USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 890 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 CYS SG : rot 160:sc= -0.0201 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-3.6!) USER MOD Set 2.1: A 13 TYR OH : rot -119:sc= 0.0406 USER MOD Set 2.2: A 43 ASN : amide:sc= -2.35! C(o=-2.3!,f=-2.5!) USER MOD Set 3.1: A 18 THR OG1 : rot -73:sc= 0.586 USER MOD Set 3.2: A 19 ASN :FLIP amide:sc= -1.62! C(o=-2.5!,f=-1!) USER MOD Set 4.1: A 16 LYS NZ :NH3+ 171:sc= 0.877 (180deg=0.883) USER MOD Set 4.2: A 40 TYR OH : rot 180:sc= -0.408 USER MOD Set 5.1: A 1 GLY N :NH3+ -117:sc= 0.0704 (180deg=0) USER MOD Set 5.2: A 3 SER OG : rot 36:sc= 0.14 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0582 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 144:sc= -1.96 (180deg=-4.51!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.156 F(o=-0.77,f=-0.16) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 33 ASN : amide:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1.1) USER MOD Single : A 46 SER OG : rot -16:sc= 0.0397 USER MOD Single : A 48 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.75) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.938 (180deg=-1.86!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc=-0.00103 X(o=-0.001,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -6.04! C(o=-7.3!,f=-6!) USER MOD Single : A 71 THR OG1 : rot -49:sc= -0.504 USER MOD Single : A 73 THR OG1 : rot -53:sc= 0.473 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= -0.054 (180deg=-0.454) USER MOD Single : A 93 GLN : amide:sc= -0.0912 K(o=-0.091,f=-0.92) USER MOD Single : A 94 HIS : no HD1:sc= -0.751 K(o=-0.75,f=-1.5) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc= -0.029 F(o=-2.8!,f=-0.029) USER MOD Single : A 103 THR OG1 : rot 44:sc= 1.37 USER MOD Single : A 104 GLN : amide:sc= -0.681 K(o=-0.68,f=-1.9) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.237 K(o=-0.24,f=-4.7!) USER MOD Single : A 114 ASN : amide:sc=-0.00919 X(o=-0.0092,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.908 16.524 1.014 1.00 0.00 N ATOM 2 CA GLY A 1 -9.116 16.776 1.778 1.00 0.00 C ATOM 3 C GLY A 1 -9.545 15.575 2.598 1.00 0.00 C ATOM 4 O GLY A 1 -9.092 14.456 2.356 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.153 17.162 1.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.610 15.537 1.151 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.094 16.692 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.952 17.625 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.921 17.054 1.098 1.00 0.00 H new ATOM 8 N SER A 2 -10.420 15.807 3.571 1.00 0.00 N ATOM 9 CA SER A 2 -10.906 14.736 4.433 1.00 0.00 C ATOM 10 C SER A 2 -9.802 13.722 4.715 1.00 0.00 C ATOM 11 O SER A 2 -10.030 12.513 4.682 1.00 0.00 O ATOM 12 CB SER A 2 -12.104 14.036 3.787 1.00 0.00 C ATOM 13 OG SER A 2 -11.764 13.515 2.514 1.00 0.00 O ATOM 0 H SER A 2 -10.807 16.727 3.782 1.00 0.00 H new ATOM 0 HA SER A 2 -11.219 15.179 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.450 13.229 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.930 14.740 3.687 1.00 0.00 H new ATOM 0 HG SER A 2 -12.545 13.071 2.123 1.00 0.00 H new ATOM 19 N SER A 3 -8.603 14.224 4.993 1.00 0.00 N ATOM 20 CA SER A 3 -7.460 13.364 5.277 1.00 0.00 C ATOM 21 C SER A 3 -7.349 13.085 6.773 1.00 0.00 C ATOM 22 O SER A 3 -7.741 13.907 7.600 1.00 0.00 O ATOM 23 CB SER A 3 -6.170 14.010 4.770 1.00 0.00 C ATOM 24 OG SER A 3 -6.112 13.990 3.354 1.00 0.00 O ATOM 0 H SER A 3 -8.398 15.223 5.028 1.00 0.00 H new ATOM 0 HA SER A 3 -7.611 12.417 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.111 15.039 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.309 13.481 5.180 1.00 0.00 H new ATOM 0 HG SER A 3 -7.010 14.128 2.988 1.00 0.00 H new ATOM 30 N GLY A 4 -6.812 11.917 7.112 1.00 0.00 N ATOM 31 CA GLY A 4 -6.658 11.549 8.508 1.00 0.00 C ATOM 32 C GLY A 4 -5.207 11.357 8.900 1.00 0.00 C ATOM 33 O GLY A 4 -4.407 10.848 8.116 1.00 0.00 O ATOM 0 H GLY A 4 -6.481 11.219 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.101 12.322 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.208 10.628 8.701 1.00 0.00 H new ATOM 37 N SER A 5 -4.865 11.766 10.118 1.00 0.00 N ATOM 38 CA SER A 5 -3.499 11.641 10.612 1.00 0.00 C ATOM 39 C SER A 5 -3.288 10.292 11.292 1.00 0.00 C ATOM 40 O SER A 5 -2.458 9.490 10.863 1.00 0.00 O ATOM 41 CB SER A 5 -3.182 12.773 11.590 1.00 0.00 C ATOM 42 OG SER A 5 -3.255 14.036 10.950 1.00 0.00 O ATOM 0 H SER A 5 -5.516 12.187 10.781 1.00 0.00 H new ATOM 0 HA SER A 5 -2.823 11.708 9.759 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.883 12.744 12.424 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.185 12.630 12.006 1.00 0.00 H new ATOM 0 HG SER A 5 -3.050 14.743 11.597 1.00 0.00 H new ATOM 48 N SER A 6 -4.046 10.048 12.357 1.00 0.00 N ATOM 49 CA SER A 6 -3.941 8.799 13.101 1.00 0.00 C ATOM 50 C SER A 6 -4.199 7.601 12.191 1.00 0.00 C ATOM 51 O SER A 6 -5.092 7.631 11.345 1.00 0.00 O ATOM 52 CB SER A 6 -4.932 8.790 14.267 1.00 0.00 C ATOM 53 OG SER A 6 -6.269 8.824 13.800 1.00 0.00 O ATOM 0 H SER A 6 -4.740 10.700 12.724 1.00 0.00 H new ATOM 0 HA SER A 6 -2.927 8.724 13.494 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.778 7.897 14.873 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.747 9.649 14.912 1.00 0.00 H new ATOM 0 HG SER A 6 -6.883 8.816 14.564 1.00 0.00 H new ATOM 59 N GLY A 7 -3.408 6.548 12.371 1.00 0.00 N ATOM 60 CA GLY A 7 -3.565 5.355 11.560 1.00 0.00 C ATOM 61 C GLY A 7 -3.126 4.098 12.285 1.00 0.00 C ATOM 62 O GLY A 7 -2.123 4.105 12.998 1.00 0.00 O ATOM 0 H GLY A 7 -2.661 6.500 13.064 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.610 5.255 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.985 5.464 10.644 1.00 0.00 H new ATOM 66 N GLU A 8 -3.878 3.018 12.103 1.00 0.00 N ATOM 67 CA GLU A 8 -3.561 1.749 12.748 1.00 0.00 C ATOM 68 C GLU A 8 -2.701 0.876 11.839 1.00 0.00 C ATOM 69 O GLU A 8 -3.149 0.434 10.781 1.00 0.00 O ATOM 70 CB GLU A 8 -4.846 1.006 13.121 1.00 0.00 C ATOM 71 CG GLU A 8 -5.501 1.524 14.391 1.00 0.00 C ATOM 72 CD GLU A 8 -6.754 0.752 14.757 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.503 0.365 13.836 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.985 0.535 15.965 1.00 0.00 O ATOM 0 H GLU A 8 -4.711 2.996 11.515 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.997 1.963 13.656 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.555 1.087 12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.621 -0.053 13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.788 1.464 15.214 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.752 2.577 14.263 1.00 0.00 H new ATOM 81 N ASN A 9 -1.464 0.633 12.259 1.00 0.00 N ATOM 82 CA ASN A 9 -0.541 -0.186 11.482 1.00 0.00 C ATOM 83 C ASN A 9 -1.126 -1.571 11.225 1.00 0.00 C ATOM 84 O ASN A 9 -2.137 -1.950 11.818 1.00 0.00 O ATOM 85 CB ASN A 9 0.798 -0.314 12.212 1.00 0.00 C ATOM 86 CG ASN A 9 1.300 1.018 12.736 1.00 0.00 C ATOM 87 OD1 ASN A 9 1.723 1.881 11.966 1.00 0.00 O ATOM 88 ND2 ASN A 9 1.256 1.191 14.052 1.00 0.00 N ATOM 0 H ASN A 9 -1.078 0.991 13.132 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.379 0.305 10.522 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.691 -1.011 13.043 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.539 -0.738 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.581 2.067 14.462 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.897 0.448 14.652 1.00 0.00 H new ATOM 95 N VAL A 10 -0.484 -2.324 10.337 1.00 0.00 N ATOM 96 CA VAL A 10 -0.939 -3.668 10.003 1.00 0.00 C ATOM 97 C VAL A 10 0.237 -4.628 9.863 1.00 0.00 C ATOM 98 O VAL A 10 1.137 -4.410 9.051 1.00 0.00 O ATOM 99 CB VAL A 10 -1.752 -3.675 8.694 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.251 -5.078 8.383 1.00 0.00 C ATOM 101 CG2 VAL A 10 -2.912 -2.695 8.783 1.00 0.00 C ATOM 0 H VAL A 10 0.353 -2.026 9.836 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.578 -3.999 10.822 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.100 -3.358 7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.823 -5.063 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.400 -5.751 8.274 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.888 -5.426 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.476 -2.713 7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.566 -2.979 9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.527 -1.690 8.955 1.00 0.00 H new ATOM 111 N TYR A 11 0.223 -5.691 10.659 1.00 0.00 N ATOM 112 CA TYR A 11 1.290 -6.685 10.626 1.00 0.00 C ATOM 113 C TYR A 11 0.742 -8.081 10.903 1.00 0.00 C ATOM 114 O TYR A 11 -0.354 -8.236 11.440 1.00 0.00 O ATOM 115 CB TYR A 11 2.371 -6.337 11.649 1.00 0.00 C ATOM 116 CG TYR A 11 1.844 -5.603 12.861 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.678 -6.015 13.495 1.00 0.00 C ATOM 118 CD2 TYR A 11 2.511 -4.496 13.373 1.00 0.00 C ATOM 119 CE1 TYR A 11 0.192 -5.348 14.602 1.00 0.00 C ATOM 120 CE2 TYR A 11 2.033 -3.823 14.481 1.00 0.00 C ATOM 121 CZ TYR A 11 0.873 -4.252 15.092 1.00 0.00 C ATOM 122 OH TYR A 11 0.393 -3.584 16.194 1.00 0.00 O ATOM 0 H TYR A 11 -0.515 -5.887 11.335 1.00 0.00 H new ATOM 0 HA TYR A 11 1.728 -6.678 9.628 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.860 -7.255 11.975 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.132 -5.724 11.166 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.142 -6.872 13.115 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.419 -4.156 12.896 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.716 -5.682 15.082 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.565 -2.966 14.867 1.00 0.00 H new ATOM 0 HH TYR A 11 0.990 -2.838 16.410 1.00 0.00 H new ATOM 132 N GLY A 12 1.515 -9.098 10.532 1.00 0.00 N ATOM 133 CA GLY A 12 1.093 -10.469 10.748 1.00 0.00 C ATOM 134 C GLY A 12 2.039 -11.473 10.121 1.00 0.00 