.458 -6.626 1.00 0.00 C ATOM 842 C SER A 61 5.121 3.101 -7.709 1.00 0.00 C ATOM 843 O SER A 61 4.041 2.605 -8.033 1.00 0.00 O ATOM 844 CB SER A 61 6.560 1.136 -7.123 1.00 0.00 C ATOM 845 OG SER A 61 7.426 1.342 -8.223 1.00 0.00 O ATOM 0 H SER A 61 4.173 2.042 -5.667 1.00 0.00 H new ATOM 0 HA SER A 61 6.804 3.115 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.105 0.650 -6.314 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.753 0.463 -7.413 1.00 0.00 H new ATOM 0 HG SER A 61 7.789 0.481 -8.519 1.00 0.00 H new ATOM 851 N SER A 62 5.590 4.213 -8.248 1.00 0.00 N ATOM 852 CA SER A 62 4.847 4.920 -9.277 1.00 0.00 C ATOM 853 C SER A 62 5.116 4.297 -10.642 1.00 0.00 C ATOM 854 O SER A 62 4.498 4.659 -11.641 1.00 0.00 O ATOM 855 CB SER A 62 5.234 6.398 -9.268 1.00 0.00 C ATOM 856 OG SER A 62 5.230 6.905 -7.939 1.00 0.00 O ATOM 0 H SER A 62 6.478 4.645 -7.992 1.00 0.00 H new ATOM 0 HA SER A 62 3.780 4.838 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.223 6.524 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.536 6.967 -9.883 1.00 0.00 H new ATOM 0 HG SER A 62 4.412 7.424 -7.789 1.00 0.00 H new ATOM 862 N GLU A 63 6.041 3.345 -10.674 1.00 0.00 N ATOM 863 CA GLU A 63 6.371 2.649 -11.903 1.00 0.00 C ATOM 864 C GLU A 63 5.437 1.464 -12.105 1.00 0.00 C ATOM 865 O GLU A 63 5.444 0.507 -11.327 1.00 0.00 O ATOM 866 CB GLU A 63 7.825 2.179 -11.883 1.00 0.00 C ATOM 867 CG GLU A 63 8.827 3.318 -11.783 1.00 0.00 C ATOM 868 CD GLU A 63 10.257 2.840 -11.905 1.00 0.00 C ATOM 869 OE1 GLU A 63 10.689 2.539 -13.035 1.00 0.00 O ATOM 870 OE2 GLU A 63 10.955 2.759 -10.874 1.00 0.00 O ATOM 0 H GLU A 63 6.574 3.040 -9.860 1.00 0.00 H new ATOM 0 HA GLU A 63 6.245 3.342 -12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.969 1.503 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.026 1.606 -12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.623 4.048 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.698 3.829 -10.829 1.00 0.00 H new ATOM 877 N GLY A 64 4.619 1.547 -13.140 1.00 0.00 N ATOM 878 CA GLY A 64 3.677 0.490 -13.429 1.00 0.00 C ATOM 879 C GLY A 64 2.420 1.034 -14.074 1.00 0.00 C ATOM 880 O GLY A 64 2.334 2.236 -14.330 1.00 0.00 O ATOM 0 H GLY A 64 4.591 2.333 -13.789 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.140 -0.242 -14.091 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.419 -0.032 -12.508 1.00 0.00 H new ATOM 884 N PRO A 65 1.426 0.176 -14.349 1.00 0.00 N ATOM 885 CA PRO A 65 0.170 0.606 -14.964 1.00 0.00 C ATOM 886 C PRO A 65 -0.631 1.515 -14.038 1.00 0.00 C ATOM 887 O PRO A 65 -0.829 2.695 -14.322 1.00 0.00 O ATOM 888 CB PRO A 65 -0.582 -0.704 -15.227 1.00 0.00 C ATOM 889 CG PRO A 65 0.034 -1.708 -14.308 1.00 0.00 C ATOM 890 CD PRO A 65 1.455 -1.272 -14.084 1.00 0.00 C ATOM 0 HA PRO A 65 0.336 1.190 -15.869 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.648 -0.592 -15.028 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.483 -1.012 -16.268 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.510 -1.754 -13.365 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.001 -2.706 -14.745 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.783 -1.486 -13.067 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.142 -1.788 -14.755 1.00 0.00 H new ATOM 898 N PHE A 66 -1.064 0.964 -12.914 1.00 0.00 N ATOM 899 CA PHE A 66 -1.816 1.724 -11.930 1.00 0.00 C ATOM 900 C PHE A 66 -0.962 1.986 -10.701 1.00 0.00 C ATOM 901 O PHE A 66 -1.477 2.327 -9.641 1.00 0.00 O ATOM 902 CB PHE A 66 -3.088 0.973 -11.528 1.00 0.00 C ATOM 903 CG PHE A 66 -4.074 0.803 -12.649 1.00 0.00 C ATOM 904 CD1 PHE A 66 -5.046 1.763 -12.884 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.028 -0.314 -13.467 1.00 0.00 C ATOM 906 CE1 PHE A 66 -5.955 1.609 -13.913 1.00 0.00 C ATOM 907 CE2 PHE A 66 -4.935 -0.473 -14.497 1.00 0.00 C ATOM 908 CZ PHE A 66 -5.898 0.491 -14.721 1.00 0.00 C ATOM 0 H PHE A 66 -0.906 -0.011 -12.661 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.098 2.677 -12.377 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.813 -0.010 -11.147 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.571 1.508 -10.710 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.093 2.640 -12.256 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.275 -1.069 -13.298 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.709 2.362 -14.085 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.891 -1.350 -15.126 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.606 0.370 -15.528 1.00 0.00 H new ATOM 918 N GLY A 67 0.348 1.833 -10.863 1.00 0.00 N ATOM 919 CA GLY A 67 1.268 2.037 -9.760 1.00 0.00 C ATOM 920 C GLY A 67 1.563 0.746 -9.031 1.00 0.00 C ATOM 921 O GLY A 67 1.570 -0.320 -9.644 1.00 0.00 O ATOM 0 H GLY A 67 0.791 1.570 -11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.198 2.463 -10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.845 2.760 -9.063 1.00 0.00 H new ATOM 925 N HIS A 68 1.810 0.831 -7.727 1.00 0.00 N ATOM 926 CA HIS A 68 2.065 -0.356 -6.923 1.00 0.00 C ATOM 927 C HIS A 68 2.047 -0.011 -5.441 1.00 0.00 C ATOM 928 O HIS A 68 3.051 0.450 -4.915 1.00 0.00 O ATOM 929 CB HIS A 68 3.434 -0.951 -7.276 1.00 0.00 C ATOM 930 CG HIS A 68 3.577 -2.406 -6.941 1.00 0.00 C ATOM 931 ND1 HIS A 68 4.317 -3.275 -7.709 1.00 0.00 N ATOM 932 CD2 HIS A 68 3.072 -3.146 -5.922 1.00 0.00 C ATOM 933 CE1 HIS A 68 4.259 -4.484 -7.184 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.510 -4.433 -6.097 1.00 0.00 N ATOM 0 H HIS A 68 1.839 1.708 -7.207 1.00 0.00 H new ATOM 0 HA HIS A 68 1.281 -1.083 -7.136 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.612 -0.816 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.207 -0.391 -6.750 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.442 -2.787 -5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.742 -5.366 -7.577 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.293 -5.222 -5.488 1.00 0.00 H new ATOM 943 N VAL A 69 0.919 -0.210 -4.766 1.00 0.00 N ATOM 944 CA VAL A 69 0.894 -0.035 -3.328 1.00 0.00 C ATOM 945 C VAL A 69 0.599 -1.344 -2.623 1.00 0.00 C ATOM 946 O VAL A 69 -0.238 -2.135 -3.061 1.00 0.00 O ATOM 947 CB VAL A 69 -0.117 1.038 -2.901 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.252 2.347 -3.560 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.544 0.639 -3.252 1.00 0.00 C ATOM 0 H VAL A 69 0.031 -0.486 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 69 1.887 0.304 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.078 1.147 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.460 3.117 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.255 2.641 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.228 2.228 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.230 1.424 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.628 0.499 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.797 -0.292 -2.744 1.00 0.00 H new ATOM 959 N ALA A 70 1.329 -1.572 -1.552 1.00 0.00 N ATOM 960 CA ALA A 70 1.220 -2.796 -0.789 1.00 0.00 C ATOM 961 C ALA A 70 1.449 -2.504 0.677 1.00 0.00 C ATOM 962 O ALA A 70 2.486 -1.974 1.051 1.00 0.00 O ATOM 963 CB ALA A 70 2.235 -3.807 -1.289 1.00 0.00 C ATOM 0 H ALA A 70 2.016 -0.913 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 70 0.220 -3.212 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.148 -4.727 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.047 -4.021 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.240 -3.400 -1.175 1.00 0.00 H new ATOM 969 N TYR A 71 0.496 -2.853 1.513 1.00 0.00 N ATOM 970 CA TYR A 71 0.599 -2.535 2.923 1.00 0.00 C ATOM 971 C TYR A 71 1.688 -3.383 3.574 1.00 0.00 C ATOM 972 O TYR A 71 1.694 -4.607 3.439 1.00 0.00 O ATOM 973 CB TYR A 71 -0.750 -2.746 3.608 1.00 0.00 C ATOM 974 CG TYR A 71 -0.677 -2.672 5.112 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.720 -1.450 5.767 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.565 -3.826 5.875 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.650 -1.379 7.143 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.497 -3.762 7.253 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.541 -2.535 7.882 1.00 0.00 C ATOM 980 OH TYR A 71 -0.475 -2.466 9.255 1.00 0.00 O ATOM 0 H TYR A 71 -0.352 -3.353 1.246 1.00 0.00 H new ATOM 0 HA TYR A 71 0.875 -1.487 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.453 -1.994 3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.148 -3.719 3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.810 -0.541 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.531 -4.787 5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.681 -0.420 7.638 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.410 -4.668 7.835 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.401 -3.371 9.625 1.00 0.00 H new ATOM 990 N VAL A 72 2.615 -2.723 4.258 1.00 0.00 N ATOM 991 CA VAL A 72 3.763 -3.394 4.851 1.00 0.00 C ATOM 992 C VAL A 72 3.434 -3.888 6.250 1.00 0.00 C ATOM 993 O VAL A 72 3.190 -3.093 7.159 1.00 0.00 O ATOM 994 CB VAL A 72 4.992 -2.460 4.928 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.210 -3.213 5.445 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.280 -1.822 3.577 1.00 0.00 C ATOM 0 H VAL A 72 2.592 -1.716 4.416 1.00 0.00 H new ATOM 0 HA VAL A 72 4.003 -4.240 4.207 1.00 0.00 H new ATOM 0 HB VAL A 72 4.763 -1.660 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.063 -2.537 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.001 -3.602 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.439 -4.040 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.150 -1.170 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.480 -2.601 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.417 -1.237 3.260 1.00 0.00 H new ATOM 1006 N GLU A 73 3.435 -5.198 6.419 1.00 0.00 N ATOM 1007 CA GLU A 73 3.141 -5.794 7.706 1.00 0.00 C ATOM 1008 C GLU A 73 4.358 -5.727 8.622 1.00 0.00 C ATOM 1009 O GLU A 73 4.214 -5.553 9.833 1.00 0.00 O ATOM 1010 CB GLU A 73 2.674 -7.239 7.525 1.00 0.00 C ATOM 1011 CG GLU A 73 1.249 -7.353 7.000 1.00 0.00 C ATOM 1012 CD GLU A 73 0.209 -6.975 8.038 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.587 -6.654 9.186 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.996 -7.003 7.712 1.00 0.00 O ATOM 0 H GLU A 73 3.637 -5.869 5.678 1.00 0.00 H new ATOM 0 HA GLU A 73 2.336 -5.228 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.349 -7.747 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.744 -7.758 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.135 -6.710 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.070 -8.376 6.668 1.00 0.00 H new ATOM 1021 N SER A 74 5.553 -5.841 8.036 1.00 0.00 N ATOM 1022 CA SER A 74 6.797 -5.785 8.798 1.00 0.00 C ATOM 1023 C SER A 74 7.994 -6.073 7.900 1.00 0.00 C ATOM 1024 O SER A 74 7.845 -6.601 6.795 1.00 0.00 O ATOM 1025 CB SER A 74 6.776 -6.801 9.947 1.00 0.00 C ATOM 1026 OG SER A 74 7.845 -6.578 10.849 1.00 0.00 O ATOM 0 H SER A 74 5.682 -5.973 7.033 1.00 0.00 H new ATOM 0 HA SER A 74 6.888 -4.779 9.208 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.827 -6.732 10.479 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.842 -7.811 9.543 1.00 0.00 H new ATOM 0 HG SER A 74 7.806 -7.238 11.572 1.00 0.00 H new ATOM 1032 N VAL A 75 9.180 -5.726 8.377 1.00 0.00 N ATOM 1033 CA VAL A 75 10.414 -6.063 7.691 1.00 0.00 C ATOM 1034 C VAL A 75 11.129 -7.155 8.471 1.00 0.00 C ATOM 1035 O VAL A 75 11.349 -7.023 9.675 1.00 0.00 O ATOM 1036 CB VAL A 75 11.348 -4.843 7.530 1.00 0.00 C ATOM 1037 CG1 VAL A 75 12.618 -5.223 6.773 1.00 0.00 C ATOM 1038 CG2 VAL A 75 10.621 -3.708 6.827 1.00 0.00 C ATOM 0 H VAL A 75 9.312 -5.206 9.245 1.00 0.00 H new ATOM 0 HA VAL A 75 10.159 -6.408 6.689 1.00 0.00 H new ATOM 0 HB VAL A 75 11.640 -4.503 8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.258 -4.346 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.150 -6.000 7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.354 -5.594 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.293 -2.856 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.297 -4.039 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.751 -3.414 7.415 1.00 0.00 H new ATOM 1048 N ASN A 76 11.478 -8.231 7.792 1.00 0.00 N ATOM 1049 CA ASN A 76 12.050 -9.392 8.452 1.00 0.00 C ATOM 1050 C ASN A 76 13.535 -9.187 8.704 1.00 0.00 C ATOM 1051 O ASN A 76 14.168 -8.337 8.075 1.00 0.00 O ATOM 1052 CB ASN A 76 11.835 -10.650 7.609 1.00 0.00 C ATOM 1053 CG ASN A 76 10.371 -10.927 7.335 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.698 -11.613 8.101 1.00 0.00 O ATOM 1055 ND2 ASN A 76 9.869 -10.396 6.232 1.00 0.00 N ATOM 0 H ASN A 76 11.376 -8.327 6.782 1.00 0.00 H new ATOM 0 HA ASN A 76 11.545 -9.519 9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.364 -10.542 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.273 -11.506 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.890 -10.550 5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.461 -9.832 5.622 1.00 0.00 H new ATOM 1062 N SER A 77 14.092 -9.990 9.601 1.00 0.00 N ATOM 1063 CA SER A 77 15.498 -9.889 9.964 1.00 0.00 C ATOM 1064 C SER A 77 16.393 -10.367 8.819 1.00 0.00 C ATOM 1065 O SER A 77 17.611 -10.194 8.849 1.00 0.00 O ATOM 1066 CB SER A 77 15.767 -10.713 11.224 1.00 0.00 C ATOM 1067 OG SER A 77 14.890 -10.337 12.276 1.00 0.00 O ATOM 0 H SER A 77 13.585 -10.725 10.094 1.00 0.00 H new ATOM 0 HA SER A 77 15.731 -8.843 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.642 -11.773 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.801 -10.573 11.540 1.00 0.00 H new ATOM 0 HG SER A 77 15.080 -10.879 13.070 1.00 0.00 H new ATOM 1073 N ASP A 78 15.772 -10.964 7.807 1.00 0.00 N ATOM 1074 CA ASP A 78 16.492 -11.441 6.630 1.00 0.00 C ATOM 1075 C ASP A 78 16.766 -10.297 5.664 1.00 0.00 C ATOM 1076 O ASP A 78 17.481 -10.465 4.677 1.00 0.00 O ATOM 1077 CB ASP A 78 15.683 -12.524 5.905 1.00 0.00 C ATOM 1078 CG ASP A 78 15.534 -13.799 6.709 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.639 -13.856 7.578 1.00 0.00 O ATOM 1080 OD2 ASP A 78 16.298 -14.755 6.461 1.00 0.00 O ATOM 0 H ASP A 78 14.766 -11.130 7.778 1.00 0.00 H new ATOM 0 HA ASP A 78 17.439 -11.860 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.693 -12.133 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.167 -12.755 4.956 1.00 0.00 H new ATOM 1085 N GLY A 79 16.191 -9.136 5.945 1.00 0.00 N ATOM 1086 CA GLY A 79 16.300 -8.016 5.030 1.00 0.00 C ATOM 1087 C GLY A 79 15.156 -8.008 4.039 1.00 0.00 C ATOM 1088 O GLY A 79 14.994 -7.068 3.262 1.00 0.00 O ATOM 0 H GLY A 79 15.651 -8.949 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.304 -7.082 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.248 -8.070 4.495 1.00 0.00 H new ATOM 1092 N SER A 80 14.360 -9.066 4.073 1.00 0.00 N ATOM 1093 CA SER A 80 13.197 -9.179 3.218 1.00 0.00 C ATOM 1094 C SER A 80 11.970 -8.619 3.930 1.00 0.00 C ATOM 1095 O SER A 80 11.823 -8.767 5.139 1.00 0.00 O ATOM 1096 CB SER A 80 12.978 -10.641 2.842 1.00 0.00 C ATOM 1097 OG SER A 80 14.155 -11.200 2.279 1.00 0.00 O ATOM 0 H SER A 80 14.504 -9.864 4.692 1.00 0.00 H new ATOM 0 HA SER A 80 13.360 -8.603 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.688 -11.209 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.157 -10.719 2.130 1.00 0.00 H new ATOM 0 HG SER A 80 13.993 -12.138 2.047 1.00 0.00 H new ATOM 1103 N VAL A 81 11.096 -7.977 3.180 1.00 0.00 N ATOM 1104 CA VAL A 81 9.937 -7.308 3.752 1.00 0.00 C ATOM 1105 C VAL A 81 8.655 -8.090 3.480 1.00 0.00 C ATOM 1106 O VAL A 81 8.428 -8.550 2.361 1.00 0.00 O ATOM 1107 CB VAL A 81 9.803 -5.882 3.178 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.613 -5.155 3.783 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.087 -5.101 3.412 1.00 0.00 C ATOM 0 H VAL A 81 11.165 -7.903 2.165 1.00 0.00 H new ATOM 0 HA VAL A 81 10.086 -7.253 4.830 1.00 0.00 H new ATOM 0 HB VAL A 81 9.631 -5.961 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.545 -4.153 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.699 -5.706 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.741 -5.084 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.981 -4.096 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.285 -5.038 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.916 -5.608 2.919 1.00 0.00 H new ATOM 1119 N THR A 82 7.832 -8.238 4.509 1.00 0.00 N ATOM 1120 CA THR A 82 6.551 -8.914 4.383 1.00 0.00 C ATOM 1121 C THR A 82 5.434 -7.897 4.182 1.00 0.00 C ATOM 1122 O THR A 82 5.219 -7.015 5.020 1.00 0.00 O ATOM 1123 CB THR A 82 6.252 -9.772 5.630 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.254 -10.784 5.776 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.882 -10.427 5.542 1.00 0.00 C ATOM 0 H THR A 82 8.033 -7.895 5.448 1.00 0.00 H new ATOM 0 