C ATOM 135 O GLY A 12 2.930 -11.103 9.356 1.00 0.00 O ATOM 0 H GLY A 12 2.426 -8.996 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.023 -10.660 11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.094 -10.608 10.334 1.00 0.00 H new ATOM 139 N TYR A 13 1.848 -12.747 10.446 1.00 0.00 N ATOM 140 CA TYR A 13 2.694 -13.807 9.912 1.00 0.00 C ATOM 141 C TYR A 13 2.142 -14.332 8.590 1.00 0.00 C ATOM 142 O TYR A 13 1.144 -15.054 8.563 1.00 0.00 O ATOM 143 CB TYR A 13 2.810 -14.952 10.920 1.00 0.00 C ATOM 144 CG TYR A 13 3.961 -14.794 11.887 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.314 -13.543 12.379 1.00 0.00 C ATOM 146 CD2 TYR A 13 4.698 -15.895 12.307 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.366 -13.394 13.261 1.00 0.00 C ATOM 148 CE2 TYR A 13 5.750 -15.755 13.191 1.00 0.00 C ATOM 149 CZ TYR A 13 6.081 -14.502 13.665 1.00 0.00 C ATOM 150 OH TYR A 13 7.129 -14.359 14.544 1.00 0.00 O ATOM 0 H TYR A 13 1.115 -13.070 11.077 1.00 0.00 H new ATOM 0 HA TYR A 13 3.684 -13.389 9.730 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.880 -15.024 11.484 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.928 -15.891 10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.756 -12.673 12.066 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.444 -16.877 11.936 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.628 -12.414 13.633 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.310 -16.621 13.510 1.00 0.00 H new ATOM 0 HH TYR A 13 7.956 -14.669 14.120 1.00 0.00 H new ATOM 160 N LEU A 14 2.798 -13.965 7.495 1.00 0.00 N ATOM 161 CA LEU A 14 2.375 -14.399 6.168 1.00 0.00 C ATOM 162 C LEU A 14 3.428 -15.296 5.526 1.00 0.00 C ATOM 163 O LEU A 14 4.598 -15.266 5.907 1.00 0.00 O ATOM 164 CB LEU A 14 2.108 -13.186 5.275 1.00 0.00 C ATOM 165 CG LEU A 14 0.930 -12.299 5.681 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.031 -10.938 5.011 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.389 -12.971 5.331 1.00 0.00 C ATOM 0 H LEU A 14 3.625 -13.368 7.500 1.00 0.00 H new ATOM 0 HA LEU A 14 1.455 -14.973 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.008 -12.572 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.937 -13.539 4.258 1.00 0.00 H new ATOM 0 HG LEU A 14 0.965 -12.153 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.184 -10.321 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.959 -10.452 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.022 -11.064 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.216 -12.326 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.433 -13.148 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.464 -13.922 5.859 1.00 0.00 H new ATOM 179 N MET A 15 3.005 -16.091 4.549 1.00 0.00 N ATOM 180 CA MET A 15 3.914 -16.993 3.852 1.00 0.00 C ATOM 181 C MET A 15 4.454 -16.346 2.580 1.00 0.00 C ATOM 182 O MET A 15 3.726 -15.660 1.863 1.00 0.00 O ATOM 183 CB MET A 15 3.202 -18.303 3.508 1.00 0.00 C ATOM 184 CG MET A 15 2.901 -19.168 4.721 1.00 0.00 C ATOM 185 SD MET A 15 4.332 -20.120 5.266 1.00 0.00 S ATOM 186 CE MET A 15 4.122 -21.623 4.315 1.00 0.00 C ATOM 0 H MET A 15 2.039 -16.129 4.222 1.00 0.00 H new ATOM 0 HA MET A 15 4.753 -17.206 4.515 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.268 -18.075 2.994 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.819 -18.870 2.812 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.558 -18.534 5.539 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.085 -19.850 4.483 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.099 -22.003 4.015 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.613 -22.370 4.923 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.527 -21.411 3.427 1.00 0.00 H new ATOM 196 N LYS A 16 5.735 -16.568 2.307 1.00 0.00 N ATOM 197 CA LYS A 16 6.374 -16.008 1.122 1.00 0.00 C ATOM 198 C LYS A 16 7.038 -17.103 0.293 1.00 0.00 C ATOM 199 O LYS A 16 7.377 -18.167 0.810 1.00 0.00 O ATOM 200 CB LYS A 16 7.412 -14.958 1.525 1.00 0.00 C ATOM 201 CG LYS A 16 7.624 -13.880 0.477 1.00 0.00 C ATOM 202 CD LYS A 16 8.729 -12.918 0.883 1.00 0.00 C ATOM 203 CE LYS A 16 8.909 -11.811 -0.145 1.00 0.00 C ATOM 204 NZ LYS A 16 10.293 -11.263 -0.132 1.00 0.00 N ATOM 0 H LYS A 16 6.352 -17.133 2.891 1.00 0.00 H new ATOM 0 HA LYS A 16 5.603 -15.534 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.099 -14.489 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.362 -15.455 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.876 -14.343 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.696 -13.328 0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.494 -12.480 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.665 -13.465 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.680 -12.197 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.199 -11.009 0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.421 -10.623 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.450 -10.738 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.976 -12.044 -0.197 1.00 0.00 H new ATOM 218 N TYR A 17 7.222 -16.833 -0.995 1.00 0.00 N ATOM 219 CA TYR A 17 7.845 -17.796 -1.896 1.00 0.00 C ATOM 220 C TYR A 17 9.342 -17.532 -2.024 1.00 0.00 C ATOM 221 O TYR A 17 9.770 -16.668 -2.789 1.00 0.00 O ATOM 222 CB TYR A 17 7.185 -17.737 -3.274 1.00 0.00 C ATOM 223 CG TYR A 17 7.229 -19.049 -4.023 1.00 0.00 C ATOM 224 CD1 TYR A 17 8.312 -19.376 -4.830 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.187 -19.963 -3.923 1.00 0.00 C ATOM 226 CE1 TYR A 17 8.355 -20.574 -5.517 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.223 -21.164 -4.605 1.00 0.00 C ATOM 228 CZ TYR A 17 7.309 -21.465 -5.401 1.00 0.00 C ATOM 229 OH TYR A 17 7.349 -22.660 -6.082 1.00 0.00 O ATOM 0 H TYR A 17 6.949 -15.956 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 17 7.705 -18.792 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.146 -17.430 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.679 -16.970 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.134 -18.682 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.335 -19.731 -3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.203 -20.811 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.405 -21.864 -4.515 1.00 0.00 H new ATOM 0 HH TYR A 17 6.536 -23.173 -5.891 1.00 0.00 H new ATOM 239 N THR A 18 10.136 -18.285 -1.268 1.00 0.00 N ATOM 240 CA THR A 18 11.585 -18.134 -1.296 1.00 0.00 C ATOM 241 C THR A 18 12.187 -18.822 -2.515 1.00 0.00 C ATOM 242 O THR A 18 13.090 -18.289 -3.158 1.00 0.00 O ATOM 243 CB THR A 18 12.234 -18.711 -0.023 1.00 0.00 C ATOM 244 OG1 THR A 18 13.657 -18.571 -0.092 1.00 0.00 O ATOM 245 CG2 THR A 18 11.871 -20.178 0.152 1.00 0.00 C ATOM 0 H THR A 18 9.799 -19.005 -0.629 1.00 0.00 H new ATOM 0 HA THR A 18 11.790 -17.065 -1.348 1.00 0.00 H new ATOM 0 HB THR A 18 11.856 -18.155 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.018 -19.216 -0.736 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.340 -20.564 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.789 -20.278 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.223 -20.745 -0.709 1.00 0.00 H new ATOM 253 N ASN A 19 11.679 -20.010 -2.829 1.00 0.00 N ATOM 254 CA ASN A 19 12.167 -20.771 -3.974 1.00 0.00 C ATOM 255 C ASN A 19 11.140 -21.809 -4.415 1.00 0.00 C ATOM 256 O ASN A 19 10.050 -21.900 -3.848 1.00 0.00 O ATOM 257 CB ASN A 19 13.489 -21.461 -3.628 1.00 0.00 C ATOM 258 CG ASN A 19 14.623 -20.472 -3.433 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.926 -20.160 -2.178 1.00 0.00 O flip ATOM 260 ND2 ASN A 19 15.219 -19.996 -4.399 1.00 0.00 N flip ATOM 0 H ASN A 19 10.931 -20.466 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 19 12.331 -20.076 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.362 -22.048 -2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.751 -22.158 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.952 -20.265 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.980 -19.333 -4.252 1.00 0.00 H new ATOM 267 N LEU A 20 11.494 -22.590 -5.429 1.00 0.00 N ATOM 268 CA LEU A 20 10.604 -23.623 -5.947 1.00 0.00 C ATOM 269 C LEU A 20 10.560 -24.825 -5.009 1.00 0.00 C ATOM 270 O LEU A 20 9.492 -25.228 -4.548 1.00 0.00 O ATOM 271 CB LEU A 20 11.057 -24.065 -7.339 1.00 0.00 C ATOM 272 CG LEU A 20 10.763 -23.091 -8.481 1.00 0.00 C ATOM 273 CD1 LEU A 20 11.927 -22.132 -8.679 1.00 0.00 C ATOM 274 CD2 LEU A 20 10.471 -23.850 -9.767 1.00 0.00 C ATOM 0 H LEU A 20 12.392 -22.528 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 20 9.601 -23.201 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.132 -24.245 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.580 -25.018 -7.569 1.00 0.00 H new ATOM 0 HG LEU A 20 9.880 -22.508 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.699 -21.447 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.090 -21.564 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.827 -22.697 -8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.264 -23.141 -10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.335 -24.458 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.605 -24.495 -9.620 1.00 0.00 H new ATOM 286 N VAL A 21 11.729 -25.393 -4.728 1.00 0.00 N ATOM 287 CA VAL A 21 11.826 -26.546 -3.842 1.00 0.00 C ATOM 288 C VAL A 21 11.225 -26.241 -2.475 1.00 0.00 C ATOM 289 O VAL A 21 10.356 -26.967 -1.989 1.00 0.00 O ATOM 290 CB VAL A 21 13.288 -26.993 -3.660 1.00 0.00 C ATOM 291 CG1 VAL A 21 14.156 -25.820 -3.229 1.00 0.00 C ATOM 292 CG2 VAL A 21 13.376 -28.129 -2.652 1.00 0.00 C ATOM 0 H VAL A 21 12.622 -25.073 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 21 11.263 -27.353 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 21 13.660 -27.357 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.186 -26.155 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.117 -25.040 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.788 -25.423 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.416 -28.432 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.986 -27.794 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.788 -28.976 -3.006 1.00 0.00 H new ATOM 302 N THR A 22 11.692 -25.161 -1.857 1.00 0.00 N ATOM 303 CA THR A 22 11.201 -24.759 -0.545 1.00 0.00 C ATOM 304 C THR A 22 9.694 -24.533 -0.566 1.00 0.00 C ATOM 305 O THR A 22 8.977 -24.973 0.331 1.00 0.00 O ATOM 306 CB THR A 22 11.895 -23.473 -0.055 1.00 0.00 C ATOM 307 OG1 THR A 22 13.276 -23.487 -0.433 1.00 0.00 O ATOM 308 CG2 THR A 22 11.778 -23.336 1.455 1.00 0.00 C ATOM 0 H THR A 22 12.410 -24.549 -2.244 1.00 0.00 H new ATOM 0 HA THR A 22 11.433 -25.573 0.142 1.00 0.00 H new ATOM 0 HB THR A 22 11.400 -22.620 -0.520 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.709 -22.666 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.275 -22.421 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.726 -23.295 1.736 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.249 -24.193 1.936 1.00 0.00 H new ATOM 316 N GLY A 23 9.218 -23.843 -1.599 1.00 0.00 N ATOM 317 CA GLY A 23 7.798 -23.572 -1.719 1.00 0.00 C ATOM 318 C GLY A 23 7.387 -22.305 -0.995 1.00 0.00 C ATOM 319 O GLY A 23 7.663 -21.199 -1.460 1.00 0.00 O ATOM 0 H GLY A 23 9.791 -23.467 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.535 -23.486 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.235 -24.415 -1.318 1.00 0.00 H new ATOM 323 N TRP A 24 6.724 -22.465 0.145 1.00 0.00 N ATOM 324 CA TRP A 24 6.273 -21.324 0.933 1.00 0.00 C ATOM 325 C TRP A 24 6.899 -21.341 2.323 1.00 0.00 C ATOM 326 O TRP A 24 7.077 -22.403 2.920 1.00 0.00 O ATOM 327 CB TRP A 24 4.747 -21.328 1.047 1.00 0.00 C ATOM 328 CG TRP A 24 4.052 -21.278 -0.280 1.00 0.00 C ATOM 329 CD1 TRP A 24 3.891 -22.309 -1.160 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.427 -20.137 -0.877 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.203 -21.878 -2.269 1.00 0.00 N ATOM 332 CE2 TRP A 24 2.906 -20.549 -2.119 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.255 -18.807 -0.483 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.227 -19.679 -2.967 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.581 -17.944 -1.326 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.073 -18.383 -2.556 1.00 0.00 C ATOM 0 H TRP A 24 6.487 -23.373 0.544 1.00 0.00 H new ATOM 0 HA TRP A 24 6.590 -20.414 0.423 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.432 -22.225 1.580 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.432 -20.474 1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.251 -23.316 -1.007 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.954 -22.454 -3.073 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.642 -18.460 0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.836 -20.015 -3.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.443 -16.914 -1.032 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.550 -17.685 -3.192 1.00 0.00 H new ATOM 347 N GLN A 25 7.230 -20.159 2.833 1.00 0.00 N ATOM 348 CA GLN A 25 7.837 -20.040 4.154 1.00 0.00 C ATOM 349 C GLN A 25 7.165 -18.937 4.964 1.00 0.00 C ATOM 350 O GLN A 25 6.924 -17.841 4.459 1.00 0.00 O ATOM 351 CB GLN A 25 9.334 -19.756 4.026 1.00 0.00 C ATOM 352 CG GLN A 25 10.149 -20.964 3.593 1.00 0.00 C ATOM 353 CD GLN A 25 11.591 -20.892 4.055 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.367 -20.008 3.438 1.00 0.00 O flip ATOM 355 NE2 GLN A 25 12.004 -21.623 4.955 1.00 0.00 N flip ATOM 0 H GLN A 25 7.088 -19.271 2.352 1.00 0.00 H new ATOM 0 HA GLN A 25 7.697 -20.986 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.482 -18.951 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.711 -19.399 4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.689 -21.869 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.123 -21.044 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.373 -22.288 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.977 -21.564 5.254 1.00 0.00 H new ATOM 364 N TYR A 26 6.864 -19.235 6.223 1.00 0.00 N ATOM 365 CA TYR A 26 6.217 -18.269 7.103 1.00 0.00 C ATOM 366 C TYR A 26 7.189 -17.164 7.508 1.00 0.00 C ATOM 367 O TYR A 26 8.358 -17.424 7.794 1.00 0.00 O ATOM 368 CB TYR A 26 5.674 -18.968 8.351 1.00 0.00 C ATOM 369 CG TYR A 26 4.256 -19.468 8.196 1.00 0.00 C ATOM 370 CD1 TYR A 26 3.209 -18.586 7.959 1.00 0.00 C ATOM 371 CD2 TYR A 26 3.963 -20.824 8.284 1.00 0.00 C ATOM 372 CE1 TYR A 26 1.912 -19.039 7.817 1.00 0.00 C ATOM 373 CE2 TYR A 26 2.669 -21.286 8.142 1.00 0.00 C ATOM 374 CZ TYR A 26 1.647 -20.389 7.910 1.00 0.00 C ATOM 375 OH TYR A 26 0.356 -20.845 7.768 1.00 0.00 O ATOM 0 H TYR A 26 7.058 -20.138 6.657 1.00 0.00 H new ATOM 0 HA TYR A 26 5.388 -17.817 6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.322 -19.809 8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.717 -18.276 9.192 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.413 -17.528 7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.761 -21.529 8.467 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.110 -18.340 7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.459 -22.343 8.212 1.00 0.00 H new ATOM 0 HH TYR A 26 0.342 -21.821 7.860 1.00 0.00 H new ATOM 385 N ARG A 27 6.695 -15.930 7.530 1.00 0.00 N ATOM 386 CA ARG A 27 7.518 -14.785 7.899 1.00 0.00 C ATOM 387 C ARG A 27 6.665 -13.674 8.504 1.00 0.00 C ATOM 388 O ARG A 27 5.436 -13.724 8.453 1.00 0.00 O ATOM 389 CB ARG A 27 8.271 -14.256 6.676 1.00 0.00 C ATOM 390 CG ARG A 27 9.461 -15.112 6.275 1.00 0.00 C ATOM 391 CD ARG A 27 10.495 -14.305 5.507 1.00 0.00 C ATOM 392 NE ARG A 27 11.371 -15.156 4.707 1.00 0.00 N ATOM 393 CZ ARG A 27 12.264 -15.989 5.230 1.00 0.00 C ATOM 394 NH1 ARG A 27 12.397 -16.082 6.546 1.00 0.00 N ATOM 395 NH2 ARG A 27 13.025 -16.732 4.437 1.00 0.00 N ATOM 0 H ARG A 27 5.729 -15.698 7.297 1.00 0.00 H new ATOM 0 HA ARG A 27 8.239 -15.114 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.581 -14.192 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.616 -13.243 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.920 -15.539 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.120 -15.946 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.988 -13.593 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.095 -13.725 6.208 1.00 0.00 H new ATOM 0 HE ARG A 27 11.293 -15.108 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.813 -15.513 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.083 -16.722 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.925 -16.664 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.710 -17.371 4.840 1.00 0.00 H new ATOM 409 N PHE A 28 7.325 -12.673 9.077 1.00 0.00 N ATOM 410 CA PHE A 28 6.627 -11.551 9.693 1.00 0.00 C ATOM 411 C PHE A 28 6.620 -10.339 8.766 1.00 0.00 C ATOM 412 O PHE A 28 7.669 -9.890 8.305 1.00 0.00 O ATOM 413 CB PHE A 28 7.284 -11.184 11.025 1.00 0.00 C ATOM 414 CG PHE A 28 6.658 -9.995 11.695 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.301 -9.975 11.974 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.426 -8.896 12.047 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.722 -8.881 12.590 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.853 -7.800 12.664 1.00 0.00 C ATOM 419 CZ PHE A 28 5.499 -7.793 12.936 1.00 0.00 C ATOM 0 H PHE A 28 8.342 -12.616 9.128 1.00 0.00 H new ATOM 0 HA PHE A 28 5.596 -11.853 9.875 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.228 -12.041 11.697 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.341 -10.980 10.855 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.689 -10.824 11.707 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.485 -8.896 11.836 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.663 -8.877 12.800 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.463 -6.950 12.933 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.049 -6.938 13.418 1.00 0.00 H new ATOM 429 N PHE A 29 5.429 -9.815 8.497 1.00 0.00 N ATOM 430 CA PHE A 29 5.283 -8.656 7.623 1.00 0.00 C ATOM 431 C PHE A 29 4.774 -7.448 8.403 1.00 0.00 C ATOM 432 O PHE A 29 3.921 -7.576 9.282 1.00 0.00 O ATOM 433 CB PHE A 29 4.327 -8.975 6.473 1.00 0.00 C ATOM 434 CG PHE A 29 4.910 -9.907 5.449 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.114 -11.245 5.747 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.253 -9.446 4.188 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.651 -12.104 4.807 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.790 -10.300 3.244 1.00 0.00 C ATOM 439 CZ PHE A 29 5.989 -11.631 3.554 1.00 0.00 C ATOM 0 H PHE A 29 4.551 -10.174 8.871 1.00 0.00 H new ATOM 0 HA PHE A 29 6.264 -8.415 7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.418 -9.418 6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.038 -8.045 5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.850 -11.621 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.099 -8.406 3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.806 -13.144 5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.054 -9.927 2.265 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.408 -12.301 2.818 1.00 0.00 H new ATOM 449 N VAL A 30 5.303 -6.273 8.076 1.00 0.00 N ATOM 450 CA VAL A 30 4.903 -5.041 8.744 1.00 0.00 C ATOM 451 C VAL A 30 4.630 -3.932 7.735 1.00 0.00 C ATOM 452 O VAL A 30 5.511 -3.549 6.963 1.00 0.00 O ATOM 453 CB VAL A 30 5.980 -4.565 9.736 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.534 -3.291 10.439 1.00 0.00 C ATOM 455 CG2 VAL A 30 6.296 -5.658 10.745 1.00 0.00 C ATOM 0 H VAL A 30 6.010 -6.149 7.352 1.00 0.00 H new ATOM 0 HA VAL A 30 3.987 -5.262 9.293 1.00 0.00 H new ATOM 0 HB VAL A 30 6.890 -4.344 9.178 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.308 -2.970 11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.364 -2.508 9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.610 -3.481 10.985 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.059 -5.304 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.393 -5.914 11.299 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.663 -6.541 10.222 1.00 0.00 H new ATOM 465 N LEU A 31 3.405 -3.418 7.745 1.00 0.00 N ATOM 466 CA LEU A 31 3.016 -2.350 6.830 1.00 0.00 C ATOM 467 C LEU A 31 3.220 -0.982 7.472 1.00 0.00 C ATOM 468 O LEU A 31 2.952 -0.795 8.657 1.00 0.00 O ATOM 469 CB LEU A 31 1.554 -2.517 6.413 1.00 0.00 C ATOM 470 CG LEU A 31 0.931 -1.339 5.663 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.151 -1.484 4.165 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.554 -1.232 5.977 1.00 0.00 C ATOM 0 H LEU A 31 2.664 -3.723 8.376 1.00 0.00 H new ATOM 0 HA LEU A 31 3.650 -2.414 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.475 -3.404 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.961 -2.706 7.308 1.00 0.00 H new ATOM 0 HG LEU A 31 1.419 -0.423 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.701 -0.637 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.220 -1.511 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.690 -2.408 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.981 -0.388 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.057 -2.150 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.689 -1.081 7.048 1.00 0.00 H new ATOM 484 N ASN A 32 3.696 -0.027 6.678 1.00 0.00 N ATOM 485 CA ASN A 32 3.935 1.326 7.168 1.00 0.00 C ATOM 486 C ASN A 32 2.919 2.303 6.585 1.00 0.00 C ATOM 487 O ASN A 32 2.869 2.513 5.374 1.00 0.00 O ATOM 488 CB ASN A 32 5.354 1.776 6.814 1.00 0.00 C ATOM 489 CG ASN A 32 6.379 1.305 7.828 1.00 0.00 C ATOM 490 OD1 ASN A 32 6.172 0.308 8.520 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.493 2.023 7.919 1.00 0.00 N ATOM 0 H ASN A 32 3.924 -0.165 5.693 1.00 0.00 H new ATOM 0 HA ASN A 32 3.824 1.318 8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.619 1.393 5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.382 2.864 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.220 1.755 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.622 2.842 7.325 1.00 0.00 H new ATOM 498 N ASN A 33 2.111 2.898 7.456 1.00 0.00 N ATOM 499 CA ASN A 33 1.096 3.854 7.027 1.00 0.00 C ATOM 500 C ASN A 33 1.662 5.270 6.994 1.00 0.00 C ATOM 501 O ASN A 33 1.337 6.058 6.106 1.00 0.00 O ATOM 502 CB ASN A 33 -0.114 3.798 7.962 1.00 0.00 C ATOM 503 CG ASN A 33 -1.254 4.678 7.486 1.00 0.00 C ATOM 504 OD1 ASN A 33 -2.092 4.252 6.691 1.00 0.00 O ATOM 505 ND2 ASN A 33 -1.289 5.914 7.971 1.00 0.00 N ATOM 0 H ASN A 33 2.139 2.735 8.463 1.00 0.00 H new ATOM 0 HA ASN A 33 0.781 3.584 6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.462 2.768 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.188 4.109 8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.032 6.553 7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.573 6.224 8.628 1.00 0.00 H new ATOM 512 N GLU A 34 2.510 5.586 7.968 1.00 0.00 N ATOM 513 CA GLU A 34 3.121 6.907 8.049 1.00 0.00 C ATOM 514 C GLU A 34 4.013 7.170 6.839 1.00 0.00 C ATOM 515 O GLU A 34 4.052 8.282 6.313 1.00 0.00 O ATOM 516 CB GLU A 34 3.938 7.038 9.337 1.00 0.00 C ATOM 517 CG GLU A 34 4.967 5.935 9.519 1.00 0.00 C ATOM 518 CD GLU A 34 5.998 6.268 10.580 1.00 0.00 C ATOM 519 OE1 GLU A 34 6.701 7.288 10.422 1.00 0.00 O ATOM 520 OE2 GLU A 34 6.101 5.511 11.567 1.00 0.00 O ATOM 0 H GLU A 34 2.789 4.946 8.711 1.00 0.00 H new ATOM 0 HA GLU A 34 2.322 7.648 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.447 8.002 9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.259 7.035 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.458 5.010 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.473 5.755 8.570 1.00 0.00 H new ATOM 527 N ALA A 35 4.730 6.138 6.405 1.00 0.00 N ATOM 528 CA ALA A 35 5.621 6.256 5.257 1.00 0.00 C ATOM 529 C ALA A 35 4.965 5.705 3.995 1.00 0.00 C ATOM 530 O ALA A 35 4.934 6.369 2.960 1.00 0.00 O ATOM 531 CB ALA A 35 6.932 5.536 5.531 1.00 0.00 C ATOM 0 H ALA A 35 4.711 5.211 6.831 1.00 0.00 H new ATOM 0 HA ALA A 35 5.828 7.314 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.588 5.632 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.415 5.978 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.735 4.481 5.721 1.00 0.00 H new ATOM 537 N GLY A 36 4.444 4.486 4.088 1.00 0.00 N ATOM 538 CA GLY A 36 3.797 3.866 2.946 1.00 0.00 C ATOM 539 C GLY A 36 4.667 2.813 2.289 1.00 0.00 C ATOM 540 O GLY A 36 4.652 2.660 1.067 1.00 0.00 O ATOM 0 H GLY A 36 4.458 3.916 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.860 3.411 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.545 4.633 2.214 1.00 0.00 H new ATOM 544 N LEU A 37 5.427 2.086 3.100 1.00 0.00 N ATOM 545 CA LEU A 37 6.309 1.042 2.589 1.00 0.00 C ATOM 546 C LEU A 37 6.029 -0.291 3.276 1.00 0.00 C ATOM 547 O LEU A 37 5.787 -0.342 4.482 1.00 0.00 O ATOM 548 CB LEU A 37 7.773 1.437 2.796 1.00 0.00 C ATOM 549 CG LEU A 37 8.402 2.284 1.689 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.495 3.177 2.256 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.956 1.394 0.587 1.00 0.00 C ATOM 0 H LEU A 37 5.451 2.200 4.113 1.00 0.00 H new ATOM 0 HA LEU A 37 6.117 0.928 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.851 1.985 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.362 0.527 2.909 1.00 0.00 H new ATOM 0 HG LEU A 37 7.628 2.920 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.931 3.772 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.069 3.840 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.269 2.560 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.400 2.013 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.716 0.732 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.149 0.798 0.161 1.00 0.00 H new ATOM 563 N LEU A 38 6.066 -1.369 2.500 1.00 0.00 N ATOM 564 CA LEU A 38 5.818 -2.704 3.033 1.00 0.00 C ATOM 565 C LEU A 38 7.128 -3.452 3.258 1.00 0.00 C ATOM 566 O LEU A 38 7.833 -3.788 2.307 1.00 0.00 O ATOM 567 CB LEU A 38 4.922 -3.497 2.080 1.00 0.00 C ATOM 568 CG LEU A 38 4.756 -4.984 2.396 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.788 -5.179 3.552 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.278 -5.740 1.165 1.00 0.00 C ATOM 0 H LEU A 38 6.265 -1.345 1.500 1.00 0.00 H new ATOM 0 HA LEU A 38 5.312 -2.597 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.935 -3.035 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.325 -3.403 1.072 1.00 0.00 H new ATOM 0 HG LEU A 38 5.726 -5.384 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.682 -6.243 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.171 -4.670 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.816 -4.763 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.165 -6.797 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.318 -5.338 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.008 -5.628 0.363 1.00 0.00 H new ATOM 582 N GLU A 39 7.446 -3.711 4.523 1.00 0.00 N ATOM 583 CA GLU A 39 8.671 -4.422 4.872 1.00 0.00 C ATOM 584 C GLU A 39 8.355 -5.796 5.454 1.00 0.00 C ATOM 585 O GLU A 39 7.206 -6.097 5.778 1.00 0.00 O ATOM 586 CB GLU A 39 9.491 -3.607 5.874 1.00 0.00 C ATOM 587 CG GLU A 39 9.407 -2.106 5.652 1.00 0.00 C ATOM 588 CD GLU A 39 10.327 -1.328 6.572 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.883 -1.937 7.510 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.491 -0.109 6.354 1.00 0.00 O ATOM 0 H GLU A 39 6.873 -3.440 5.322 1.00 0.00 H new ATOM 0 HA GLU A 39 9.255 -4.558 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.148 -3.836 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.534 -3.917 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.660 -1.881 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.380 -1.776 5.808 1.00 0.00 H new ATOM 597 N TYR A 40 9.384 -6.627 5.583 1.00 0.00 N ATOM 598 CA TYR A 40 9.217 -7.971 6.124 1.00 0.00 C ATOM 599 C TYR A 40 10.534 -8.502 6.681 1.00 0.00 C ATOM 600 O TYR A 40 11.577 -8.411 6.033 1.00 0.00 O ATOM 601 CB TYR A 40 8.690 -8.916 5.042 1.00 0.00 C ATOM 602 CG TYR A 40 9.677 -9.168 3.925 1.00 0.00 C ATOM 603 CD1 TYR A 40 9.996 -8.168 3.015 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.290 -10.406 3.778 1.00 0.00 C ATOM 605 CE1 TYR A 40 10.896 -8.393 1.992 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.193 -10.640 2.759 1.00 0.00 C ATOM 607 CZ TYR A 40 11.493 -9.630 1.869 1.00 0.00 C ATOM 608 OH TYR A 40 12.391 -9.860 0.851 1.00 0.00 O ATOM 0 H TYR A 40 10.342 -6.394 5.321 1.00 0.00 H new ATOM 0 HA TYR A 40 8.494 -7.921 6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.423 -9.868 5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.776 -8.498 4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.532 -7.197 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.057 -11.199 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.131 -7.605 1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.661 -11.608 2.660 1.00 0.00 H new ATOM 0 HH TYR A 40 12.720 -10.781 0.907 1.00 0.00 H new ATOM 618 N PHE A 41 10.478 -9.057 7.887 1.00 0.00 N ATOM 619 CA PHE A 41 11.666 -9.602 8.533 1.00 0.00 C ATOM 620 C PHE A 41 11.489 -11.089 8.831 1.00 0.00 C ATOM 621 O PHE A 41 10.368 -11.597 8.866 1.00 0.00 O ATOM 622 CB PHE A 41 11.962 -8.843 9.828 1.00 0.00 C ATOM 623 CG PHE A 41 11.752 -7.360 9.715 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.478 -6.838 9.550 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.826 -6.488 9.774 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.282 -5.474 9.445 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.636 -5.123 9.669 1.00 0.00 C ATOM 628 CZ PHE A 41 11.362 -4.615 9.506 1.00 0.00 C ATOM 0 H PHE A 41 9.623 -9.141 8.437 1.00 0.00 H new ATOM 0 HA PHE A 41 12.507 -9.483 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.325 -9.233 