HA THR A 82 6.603 -9.570 3.514 1.00 0.00 H new ATOM 0 HB THR A 82 6.260 -9.112 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.370 -10.995 6.726 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.706 -11.023 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.115 -9.657 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.842 -11.071 4.663 1.00 0.00 H new ATOM 1133 N ILE A 83 4.736 -8.017 3.064 1.00 0.00 N ATOM 1134 CA ILE A 83 3.652 -7.104 2.740 1.00 0.00 C ATOM 1135 C ILE A 83 2.361 -7.865 2.496 1.00 0.00 C ATOM 1136 O ILE A 83 2.372 -9.079 2.282 1.00 0.00 O ATOM 1137 CB ILE A 83 3.956 -6.274 1.478 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.221 -7.210 0.291 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.138 -5.344 1.725 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.215 -6.517 -1.049 1.00 0.00 C ATOM 0 H ILE A 83 4.902 -8.740 2.364 1.00 0.00 H new ATOM 0 HA ILE A 83 3.547 -6.437 3.595 1.00 0.00 H new ATOM 0 HB ILE A 83 3.092 -5.654 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.186 -7.696 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.466 -7.996 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.340 -4.765 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.903 -4.667 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.018 -5.934 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.410 -7.245 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.242 -6.054 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.989 -5.750 -1.065 1.00 0.00 H new ATOM 1152 N SER A 84 1.260 -7.141 2.517 1.00 0.00 N ATOM 1153 CA SER A 84 -0.027 -7.700 2.173 1.00 0.00 C ATOM 1154 C SER A 84 -0.734 -6.770 1.192 1.00 0.00 C ATOM 1155 O SER A 84 -1.338 -5.769 1.580 1.00 0.00 O ATOM 1156 CB SER A 84 -0.871 -7.918 3.431 1.00 0.00 C ATOM 1157 OG SER A 84 -2.017 -8.703 3.148 1.00 0.00 O ATOM 0 H SER A 84 1.234 -6.154 2.772 1.00 0.00 H new ATOM 0 HA SER A 84 0.114 -8.671 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.269 -8.410 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.178 -6.955 3.838 1.00 0.00 H new ATOM 0 HG SER A 84 -2.812 -8.266 3.517 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.599 -7.077 -0.089 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.246 -6.304 -1.141 1.00 0.00 C ATOM 1165 C GLU A 85 -2.388 -7.100 -1.759 1.00 0.00 C ATOM 1166 O GLU A 85 -2.191 -7.890 -2.674 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.237 -5.891 -2.228 1.00 0.00 C ATOM 1168 CG GLU A 85 0.662 -7.025 -2.700 1.00 0.00 C ATOM 1169 CD GLU A 85 1.411 -6.714 -3.987 1.00 0.00 C ATOM 1170 OE1 GLU A 85 2.484 -6.071 -3.931 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.942 -7.142 -5.065 1.00 0.00 O ATOM 0 H GLU A 85 -0.043 -7.862 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.650 -5.397 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.783 -5.493 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.386 -5.083 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.384 -7.255 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.057 -7.919 -2.849 1.00 0.00 H new ATOM 1178 N MET A 86 -3.585 -6.918 -1.239 1.00 0.00 N ATOM 1179 CA MET A 86 -4.744 -7.598 -1.782 1.00 0.00 C ATOM 1180 C MET A 86 -5.101 -7.037 -3.153 1.00 0.00 C ATOM 1181 O MET A 86 -5.197 -5.821 -3.326 1.00 0.00 O ATOM 1182 CB MET A 86 -5.929 -7.474 -0.827 1.00 0.00 C ATOM 1183 CG MET A 86 -7.191 -8.145 -1.336 1.00 0.00 C ATOM 1184 SD MET A 86 -8.515 -8.175 -0.111 1.00 0.00 S ATOM 1185 CE MET A 86 -7.792 -9.242 1.134 1.00 0.00 C ATOM 0 H MET A 86 -3.781 -6.308 -0.445 1.00 0.00 H new ATOM 0 HA MET A 86 -4.502 -8.654 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.658 -7.910 0.134 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.134 -6.418 -0.651 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.540 -7.623 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.957 -9.167 -1.636 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.498 -9.375 1.954 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.562 -10.212 0.693 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.876 -8.789 1.514 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.256 -7.941 -4.117 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.697 -7.605 -5.471 1.00 0.00 C ATOM 1197 C ASN A 87 -4.565 -6.976 -6.277 1.00 0.00 C ATOM 1198 O ASN A 87 -3.901 -7.664 -7.052 1.00 0.00 O ATOM 1199 CB ASN A 87 -6.928 -6.686 -5.427 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.521 -6.376 -6.790 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -6.820 -6.266 -7.790 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.828 -6.210 -6.827 1.00 0.00 N ATOM 0 H ASN A 87 -5.078 -8.936 -3.981 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.984 -8.528 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.694 -7.152 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.652 -5.750 -4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.288 -5.982 -7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.379 -6.309 -5.974 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.330 -5.685 -6.052 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.383 -4.902 -6.851 1.00 0.00 C ATOM 1211 C TYR A 88 -3.623 -5.064 -8.360 1.00 0.00 C ATOM 1212 O TYR A 88 -2.987 -5.888 -9.023 1.00 0.00 O ATOM 1213 CB TYR A 88 -1.932 -5.252 -6.485 1.00 0.00 C ATOM 1214 CG TYR A 88 -0.902 -4.644 -7.418 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -0.896 -3.282 -7.690 1.00 0.00 C ATOM 1216 CD2 TYR A 88 0.046 -5.441 -8.047 1.00 0.00 C ATOM 1217 CE1 TYR A 88 0.027 -2.734 -8.558 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.971 -4.900 -8.919 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.959 -3.546 -9.170 1.00 0.00 C ATOM 1220 OH TYR A 88 1.875 -3.001 -10.043 1.00 0.00 O ATOM 0 H TYR A 88 -4.788 -5.151 -5.313 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.555 -3.853 -6.611 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.732 -4.914 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.817 -6.336 -6.489 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.625 -2.642 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.060 -6.503 -7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.019 -1.673 -8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.699 -5.535 -9.401 1.00 0.00 H new ATOM 0 HH TYR A 88 1.935 -2.034 -9.893 1.00 0.00 H new ATOM 1230 N SER A 89 -4.575 -4.287 -8.878 1.00 0.00 N ATOM 1231 CA SER A 89 -4.822 -4.187 -10.319 1.00 0.00 C ATOM 1232 C SER A 89 -5.076 -5.552 -10.976 1.00 0.00 C ATOM 1233 O SER A 89 -4.804 -5.738 -12.166 1.00 0.00 O ATOM 1234 CB SER A 89 -3.633 -3.493 -10.990 1.00 0.00 C ATOM 1235 OG SER A 89 -3.389 -2.225 -10.401 1.00 0.00 O ATOM 0 H SER A 89 -5.197 -3.709 -8.312 1.00 0.00 H new ATOM 0 HA SER A 89 -5.730 -3.600 -10.456 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.744 -4.117 -10.900 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.831 -3.372 -12.055 1.00 0.00 H new ATOM 0 HG SER A 89 -2.434 -2.015 -10.461 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.624 -6.491 -10.219 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.868 -7.813 -10.753 1.00 0.00 C ATOM 1243 C GLY A 90 -7.188 -8.391 -10.289 1.00 0.00 C ATOM 1244 O GLY A 90 -8.255 -7.869 -10.623 1.00 0.00 O ATOM 0 H GLY A 90 -5.903 -6.361 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.857 -7.769 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.058 -8.478 -10.453 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.112 -9.455 -9.505 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.308 -10.136 -9.059 1.00 0.00 C ATOM 1250 C GLY A 91 -8.722 -9.721 -7.665 1.00 0.00 C ATOM 1251 O GLY A 91 -7.899 -9.713 -6.746 1.00 0.00 O ATOM 0 H GLY A 91 -6.239 -9.860 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.122 -9.928 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.139 -11.213 -9.079 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.997 -9.350 -7.480 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.538 -8.977 -6.173 1.00 0.00 C ATOM 1257 C PRO A 92 -10.254 -10.021 -5.096 1.00 0.00 C ATOM 1258 O PRO A 92 -10.480 -11.220 -5.290 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.041 -8.861 -6.429 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.145 -8.515 -7.871 1.00 0.00 C ATOM 1261 CD PRO A 92 -11.012 -9.238 -8.544 1.00 0.00 C ATOM 0 HA PRO A 92 -10.084 -8.061 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.555 -9.796 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.493 -8.092 -5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.106 -8.826 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.068 -7.438 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.321 -10.217 -8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.634 -8.682 -9.402 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.724 -9.540 -3.975 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.433 -10.355 -2.797 1.00 0.00 C ATOM 1271 C PHE A 93 -8.269 -11.319 -3.006 1.00 0.00 C ATOM 1272 O PHE A 93 -8.004 -12.156 -2.140 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.654 -11.135 -2.314 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.776 -10.271 -1.806 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -11.775 -9.813 -0.498 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.832 -9.922 -2.634 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -12.805 -9.022 -0.025 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.864 -9.132 -2.168 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.851 -8.681 -0.862 1.00 0.00 C ATOM 0 H PHE A 93 -9.480 -8.557 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.144 -9.638 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.026 -11.750 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.346 -11.815 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -10.960 -10.077 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -12.847 -10.272 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.793 -8.671 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -14.680 -8.867 -2.823 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.657 -8.063 -0.496 1.00 0.00 H new ATOM 1289 N SER A 94 -7.570 -11.221 -4.129 1.00 0.00 N ATOM 1290 CA SER A 94 -6.329 -11.962 -4.276 1.00 0.00 C ATOM 1291 C SER A 94 -5.273 -11.329 -3.393 1.00 0.00 C ATOM 1292 O SER A 94 -4.513 -10.476 -3.846 1.00 0.00 O ATOM 1293 CB SER A 94 -5.830 -11.985 -5.724 1.00 0.00 C ATOM 1294 OG SER A 94 -6.726 -12.684 -6.575 1.00 0.00 O ATOM 0 H SER A 94 -7.834 -10.650 -4.932 1.00 0.00 H new ATOM 0 HA SER A 94 -6.520 -12.994 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.708 -10.963 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.848 -12.456 -5.763 1.00 0.00 H new ATOM 0 HG SER A 94 -6.379 -12.678 -7.491 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.271 -11.690 -2.118 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.309 -11.140 -1.189 1.00 0.00 C ATOM 1302 C VAL A 95 -2.894 -11.551 -1.607 1.00 0.00 C ATOM 1303 O VAL A 95 -2.418 -12.646 -1.291 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.613 -11.546 0.277 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.796 -13.049 