10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.993 -9.034 10.124 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.630 -7.505 9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.824 -6.879 9.904 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.285 -5.080 9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.483 -4.454 9.714 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.211 -3.549 9.426 1.00 0.00 H new ATOM 638 N VAL A 42 12.604 -11.780 9.046 1.00 0.00 N ATOM 639 CA VAL A 42 12.573 -13.207 9.341 1.00 0.00 C ATOM 640 C VAL A 42 11.479 -13.536 10.350 1.00 0.00 C ATOM 641 O VAL A 42 10.767 -14.530 10.207 1.00 0.00 O ATOM 642 CB VAL A 42 13.927 -13.696 9.891 1.00 0.00 C ATOM 643 CG1 VAL A 42 14.964 -13.755 8.780 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.397 -12.796 11.024 1.00 0.00 C ATOM 0 H VAL A 42 13.540 -11.374 9.021 1.00 0.00 H new ATOM 0 HA VAL A 42 12.364 -13.720 8.402 1.00 0.00 H new ATOM 0 HB VAL A 42 13.797 -14.703 10.288 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.914 -14.102 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.628 -14.444 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.095 -12.761 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.354 -13.155 11.401 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.512 -11.777 10.655 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.662 -12.810 11.829 1.00 0.00 H new ATOM 654 N ASN A 43 11.350 -12.695 11.371 1.00 0.00 N ATOM 655 CA ASN A 43 10.341 -12.896 12.405 1.00 0.00 C ATOM 656 C ASN A 43 10.245 -11.675 13.315 1.00 0.00 C ATOM 657 O ASN A 43 10.924 -10.672 13.099 1.00 0.00 O ATOM 658 CB ASN A 43 10.671 -14.139 13.233 1.00 0.00 C ATOM 659 CG ASN A 43 10.145 -15.412 12.600 1.00 0.00 C ATOM 660 OD1 ASN A 43 8.971 -15.500 12.240 1.00 0.00 O ATOM 661 ND2 ASN A 43 11.014 -16.407 12.461 1.00 0.00 N ATOM 0 H ASN A 43 11.932 -11.868 11.505 1.00 0.00 H new ATOM 0 HA ASN A 43 9.378 -13.039 11.916 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.752 -14.216 13.353 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.246 -14.031 14.231 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.717 -17.288 12.042 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.978 -16.290 12.774 1.00 0.00 H new ATOM 668 N GLU A 44 9.396 -11.770 14.334 1.00 0.00 N ATOM 669 CA GLU A 44 9.211 -10.673 15.277 1.00 0.00 C ATOM 670 C GLU A 44 10.496 -10.399 16.053 1.00 0.00 C ATOM 671 O GLU A 44 10.800 -9.254 16.385 1.00 0.00 O ATOM 672 CB GLU A 44 8.074 -10.993 16.249 1.00 0.00 C ATOM 673 CG GLU A 44 7.335 -9.763 16.749 1.00 0.00 C ATOM 674 CD GLU A 44 6.738 -9.961 18.129 1.00 0.00 C ATOM 675 OE1 GLU A 44 5.640 -10.549 18.221 1.00 0.00 O ATOM 676 OE2 GLU A 44 7.369 -9.528 19.116 1.00 0.00 O ATOM 0 H GLU A 44 8.826 -12.594 14.527 1.00 0.00 H new ATOM 0 HA GLU A 44 8.953 -9.779 14.709 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.364 -11.658 15.758 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.480 -11.535 17.103 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.021 -8.916 16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.541 -9.511 16.047 1.00 0.00 H new ATOM 683 N GLN A 45 11.245 -11.459 16.338 1.00 0.00 N ATOM 684 CA GLN A 45 12.497 -11.333 17.075 1.00 0.00 C ATOM 685 C GLN A 45 13.566 -10.659 16.222 1.00 0.00 C ATOM 686 O GLN A 45 14.676 -10.402 16.689 1.00 0.00 O ATOM 687 CB GLN A 45 12.985 -12.710 17.531 1.00 0.00 C ATOM 688 CG GLN A 45 13.764 -12.677 18.836 1.00 0.00 C ATOM 689 CD GLN A 45 14.767 -13.809 18.945 1.00 0.00 C ATOM 690 OE1 GLN A 45 14.728 -14.765 18.170 1.00 0.00 O ATOM 691 NE2 GLN A 45 15.673 -13.707 19.911 1.00 0.00 N ATOM 0 H GLN A 45 11.007 -12.414 16.070 1.00 0.00 H new ATOM 0 HA GLN A 45 12.313 -10.711 17.951 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.126 -13.371 17.647 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.615 -13.140 16.752 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.287 -11.724 18.919 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.067 -12.732 19.672 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.669 -12.897 20.531 1.00 0.00 H new ATOM 0 HE22 GLN A 45 16.373 -14.439 20.033 1.00 0.00 H new ATOM 700 N SER A 46 13.224 -10.374 14.970 1.00 0.00 N ATOM 701 CA SER A 46 14.156 -9.733 14.050 1.00 0.00 C ATOM 702 C SER A 46 13.667 -8.340 13.664 1.00 0.00 C ATOM 703 O SER A 46 13.874 -7.888 12.538 1.00 0.00 O ATOM 704 CB SER A 46 14.337 -10.588 12.794 1.00 0.00 C ATOM 705 OG SER A 46 13.138 -10.647 12.040 1.00 0.00 O ATOM 0 H SER A 46 12.308 -10.577 14.569 1.00 0.00 H new ATOM 0 HA SER A 46 15.117 -9.635 14.556 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.136 -10.173 12.180 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.642 -11.595 13.077 1.00 0.00 H new ATOM 0 HG SER A 46 12.387 -10.349 12.595 1.00 0.00 H new ATOM 711 N ARG A 47 13.018 -7.666 14.607 1.00 0.00 N ATOM 712 CA ARG A 47 12.498 -6.325 14.367 1.00 0.00 C ATOM 713 C ARG A 47 13.631 -5.305 14.308 1.00 0.00 C ATOM 714 O ARG A 47 13.700 -4.493 13.386 1.00 0.00 O ATOM 715 CB ARG A 47 11.504 -5.936 15.463 1.00 0.00 C ATOM 716 CG ARG A 47 10.067 -6.320 15.147 1.00 0.00 C ATOM 717 CD ARG A 47 9.377 -5.254 14.311 1.00 0.00 C ATOM 718 NE ARG A 47 9.375 -3.954 14.976 1.00 0.00 N ATOM 719 CZ ARG A 47 8.968 -2.831 14.393 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.532 -2.850 13.141 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.997 -1.687 15.064 1.00 0.00 N ATOM 0 H ARG A 47 12.839 -8.026 15.544 1.00 0.00 H new ATOM 0 HA ARG A 47 11.985 -6.329 13.405 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.801 -6.413 16.397 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.556 -4.859 15.624 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.052 -7.270 14.612 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.516 -6.469 16.076 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.879 -5.168 13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.350 -5.560 14.109 1.00 0.00 H new ATOM 0 HE ARG A 47 9.704 -3.905 15.940 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.508 -3.728 12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.220 -1.987 12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.332 -1.669 16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.685 -0.825 14.617 1.00 0.00 H new ATOM 735 N ASN A 48 14.515 -5.353 15.298 1.00 0.00 N ATOM 736 CA ASN A 48 15.645 -4.432 15.359 1.00 0.00 C ATOM 737 C ASN A 48 16.632 -4.706 14.228 1.00 0.00 C ATOM 738 O ASN A 48 17.556 -3.927 13.997 1.00 0.00 O ATOM 739 CB ASN A 48 16.354 -4.551 16.710 1.00 0.00 C ATOM 740 CG ASN A 48 15.380 -4.648 17.868 1.00 0.00 C ATOM 741 OD1 ASN A 48 14.274 -4.110 17.810 1.00 0.00 O ATOM 742 ND2 ASN A 48 15.787 -5.335 18.928 1.00 0.00 N ATOM 0 H ASN A 48 14.472 -6.019 16.069 1.00 0.00 H new ATOM 0 HA ASN A 48 15.262 -3.418 15.245 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.996 -5.432 16.704 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.001 -3.686 16.855 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.175 -5.434 19.738 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.712 -5.765 18.933 1.00 0.00 H new ATOM 749 N GLN A 49 16.427 -5.816 13.527 1.00 0.00 N ATOM 750 CA GLN A 49 17.299 -6.192 12.421 1.00 0.00 C ATOM 751 C GLN A 49 16.845 -5.533 11.122 1.00 0.00 C ATOM 752 O GLN A 49 15.732 -5.014 11.032 1.00 0.00 O ATOM 753 CB GLN A 49 17.320 -7.712 12.254 1.00 0.00 C ATOM 754 CG GLN A 49 18.595 -8.236 11.613 1.00 0.00 C ATOM 755 CD GLN A 49 18.710 -9.746 11.691 1.00 0.00 C ATOM 756 OE1 GLN A 49 18.921 -10.309 12.765 1.00 0.00 O ATOM 757 NE2 GLN A 49 18.572 -10.410 10.549 1.00 0.00 N ATOM 0 H GLN A 49 15.665 -6.470 13.705 1.00 0.00 H new ATOM 0 HA GLN A 49 18.306 -5.845 12.652 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.196 -8.178 13.231 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.467 -8.014 11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.625 -7.927 10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.457 -7.784 12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.398 -9.902 9.682 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.640 -11.428 10.539 1.00 0.00 H new ATOM 766 N LYS A 50 17.715 -5.556 10.118 1.00 0.00 N ATOM 767 CA LYS A 50 17.404 -4.962 8.823 1.00 0.00 C ATOM 768 C LYS A 50 16.398 -5.816 8.059 1.00 0.00 C ATOM 769 O LYS A 50 16.511 -7.041 7.993 1.00 0.00 O ATOM 770 CB LYS A 50 18.681 -4.796 7.995 1.00 0.00 C ATOM 771 CG LYS A 50 18.542 -3.804 6.854 1.00 0.00 C ATOM 772 CD LYS A 50 18.449 -2.376 7.366 1.00 0.00 C ATOM 773 CE LYS A 50 19.824 -1.735 7.483 1.00 0.00 C ATOM 774 NZ LYS A 50 20.637 -2.362 8.561 1.00 0.00 N ATOM 0 H LYS A 50 18.641 -5.980 10.176 1.00 0.00 H new ATOM 0 HA LYS A 50 16.962 -3.981 8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.489 -4.472 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.969 -5.766 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.397 -3.896 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.652 -4.041 6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.828 -1.786 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.959 -2.369 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.349 -1.826 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.712 -0.670 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.368 -1.694 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.021 -2.607 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.090 -3.224 8.197 1.00 0.00 H new ATOM 788 N PRO A 51 15.390 -5.159 7.467 1.00 0.00 N ATOM 789 CA PRO A 51 14.346 -5.839 6.696 1.00 0.00 C ATOM 790 C PRO A 51 14.873 -6.410 5.384 1.00 0.00 C ATOM 791 O PRO A 51 15.483 -5.697 4.586 1.00 0.00 O ATOM 792 CB PRO A 51 13.326 -4.730 6.425 1.00 0.00 C ATOM 793 CG PRO A 51 14.114 -3.468 6.483 1.00 0.00 C ATOM 794 CD PRO A 51 15.193 -3.700 7.505 1.00 0.00 C ATOM 0 HA PRO A 51 13.935 -6.694 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.853 -4.857 5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.530 -4.734 7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.543 -3.231 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.482 -2.626 6.