0.412 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.523 -11.047 1.214 1.00 0.00 C ATOM 0 H VAL A 95 -5.924 -12.359 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.384 -10.053 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.552 -11.073 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.007 -13.298 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.627 -13.372 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.885 -13.556 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.758 -11.344 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.566 -11.479 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.463 -9.960 1.156 1.00 0.00 H new ATOM 1316 N SER A 96 -2.249 -10.677 -2.366 1.00 0.00 N ATOM 1317 CA SER A 96 -0.960 -10.972 -2.954 1.00 0.00 C ATOM 1318 C SER A 96 0.104 -11.036 -1.878 1.00 0.00 C ATOM 1319 O SER A 96 0.534 -10.020 -1.330 1.00 0.00 O ATOM 1320 CB SER A 96 -0.616 -9.922 -4.015 1.00 0.00 C ATOM 1321 OG SER A 96 0.684 -10.104 -4.546 1.00 0.00 O ATOM 0 H SER A 96 -2.607 -9.748 -2.588 1.00 0.00 H new ATOM 0 HA SER A 96 -1.002 -11.946 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.347 -9.971 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.692 -8.927 -3.577 1.00 0.00 H new ATOM 0 HG SER A 96 1.049 -9.237 -4.823 1.00 0.00 H new ATOM 1327 N SER A 97 0.487 -12.250 -1.550 1.00 0.00 N ATOM 1328 CA SER A 97 1.514 -12.472 -0.551 1.00 0.00 C ATOM 1329 C SER A 97 2.897 -12.395 -1.190 1.00 0.00 C ATOM 1330 O SER A 97 3.336 -13.324 -1.869 1.00 0.00 O ATOM 1331 CB SER A 97 1.292 -13.821 0.126 1.00 0.00 C ATOM 1332 OG SER A 97 -0.043 -13.922 0.598 1.00 0.00 O ATOM 0 H SER A 97 0.103 -13.101 -1.960 1.00 0.00 H new ATOM 0 HA SER A 97 1.454 -11.693 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.498 -14.627 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.988 -13.938 0.956 1.00 0.00 H new ATOM 0 HG SER A 97 -0.173 -14.793 1.029 1.00 0.00 H new ATOM 1338 N ARG A 98 3.564 -11.268 -0.987 1.00 0.00 N ATOM 1339 CA ARG A 98 4.873 -11.033 -1.579 1.00 0.00 C ATOM 1340 C ARG A 98 5.927 -10.804 -0.510 1.00 0.00 C ATOM 1341 O ARG A 98 5.611 -10.538 0.652 1.00 0.00 O ATOM 1342 CB ARG A 98 4.840 -9.827 -2.519 1.00 0.00 C ATOM 1343 CG ARG A 98 4.121 -10.083 -3.829 1.00 0.00 C ATOM 1344 CD ARG A 98 4.143 -8.848 -4.714 1.00 0.00 C ATOM 1345 NE ARG A 98 5.504 -8.433 -5.060 1.00 0.00 N ATOM 1346 CZ ARG A 98 5.964 -7.190 -4.915 1.00 0.00 C ATOM 1347 NH1 ARG A 98 5.192 -6.244 -4.390 1.00 0.00 N ATOM 1348 NH2 ARG A 98 7.201 -6.897 -5.292 1.00 0.00 N ATOM 0 H ARG A 98 3.218 -10.498 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 98 5.133 -11.926 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.356 -8.995 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.863 -9.518 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.593 -10.916 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.089 -10.374 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.584 -9.049 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.635 -8.030 -4.204 1.00 0.00 H new ATOM 0 HE ARG A 98 6.139 -9.138 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.241 -6.467 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.550 -5.295 -4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.798 -7.622 -5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.556 -5.947 -5.182 1.00 0.00 H new ATOM 1362 N THR A 99 7.180 -10.918 -0.914 1.00 0.00 N ATOM 1363 CA THR A 99 8.301 -10.659 -0.031 1.00 0.00 C ATOM 1364 C THR A 99 9.346 -9.809 -0.753 1.00 0.00 C ATOM 1365 O THR A 99 9.931 -10.234 -1.752 1.00 0.00 O ATOM 1366 CB THR A 99 8.935 -11.976 0.456 1.00 0.00 C ATOM 1367 OG1 THR A 99 7.911 -12.827 0.991 1.00 0.00 O ATOM 1368 CG2 THR A 99 9.982 -11.712 1.526 1.00 0.00 C ATOM 0 H THR A 99 7.447 -11.192 -1.860 1.00 0.00 H new ATOM 0 HA THR A 99 7.934 -10.116 0.840 1.00 0.00 H new ATOM 0 HB THR A 99 9.421 -12.461 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.312 -13.666 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.414 -12.658 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.767 -11.076 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.516 -11.213 2.376 1.00 0.00 H new ATOM 1376 N ILE A 100 9.554 -8.596 -0.259 1.00 0.00 N ATOM 1377 CA ILE A 100 10.472 -7.657 -0.893 1.00 0.00 C ATOM 1378 C ILE A 100 11.887 -7.844 -0.373 1.00 0.00 C ATOM 1379 O ILE A 100 12.156 -7.605 0.799 1.00 0.00 O ATOM 1380 CB ILE A 100 10.064 -6.177 -0.663 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.752 -5.836 -1.360 1.00 0.00 C ATOM 1382 CG2 ILE A 100 11.150 -5.238 -1.149 1.00 0.00 C ATOM 1383 CD1 ILE A 100 7.536 -6.354 -0.646 1.00 0.00 C ATOM 0 H ILE A 100 9.099 -8.238 0.581 1.00 0.00 H new ATOM 0 HA ILE A 100 10.427 -7.872 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 100 9.926 -6.049 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.672 -4.753 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.771 -6.245 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.842 -4.206 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.073 -5.437 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.316 -5.395 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.641 -6.073 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.592 -7.440 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.492 -5.925 0.355 1.00 0.00 H new ATOM 1395 N SER A 101 12.780 -8.295 -1.231 1.00 0.00 N ATOM 1396 CA SER A 101 14.185 -8.311 -0.908 1.00 0.00 C ATOM 1397 C SER A 101 14.730 -6.882 -0.916 1.00 0.00 C ATOM 1398 O SER A 101 14.182 -6.014 -1.599 1.00 0.00 O ATOM 1399 CB SER A 101 14.921 -9.205 -1.901 1.00 0.00 C ATOM 1400 OG SER A 101 14.225 -9.271 -3.133 1.00 0.00 O ATOM 0 H SER A 101 12.553 -8.655 -2.158 1.00 0.00 H new ATOM 0 HA SER A 101 14.339 -8.719 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.927 -8.820 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.028 -10.207 -1.485 1.00 0.00 H new ATOM 0 HG SER A 101 14.616 -8.632 -3.764 1.00 0.00 H new ATOM 1406 N ALA A 102 15.792 -6.639 -0.148 1.00 0.00 N ATOM 1407 CA ALA A 102 16.369 -5.297 -0.007 1.00 0.00 C ATOM 1408 C ALA A 102 16.595 -4.614 -1.361 1.00 0.00 C ATOM 1409 O ALA A 102 16.453 -3.391 -1.483 1.00 0.00 O ATOM 1410 CB ALA A 102 17.671 -5.376 0.774 1.00 0.00 C ATOM 0 H ALA A 102 16.275 -7.358 0.391 1.00 0.00 H new ATOM 0 HA ALA A 102 15.652 -4.685 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.095 -4.377 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.477 -5.791 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.375 -6.017 0.244 1.00 0.00 H new ATOM 1416 N SER A 103 16.925 -5.413 -2.371 1.00 0.00 N ATOM 1417 CA SER A 103 17.147 -4.912 -3.723 1.00 0.00 C ATOM 1418 C SER A 103 15.936 -4.114 -4.218 1.00 0.00 C ATOM 1419 O SER A 103 16.062 -2.947 -4.594 1.00 0.00 O ATOM 1420 CB SER A 103 17.427 -6.088 -4.662 1.00 0.00 C ATOM 1421 OG SER A 103 18.402 -6.957 -4.102 1.00 0.00 O ATOM 0 H SER A 103 17.046 -6.421 -2.276 1.00 0.00 H new ATOM 0 HA SER A 103 18.007 -4.243 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.505 -6.639 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.775 -5.716 -5.625 1.00 0.00 H new ATOM 0 HG SER A 103 18.566 -7.703 -4.716 1.00 0.00 H new ATOM 1427 N GLU A 104 14.767 -4.743 -4.199 1.00 0.00 N ATOM 1428 CA GLU A 104 13.531 -4.099 -4.622 1.00 0.00 C ATOM 1429 C GLU A 104 13.079 -3.067 -3.600 1.00 0.00 C ATOM 1430 O GLU A 104 12.442 -2.075 -3.948 1.00 0.00 O ATOM 1431 CB GLU A 104 12.415 -5.130 -4.834 1.00 0.00 C ATOM 1432 CG GLU A 104 12.643 -6.065 -6.013 1.00 0.00 C ATOM 1433 CD GLU A 104 13.508 -7.267 -5.681 1.00 0.00 C ATOM 1434 OE1 GLU A 104 14.230 -7.240 -4.667 1.00 0.00 O ATOM 1435 OE2 GLU A 104 13.468 -8.251 -6.452 1.00 0.00 O ATOM 0 H GLU A 104 14.650 -5.709 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 104 13.733 -3.598 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.310 -5.726 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.472 -4.603 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.678 -6.414 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.110 -5.506 -6.824 1.00 0.00 H new ATOM 1442 N ALA A 105 13.414 -3.301 -2.337 1.00 0.00 N ATOM 1443 CA ALA A 105 13.053 -2.378 -1.266 1.00 0.00 C ATOM 1444 C ALA A 105 13.601 -0.987 -1.551 1.00 0.00 C ATOM 1445 O ALA A 105 13.000 0.021 -1.175 1.00 0.00 O ATOM 1446 CB ALA A 105 13.570 -2.887 0.074 1.00 0.00 C ATOM 0 H ALA A 105 13.935 -4.122 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 105 11.966 -2.318 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.292 -2.186 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 105 13.133 -3.863 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.656 -2.976 0.035 1.00 0.00 H new ATOM 1452 N GLY A 106 14.748 -0.948 -2.222 1.00 0.00 N ATOM 1453 CA GLY A 106 15.363 0.313 -2.593 1.00 0.00 C ATOM 1454 C GLY A 106 14.498 1.182 -3.500 1.00 0.00 C ATOM 1455 O GLY A 106 14.567 2.409 -3.420 1.00 0.00 O ATOM 0 H GLY A 106 15.266 -1.775 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.597 0.872 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.309 0.110 -3.095 1.00 0.00 H new ATOM 1459 N ASN A 107 13.679 0.568 -4.355 1.00 0.00 N ATOM 1460 CA ASN A 107 12.889 1.337 -5.322 1.00 0.00 C ATOM 1461 C ASN A 107 11.456 1.548 -4.847 1.00 0.00 C ATOM 1462 O ASN A 107 10.620 2.058 -5.598 1.00 0.00 O ATOM 1463 CB ASN A 107 12.874 0.672 -6.713 1.00 0.00 C ATOM 1464 CG ASN A 107 12.098 -0.640 -6.770 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.678 -1.721 -6.672 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.779 -0.556 -6.928 1.00 0.00 N ATOM 0 H ASN A 107 13.545 -0.442 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 107 13.377 2.308 -5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.442 1.368 -7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.902 0.487 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.215 -1.405 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.332 0.357 -7.006 1.00 0.00 H new ATOM 1473 N TYR A 108 11.167 1.167 -3.612 1.00 0.00 N ATOM 1474 CA TYR A 108 9.811 1.283 -3.091 1.00 0.00 C ATOM 1475 C TYR A 108 9.677 2.446 -2.121 1.00 0.00 C ATOM 1476 O TYR A 108 10.361 2.501 -1.100 1.00 0.00 O ATOM 1477 CB TYR A 108 9.382 -0.007 -2.405 1.00 0.00 C ATOM 1478 CG TYR A 108 9.020 -1.126 -3.355 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.127 -0.920 -4.400 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.545 -2.398 -3.184 1.00 0.00 C ATOM 1481 CE1 TYR A 108 7.768 -1.952 -5.245 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.198 -3.433 -4.029 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.309 -3.207 -5.056 1.00 0.00 C ATOM 1484 OH TYR A 108 7.946 -4.246 -5.883 1.00 0.00 O ATOM 0 H TYR A 108 11.845 0.778 -2.956 1.00 0.00 H new ATOM 0 HA TYR A 108 9.158 1.472 -3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.189 -0.345 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.524 0.203 -1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.707 0.063 -4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.237 -2.582 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.068 -1.778 -6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.622 -4.416 