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.108 -3.164 7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.888 -3.361 8.495 1.00 0.00 H new ATOM 802 N ARG A 52 14.634 -7.699 5.167 1.00 0.00 N ATOM 803 CA ARG A 52 15.086 -8.366 3.951 1.00 0.00 C ATOM 804 C ARG A 52 14.865 -7.478 2.730 1.00 0.00 C ATOM 805 O ARG A 52 15.679 -7.460 1.807 1.00 0.00 O ATOM 806 CB ARG A 52 14.351 -9.695 3.769 1.00 0.00 C ATOM 807 CG ARG A 52 14.539 -10.659 4.929 1.00 0.00 C ATOM 808 CD ARG A 52 15.944 -11.241 4.946 1.00 0.00 C ATOM 809 NE ARG A 52 16.057 -12.424 4.096 1.00 0.00 N ATOM 810 CZ ARG A 52 15.428 -13.568 4.342 1.00 0.00 C ATOM 811 NH1 ARG A 52 14.645 -13.683 5.406 1.00 0.00 N ATOM 812 NH2 ARG A 52 15.581 -14.599 3.521 1.00 0.00 N ATOM 0 H ARG A 52 14.130 -8.303 5.817 1.00 0.00 H new ATOM 0 HA ARG A 52 16.154 -8.561 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.287 -9.497 3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.700 -10.171 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.347 -10.141 5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.810 -11.466 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.654 -10.485 4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.216 -11.502 5.969 1.00 0.00 H new ATOM 0 HE ARG A 52 16.651 -12.369 3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.524 -12.892 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.163 -14.563 5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.182 -14.513 2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.098 -15.477 3.710 1.00 0.00 H new ATOM 826 N GLY A 53 13.758 -6.743 2.732 1.00 0.00 N ATOM 827 CA GLY A 53 13.449 -5.864 1.619 1.00 0.00 C ATOM 828 C GLY A 53 12.149 -5.109 1.820 1.00 0.00 C ATOM 829 O GLY A 53 11.329 -5.481 2.660 1.00 0.00 O ATOM 0 H GLY A 53 13.069 -6.740 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.263 -5.151 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.387 -6.451 0.703 1.00 0.00 H new ATOM 833 N THR A 54 11.959 -4.045 1.047 1.00 0.00 N ATOM 834 CA THR A 54 10.752 -3.234 1.145 1.00 0.00 C ATOM 835 C THR A 54 10.150 -2.976 -0.232 1.00 0.00 C ATOM 836 O THR A 54 10.868 -2.685 -1.190 1.00 0.00 O ATOM 837 CB THR A 54 11.036 -1.884 1.831 1.00 0.00 C ATOM 838 OG1 THR A 54 11.850 -1.066 0.983 1.00 0.00 O ATOM 839 CG2 THR A 54 11.733 -2.092 3.166 1.00 0.00 C ATOM 0 H THR A 54 12.626 -3.724 0.345 1.00 0.00 H new ATOM 0 HA THR A 54 10.041 -3.797 1.749 1.00 0.00 H new ATOM 0 HB THR A 54 10.084 -1.385 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.025 -0.209 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.923 -1.125 3.632 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.098 -2.690 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.679 -2.610 3.006 1.00 0.00 H new ATOM 847 N LEU A 55 8.829 -3.082 -0.324 1.00 0.00 N ATOM 848 CA LEU A 55 8.130 -2.858 -1.585 1.00 0.00 C ATOM 849 C LEU A 55 7.227 -1.632 -1.496 1.00 0.00 C ATOM 850 O LEU A 55 6.441 -1.495 -0.559 1.00 0.00 O ATOM 851 CB LEU A 55 7.302 -4.090 -1.956 1.00 0.00 C ATOM 852 CG LEU A 55 6.597 -4.040 -3.313 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.559 -4.417 -4.428 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.385 -4.960 -3.318 1.00 0.00 C ATOM 0 H LEU A 55 8.221 -3.321 0.459 1.00 0.00 H new ATOM 0 HA LEU A 55 8.876 -2.681 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.957 -4.961 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.549 -4.244 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 55 6.255 -3.020 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.040 -4.376 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.396 -3.718 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.932 -5.427 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.896 -4.912 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.704 -5.984 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.685 -4.644 -2.544 1.00 0.00 H new ATOM 866 N GLN A 56 7.345 -0.745 -2.479 1.00 0.00 N ATOM 867 CA GLN A 56 6.537 0.469 -2.513 1.00 0.00 C ATOM 868 C GLN A 56 5.086 0.148 -2.855 1.00 0.00 C ATOM 869 O GLN A 56 4.811 -0.671 -3.733 1.00 0.00 O ATOM 870 CB GLN A 56 7.108 1.458 -3.531 1.00 0.00 C ATOM 871 CG GLN A 56 8.158 2.391 -2.950 1.00 0.00 C ATOM 872 CD GLN A 56 9.084 2.958 -4.008 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.644 3.641 -4.933 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.375 2.678 -3.877 1.00 0.00 N ATOM 0 H GLN A 56 7.992 -0.844 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 56 6.565 0.922 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.547 0.901 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.293 2.053 -3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.662 3.210 -2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.747 1.852 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.696 2.108 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.046 3.033 -4.559 1.00 0.00 H new ATOM 883 N LEU A 57 4.162 0.798 -2.157 1.00 0.00 N ATOM 884 CA LEU A 57 2.737 0.583 -2.387 1.00 0.00 C ATOM 885 C LEU A 57 2.142 1.716 -3.216 1.00 0.00 C ATOM 886 O LEU A 57 1.252 1.496 -4.038 1.00 0.00 O ATOM 887 CB LEU A 57 1.997 0.468 -1.054 1.00 0.00 C ATOM 888 CG LEU A 57 2.248 -0.812 -0.255 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.728 -0.664 1.167 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.599 -2.005 -0.941 1.00 0.00 C ATOM 0 H LEU A 57 4.373 1.478 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 57 2.620 -0.348 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.274 1.320 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.927 0.548 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 57 3.323 -0.985 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.915 -1.584 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.239 0.165 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.656 -0.466 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.788 -2.907 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.524 -1.841 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.019 -2.123 -1.940 1.00 0.00 H new ATOM 902 N ALA A 58 2.640 2.928 -2.996 1.00 0.00 N ATOM 903 CA ALA A 58 2.161 4.095 -3.726 1.00 0.00 C ATOM 904 C ALA A 58 1.999 3.787 -5.211 1.00 0.00 C ATOM 905 O ALA A 58 2.981 3.693 -5.946 1.00 0.00 O ATOM 906 CB ALA A 58 3.110 5.268 -3.529 1.00 0.00 C ATOM 0 H ALA A 58 3.375 3.127 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 58 1.182 4.363 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.739 6.132 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.171 5.513 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.100 5.000 -3.897 1.00 0.00 H new ATOM 912 N GLY A 59 0.753 3.628 -5.646 1.00 0.00 N ATOM 913 CA GLY A 59 0.486 3.330 -7.041 1.00 0.00 C ATOM 914 C GLY A 59 0.576 1.848 -7.345 1.00 0.00 C ATOM 915 O GLY A 59 0.900 1.456 -8.465 1.00 0.00 O ATOM 0 H GLY A 59 -0.077 3.700 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.508 3.692 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.196 3.870 -7.667 1.00 0.00 H new ATOM 919 N ALA A 60 0.290 1.022 -6.344 1.00 0.00 N ATOM 920 CA ALA A 60 0.340 -0.426 -6.509 1.00 0.00 C ATOM 921 C ALA A 60 -1.045 -0.992 -6.806 1.00 0.00 C ATOM 922 O ALA A 60 -2.039 -0.267 -6.793 1.00 0.00 O ATOM 923 CB ALA A 60 0.925 -1.079 -5.266 1.00 0.00 C ATOM 0 H ALA A 60 0.021 1.331 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 60 0.985 -0.649 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.956 -2.160 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.935 -0.705 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.303 -0.841 -4.403 1.00 0.00 H new ATOM 929 N VAL A 61 -1.102 -2.293 -7.073 1.00 0.00 N ATOM 930 CA VAL A 61 -2.365 -2.957 -7.372 1.00 0.00 C ATOM 931 C VAL A 61 -2.450 -4.313 -6.681 1.00 0.00 C ATOM 932 O VAL A 61 -1.515 -5.112 -6.742 1.00 0.00 O ATOM 933 CB VAL A 61 -2.550 -3.154 -8.889 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.622 -4.197 -9.165 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.896 -1.832 -9.558 1.00 0.00 C ATOM 0 H VAL A 61 -0.288 -2.908 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.159 -2.311 -6.997 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.611 -3.514 -9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.739 -4.323 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.329 -5.147 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.568 -3.870 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.023 -1.989 -10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.822 -1.442 -9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.091 -1.117 -9.389 1.00 0.00 H new ATOM 945 N ILE A 62 -3.577 -4.566 -6.024 1.00 0.00 N ATOM 946 CA ILE A 62 -3.785 -5.827 -5.322 1.00 0.00 C ATOM 947 C ILE A 62 -4.733 -6.737 -6.096 1.00 0.00 C ATOM 948 O ILE A 62 -5.896 -6.397 -6.314 1.00 0.00 O ATOM 949 CB ILE A 62 -4.351 -5.597 -3.909 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.313 -4.901 -3.026 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.780 -6.919 -3.289 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.270 -3.401 -3.213 1.00 0.00 C ATOM 0 H ILE A 62 -4.360 -3.915 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.810 -6.308 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.226 -4.952 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.529 -5.123 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.328 -5.314 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.178 -6.740 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.549 -7.379 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.920 -7.586 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.512 -2.974 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.023 -3.170 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.243 -2.976 -2.969 1.00 0.00 H new ATOM 964 N SER A 63 -4.228 -7.896 -6.507 1.00 0.00 N ATOM 965 CA SER A 63 -5.029 -8.855 -7.258 1.00 0.00 C ATOM 966 C SER A 63 -5.091 -10.197 -6.534 1.00 0.00 C ATOM 967 O SER A 63 -4.235 -11.065 -6.707 1.00 0.00 O ATOM 968 CB SER A 63 -4.451 -9.046 -8.661 1.00 0.00 C ATOM 969 OG SER A 63 -4.871 -8.010 -9.532 1.00 0.00 O ATOM 0 H SER A 63 -3.268 -8.193 -6.332 1.00 0.00 H new ATOM 0 HA SER A 63 -6.041 -8.459 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.362 -9.063 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.767 -10.010 -9.059 1.00 0.00 H new ATOM 0 HG SER A 63 -4.486 -8.155 -10.422 1.00 0.00 H new ATOM 975 N PRO A 64 -6.128 -10.372 -5.702 1.00 0.00 N ATOM 976 CA PRO A 64 -6.328 -11.605 -4.934 1.00 0.00 C ATOM 977 C PRO A 64 -6.714 -12.783 -5.821 1.00 0.00 C ATOM 978 O PRO A 64 -7.854 -12.883 -6.276 1.00 0.00 O ATOM 979 CB PRO A 64 -7.476 -11.250 -3.986 1.00 0.00 C ATOM 980 CG PRO A 64 -8.218 -10.161 -4.680 1.00 0.00 C ATOM 981 CD PRO A 64 -7.186 -9.380 -5.447 1.00 0.00 C ATOM 0 HA PRO A 64 -5.418 -11.920 -4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.118 -12.111 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.101 -10.919 -3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.975 -10.570 -5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.736 -9.524 -3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.593 -8.979 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.813 -8.533 -4.871 1.00 0.00 H new ATOM 989 N SER A 65 -5.758 -13.674 -6.063 1.00 0.00 N ATOM 990 CA SER A 65 -5.998 -14.845 -6.899 1.00 0.00 C ATOM 991 C SER A 65 -7.249 -15.590 -6.445 1.00 0.00 C ATOM 992 O SER A 65 -7.794 -15.316 -5.375 1.00 0.00 O ATOM 993 CB SER A 65 -4.789 -15.783 -6.859 1.00 0.00 C ATOM 994 OG SER A 65 -4.710 -16.564 -8.038 1.00 0.00 O ATOM 0 H SER A 65 -4.810 -13.608 -5.692 1.00 0.00 H new ATOM 0 HA SER A 65 -6.151 -14.504 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.876 -15.199 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.861 -16.437 -5.990 1.00 0.00 H new ATOM 0 HG SER A 65 -3.929 -17.153 -7.988 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.699 -16.532 -7.265 1.00 0.00 N ATOM 1001 CA ASP A 66 -8.886 -17.318 -6.948 1.00 0.00 C ATOM 1002 C ASP A 66 -8.582 -18.812 -7.015 1.00 0.00 C ATOM 1003 O ASP A 66 -9.478 -19.628 -7.230 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.024 -16.974 -7.911 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.750 -15.702 -7.517 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -10.069 -14.707 -7.194 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -11.999 -15.702 -7.531 1.00 0.00 O ATOM 0 H ASP A 66 -7.260 -16.770 -8.154 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.193 -17.072 -5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.623 -16.863 -8.918 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.734 -17.800 -7.940 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.313 -19.161 -6.830 1.00 0.00 N ATOM 1013 CA GLU A 67 -6.892 -20.557 -6.871 1.00 0.00 C ATOM 1014 C GLU A 67 -7.140 -21.240 -5.529 1.00 0.00 C ATOM 1015 O GLU A 67 -8.036 -22.075 -5.402 1.00 0.00 O ATOM 1016 CB GLU A 67 -5.410 -20.655 -7.239 1.00 0.00 C ATOM 1017 CG GLU A 67 -4.920 -22.082 -7.418 1.00 0.00 C ATOM 1018 CD GLU A 67 -5.310 -22.668 -8.761 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -4.988 -22.047 -9.796 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -5.936 -23.748 -8.777 1.00 0.00 O ATOM 0 H GLU A 67 -6.559 -18.498 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.483 -21.066 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.236 -20.102 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.819 -20.172 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.835 -22.105 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.328 -22.705 -6.622 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.341 -20.878 -4.531 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.474 -21.455 -3.198 1.00 0.00 C ATOM 1029 C ASP A 68 -7.223 -20.506 -2.268 1.00 0.00 C ATOM 1030 O ASP A 68 -7.139 -19.286 -2.410 1.00 0.00 O ATOM 1031 CB ASP A 68 -5.095 -21.775 -2.619 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.121 -22.259 -3.675 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -3.433 -21.410 -4.280 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -4.047 -23.485 -3.898 1.00 0.00 O ATOM 0 H ASP A 68 -5.595 -20.188 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.047 -22.378 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.691 -20.885 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.197 -22.537 -1.846 1.00 0.00 H new ATOM 1039 N SER A 69 -7.955 -21.075 -1.316 1.00 0.00 N ATOM 1040 CA SER A 69 -8.723 -20.280 -0.365 1.00 0.00 C ATOM 1041 C SER A 69 -7.955 -19.026 0.040 1.00 0.00 C ATOM 1042 O SER A 69 -8.480 -17.914 -0.026 1.00 0.00 O ATOM 1043 CB SER A 69 -9.055 -21.111 0.876 1.00 0.00 C ATOM 1044 OG SER A 69 -9.459 -22.422 0.519 1.00 0.00 O ATOM 0 H SER A 69 -8.033 -22.083 -1.183 1.00 0.00 H new ATOM 0 HA SER A 69 -9.651 -19.976 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.183 -21.161 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.849 -20.624 1.442 1.00 0.00 H new ATOM 0 HG SER A 69 -9.664 -22.933 1.330 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.708 -19.213 0.460 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.865 -18.097 0.875 1.00 0.00 C ATOM 1052 C HIS A 70 -4.752 -17.850 -0.138 1.00 0.00 C ATOM 1053 O HIS A 70 -3.787 -18.611 -0.215 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.264 -18.370 2.254 1.00 0.00 C ATOM 1055 CG HIS A 70 -6.130 -19.227 3.126 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.477 -19.316 3.222 1.00 0.00 N flip ATOM 1057 CD2 HIS A 70 -5.621 -20.128 4.038 1.00 0.00 C flip ATOM 1058 CE1 HIS A 70 -7.755 -20.260 4.180 1.00 0.00 C flip ATOM 1059 NE2 HIS A 70 -6.619 -20.735 4.656 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.259 -20.127 0.522 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.488 -17.204 0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.295 -18.854 2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.083 -17.420 2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.572 -20.309 4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.743 -20.564 4.493 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.527 -21.449 5.378 1.00 0.00 H new ATOM 1068 N THR A 71 -4.893 -16.780 -0.916 1.00 0.00 N ATOM 1069 CA THR A 71 -3.901 -16.434 -1.926 1.00 0.00 C ATOM 1070 C THR A 71 -4.121 -15.020 -2.450 1.00 0.00 C ATOM 1071 O THR A 71 -5.244 -14.635 -2.776 1.00 0.00 O ATOM 1072 CB THR A 71 -3.937 -17.419 -3.110 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.156 -18.751 -2.632 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.637 -17.366 -3.898 1.00 0.00 C ATOM 0 H THR A 71 -5.685 -16.139 -0.865 1.00 0.00 H new ATOM 0 HA THR A 71 -2.925 -16.493 -1.444 1.00 0.00 H new ATOM 0 HB THR A 71 -4.755 -17.130 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.533 -18.942 -1.900 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.686 -18.070 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.487 -16.358 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.805 -17.632 -3.246 1.00 0.00 H new ATOM 1082 N PHE A 72 -3.041 -14.249 -2.530 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.117 -12.875 -3.014 1.00 0.00 C ATOM 1084 C PHE A 72 -1.747 -12.385 -3.474 1.00 0.00 C ATOM 1085 O PHE A 72 -0.713 -12.883 -3.027 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.659 -11.955 -1.919 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.754 -11.845 -0.726 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.870 -12.733 0.332 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.788 -10.854 -0.661 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -2.039 -12.633 1.431 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -0.954 -10.749 0.436 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.079 -11.641 1.483 1.00 0.00 C ATOM 0 H PHE A 72 -2.104 -14.552 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.797 -12.853 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.818 -10.961 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.632 -12.324 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.618 -13.511 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.685 -10.155 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.140 -13.330 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.206 -9.971 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.427 -11.563 2.341 1.00 0.00 H new ATOM 1102 N THR A 73 -1.746 -11.404 -4.372 1.00 0.00 N ATOM 1103 CA THR A 73 -0.506 -10.847 -4.895 1.00 0.00 C ATOM 1104 C THR A 73 -0.477 -9.331 -4.742 1.00 0.00 C ATOM 1105 O THR A 73 -1.501 -8.663 -4.883 1.00 0.00 O ATOM 1106 CB THR A 73 -0.310 -11.206 -6.380 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.469 -10.829 -7.132 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.054 -12.696 -6.547 1.00 0.00 C ATOM 0 H THR A 73 -2.592 -10.979 -4.752 1.00 0.00 H new ATOM 0 HA THR A 73 0.306 -11.284 -4.314 1.00 0.00 H new ATOM 0 HB THR A 73 0.557 -10.660 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.269 -11.212 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.081 -12.926 -7.604 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.845 -12.975 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.905 -13.257 -6.160 1.00 0.00 H new ATOM 1116 N VAL A 74 0.704 -8.792 -4.454 1.00 0.00 N ATOM 1117 CA VAL A 74 0.866 -7.353 -4.284 1.00 0.00 C ATOM 1118 C VAL A 74 1.800 -6.777 -5.342 1.00 0.00 C ATOM 1119 O VAL A 74 3.018 -6.932 -5.260 1.00 0.00 O ATOM 1120 CB VAL A 74 