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 108 8.751 -4.694 -6.218 1.00 0.00 H new ATOM 1494 N ASN A 109 8.769 3.355 -2.450 1.00 0.00 N ATOM 1495 CA ASN A 109 8.473 4.516 -1.619 1.00 0.00 C ATOM 1496 C ASN A 109 7.470 4.129 -0.543 1.00 0.00 C ATOM 1497 O ASN A 109 6.952 3.013 -0.542 1.00 0.00 O ATOM 1498 CB ASN A 109 7.889 5.655 -2.472 1.00 0.00 C ATOM 1499 CG ASN A 109 8.859 6.180 -3.511 1.00 0.00 C ATOM 1500 OD1 ASN A 109 10.069 6.233 -3.290 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.334 6.559 -4.663 1.00 0.00 N ATOM 0 H ASN A 109 8.214 3.308 -3.305 1.00 0.00 H new ATOM 0 HA ASN A 109 9.399 4.859 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.988 5.300 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.589 6.474 -1.818 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.937 6.910 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.326 6.500 -4.808 1.00 0.00 H new ATOM 1508 N TYR A 110 7.212 5.037 0.381 1.00 0.00 N ATOM 1509 CA TYR A 110 6.172 4.840 1.379 1.00 0.00 C ATOM 1510 C TYR A 110 5.679 6.198 1.868 1.00 0.00 C ATOM 1511 O TYR A 110 6.408 7.185 1.776 1.00 0.00 O ATOM 1512 CB TYR A 110 6.674 3.958 2.541 1.00 0.00 C ATOM 1513 CG TYR A 110 7.722 4.573 3.448 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.475 5.670 3.062 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.945 4.041 4.708 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.414 6.220 3.901 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.885 4.588 5.555 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.616 5.680 5.145 1.00 0.00 C ATOM 1519 OH TYR A 110 10.548 6.240 5.982 1.00 0.00 O ATOM 0 H TYR A 110 7.710 5.923 0.462 1.00 0.00 H new ATOM 0 HA TYR A 110 5.334 4.310 0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.816 3.676 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.082 3.039 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.321 6.101 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.373 3.184 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.991 7.075 3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.047 4.162 6.534 1.00 0.00 H new ATOM 0 HH TYR A 110 10.094 6.663 6.741 1.00 0.00 H new ATOM 1529 N ILE A 111 4.454 6.275 2.368 1.00 0.00 N ATOM 1530 CA ILE A 111 3.920 7.557 2.784 1.00 0.00 C ATOM 1531 C ILE A 111 3.649 7.592 4.287 1.00 0.00 C ATOM 1532 O ILE A 111 2.876 6.799 4.823 1.00 0.00 O ATOM 1533 CB ILE A 111 2.662 7.937 1.968 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.541 6.909 2.140 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.033 8.060 0.495 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.295 7.234 1.341 1.00 0.00 C ATOM 0 H ILE A 111 3.825 5.482 2.493 1.00 0.00 H new ATOM 0 HA ILE A 111 4.681 8.310 2.577 1.00 0.00 H new ATOM 0 HB ILE A 111 2.292 8.892 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.909 5.928 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.279 6.842 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.148 8.328 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.792 8.833 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.425 7.108 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.457 6.464 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.098 8.201 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.543 7.272 0.280 1.00 0.00 H new ATOM 1548 N HIS A 112 4.342 8.499 4.959 1.00 0.00 N ATOM 1549 CA HIS A 112 4.222 8.681 6.401 1.00 0.00 C ATOM 1550 C HIS A 112 3.158 9.720 6.732 1.00 0.00 C ATOM 1551 O HIS A 112 3.155 10.809 6.165 1.00 0.00 O ATOM 1552 CB HIS A 112 5.561 9.143 6.988 1.00 0.00 C ATOM 1553 CG HIS A 112 6.439 8.051 7.511 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.502 7.742 8.849 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.329 7.230 6.893 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.387 6.788 9.040 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.906 6.455 7.874 1.00 0.00 N ATOM 0 H HIS A 112 5.008 9.134 4.518 1.00 0.00 H new ATOM 0 HA HIS A 112 3.935 7.723 6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.107 9.689 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.361 9.846 7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.543 7.193 5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.646 6.350 9.993 1.00 0.00 H new ATOM 0 HE2 HIS A 112 8.618 5.740 7.724 1.00 0.00 H new ATOM 1566 N ILE A 113 2.261 9.379 7.643 1.00 0.00 N ATOM 1567 CA ILE A 113 1.287 10.336 8.153 1.00 0.00 C ATOM 1568 C ILE A 113 1.977 11.322 9.093 1.00 0.00 C ATOM 1569 O ILE A 113 2.545 10.866 10.111 1.00 0.00 O ATOM 1570 CB ILE A 113 0.142 9.623 8.909 1.00 0.00 C ATOM 1571 CG1 ILE A 113 -0.793 8.929 7.924 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.641 10.599 9.783 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -1.512 9.894 7.015 1.00 0.00 C ATOM 1574 OXT ILE A 113 1.957 12.536 8.813 1.00 0.00 O ATOM 0 H ILE A 113 2.186 8.445 8.046 1.00 0.00 H new ATOM 0 HA ILE A 113 0.859 10.868 7.303 1.00 0.00 H new ATOM 0 HB ILE A 113 0.590 8.874 9.562 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.219 8.228 7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.527 8.345 8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.438 10.065 10.300 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.029 11.049 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.074 11.380 9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.162 9.340 6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.112 10.580 7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.783 10.461 6.436 1.00 0.00 H new TER 1586 ILE A 113