1.419 -7.012 -2.887 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.578 -5.507 -2.728 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.513 -7.577 -1.803 1.00 0.00 C ATOM 0 H VAL A 74 1.562 -9.330 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.123 -6.908 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 74 2.402 -7.471 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.970 -5.285 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.269 -5.132 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.609 -5.024 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.919 -7.327 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.484 -7.149 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.455 -8.661 -1.906 1.00 0.00 H new ATOM 1132 N ASN A 75 1.221 -6.110 -6.335 1.00 0.00 N ATOM 1133 CA ASN A 75 2.001 -5.510 -7.411 1.00 0.00 C ATOM 1134 C ASN A 75 2.697 -4.239 -6.934 1.00 0.00 C ATOM 1135 O ASN A 75 2.516 -3.810 -5.795 1.00 0.00 O ATOM 1136 CB ASN A 75 1.101 -5.195 -8.608 1.00 0.00 C ATOM 1137 CG ASN A 75 0.916 -6.390 -9.522 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.724 -6.631 -10.419 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.153 -7.146 -9.299 1.00 0.00 N ATOM 0 H ASN A 75 0.214 -5.971 -6.417 1.00 0.00 H new ATOM 0 HA ASN A 75 2.763 -6.227 -7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.127 -4.861 -8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.531 -4.370 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.330 -7.964 -9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.797 -6.909 -8.544 1.00 0.00 H new ATOM 1146 N ALA A 76 3.492 -3.640 -7.815 1.00 0.00 N ATOM 1147 CA ALA A 76 4.212 -2.416 -7.485 1.00 0.00 C ATOM 1148 C ALA A 76 4.308 -1.493 -8.695 1.00 0.00 C ATOM 1149 O ALA A 76 4.680 -1.922 -9.787 1.00 0.00 O ATOM 1150 CB ALA A 76 5.602 -2.747 -6.960 1.00 0.00 C ATOM 0 H ALA A 76 3.654 -3.982 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 76 3.656 -1.895 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.129 -1.824 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.516 -3.362 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.158 -3.293 -7.722 1.00 0.00 H new ATOM 1156 N ALA A 77 3.969 -0.224 -8.493 1.00 0.00 N ATOM 1157 CA ALA A 77 4.017 0.760 -9.568 1.00 0.00 C ATOM 1158 C ALA A 77 5.187 0.489 -10.508 1.00 0.00 C ATOM 1159 O ALA A 77 5.005 0.352 -11.717 1.00 0.00 O ATOM 1160 CB ALA A 77 4.115 2.165 -8.992 1.00 0.00 C ATOM 0 H ALA A 77 3.658 0.147 -7.595 1.00 0.00 H new ATOM 0 HA ALA A 77 3.095 0.678 -10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.150 2.890 -9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.245 2.363 -8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.021 2.250 -8.391 1.00 0.00 H new ATOM 1166 N SER A 78 6.388 0.412 -9.944 1.00 0.00 N ATOM 1167 CA SER A 78 7.589 0.162 -10.732 1.00 0.00 C ATOM 1168 C SER A 78 7.385 -1.025 -11.669 1.00 0.00 C ATOM 1169 O SER A 78 7.462 -0.888 -12.889 1.00 0.00 O ATOM 1170 CB SER A 78 8.784 -0.098 -9.813 1.00 0.00 C ATOM 1171 OG SER A 78 9.323 1.116 -9.321 1.00 0.00 O ATOM 0 H SER A 78 6.555 0.519 -8.944 1.00 0.00 H new ATOM 0 HA SER A 78 7.790 1.048 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.475 -0.727 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.553 -0.647 -10.357 1.00 0.00 H new ATOM 0 HG SER A 78 10.084 0.922 -8.735 1.00 0.00 H new ATOM 1177 N GLY A 79 7.126 -2.193 -11.087 1.00 0.00 N ATOM 1178 CA GLY A 79 6.916 -3.388 -11.884 1.00 0.00 C ATOM 1179 C GLY A 79 7.394 -4.643 -11.182 1.00 0.00 C ATOM 1180 O GLY A 79 8.317 -5.309 -11.649 1.00 0.00 O ATOM 0 H GLY A 79 7.058 -2.333 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.855 -3.486 -12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.440 -3.284 -12.834 1.00 0.00 H new ATOM 1184 N GLU A 80 6.765 -4.967 -10.056 1.00 0.00 N ATOM 1185 CA GLU A 80 7.134 -6.150 -9.288 1.00 0.00 C ATOM 1186 C GLU A 80 5.931 -6.705 -8.532 1.00 0.00 C ATOM 1187 O GLU A 80 5.125 -5.950 -7.989 1.00 0.00 O ATOM 1188 CB GLU A 80 8.259 -5.817 -8.306 1.00 0.00 C ATOM 1189 CG GLU A 80 8.762 -7.020 -7.525 1.00 0.00 C ATOM 1190 CD GLU A 80 10.209 -6.874 -7.097 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.484 -6.040 -6.210 1.00 0.00 O ATOM 1192 OE2 GLU A 80 11.066 -7.594 -7.650 1.00 0.00 O ATOM 0 H GLU A 80 5.998 -4.427 -9.656 1.00 0.00 H new ATOM 0 HA GLU A 80 7.484 -6.910 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.091 -5.378 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.906 -5.061 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.138 -7.162 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.657 -7.916 -8.137 1.00 0.00 H new ATOM 1199 N GLN A 81 5.817 -8.029 -8.502 1.00 0.00 N ATOM 1200 CA GLN A 81 4.712 -8.685 -7.814 1.00 0.00 C ATOM 1201 C GLN A 81 5.214 -9.485 -6.617 1.00 0.00 C ATOM 1202 O GLN A 81 6.328 -10.010 -6.631 1.00 0.00 O ATOM 1203 CB GLN A 81 3.958 -9.605 -8.777 1.00 0.00 C ATOM 1204 CG GLN A 81 2.766 -10.303 -8.143 1.00 0.00 C ATOM 1205 CD GLN A 81 2.116 -11.308 -9.073 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.174 -10.983 -9.796 1.00 0.00 O ATOM 1207 NE2 GLN A 81 2.617 -12.538 -9.059 1.00 0.00 N ATOM 0 H GLN A 81 6.476 -8.668 -8.946 1.00 0.00 H new ATOM 0 HA GLN A 81 4.033 -7.913 -7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.615 -9.021 -9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.647 -10.357 -9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.088 -10.811 -7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.028 -9.557 -7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.399 -12.763 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.220 -13.257 -9.664 1.00 0.00 H new ATOM 1216 N TYR A 82 4.387 -9.575 -5.582 1.00 0.00 N ATOM 1217 CA TYR A 82 4.748 -10.308 -4.375 1.00 0.00 C ATOM 1218 C TYR A 82 3.797 -11.479 -4.144 1.00 0.00 C ATOM 1219 O TYR A 82 2.581 -11.302 -4.074 1.00 0.00 O ATOM 1220 CB TYR A 82 4.732 -9.376 -3.162 1.00 0.00 C ATOM 1221 CG TYR A 82 6.059 -8.701 -2.900 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.853 -8.254 -3.950 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.520 -8.510 -1.604 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.066 -7.637 -3.716 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.732 -7.892 -1.360 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.501 -7.458 -2.419 1.00 0.00 C ATOM 1227 OH TYR A 82 9.709 -6.844 -2.181 1.00 0.00 O ATOM 0 H TYR A 82 3.461 -9.149 -5.555 1.00 0.00 H new ATOM 0 HA TYR A 82 5.756 -10.702 -4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.969 -8.612 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.444 -9.947 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.515 -8.392 -4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.921 -8.850 -0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.671 -7.297 -4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.075 -7.750 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 82 9.866 -6.795 -1.215 1.00 0.00 H new ATOM 1237 N LYS A 83 4.361 -12.676 -4.024 1.00 0.00 N ATOM 1238 CA LYS A 83 3.566 -13.877 -3.798 1.00 0.00 C ATOM 1239 C LYS A 83 3.440 -14.174 -2.307 1.00 0.00 C ATOM 1240 O LYS A 83 4.377 -14.672 -1.681 1.00 0.00 O ATOM 1241 CB LYS A 83 4.197 -15.073 -4.515 1.00 0.00 C ATOM 1242 CG LYS A 83 3.323 -16.315 -4.511 1.00 0.00 C ATOM 1243 CD LYS A 83 3.564 -17.170 -5.744 1.00 0.00 C ATOM 1244 CE LYS A 83 2.655 -16.760 -6.893 1.00 0.00 C ATOM 1245 NZ LYS A 83 1.345 -17.466 -6.842 1.00 0.00 N ATOM 0 H LYS A 83 5.366 -12.840 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 83 2.568 -13.703 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.414 -14.795 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.150 -15.308 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.526 -16.901 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.274 -16.023 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.605 -17.080 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.393 -18.219 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.489 -15.683 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.148 -16.976 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.754 -17.160 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.501 -18.493 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.863 -17.240 -5.949 1.00 0.00 H new ATOM 1259 N LEU A 84 2.277 -13.866 -1.744 1.00 0.00 N ATOM 1260 CA LEU A 84 2.027 -14.101 -0.326 1.00 0.00 C ATOM 1261 C LEU A 84 0.778 -14.953 -0.127 1.00 0.00 C ATOM 1262 O LEU A 84 -0.009 -15.144 -1.054 1.00 0.00 O ATOM 1263 CB LEU A 84 1.874 -12.771 0.413 1.00 0.00 C ATOM 1264 CG LEU A 84 2.963 -11.729 0.152 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.703 -10.470 0.965 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.336 -12.301 0.475 1.00 0.00 C ATOM 0 H LEU A 84 1.492 -13.453 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 84 2.881 -14.640 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.911 -12.337 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.843 -12.974 1.483 1.00 0.00 H new ATOM 0 HG LEU A 84 2.941 -11.465 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.488 -9.740 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.737 -10.049 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.698 -10.717 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.099 -11.546 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.370 -12.594 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.523 -13.173 -0.151 1.00 0.00 H new ATOM 1278 N ARG A 85 0.602 -15.461 1.088 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.553 -16.292 1.409 1.00 0.00 C ATOM 1280 C ARG A 85 -1.035 -16.026 2.832 1.00 0.00 C ATOM 1281 O ARG A 85 -0.268 -16.135 3.789 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.204 -17.772 1.246 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.238 -18.711 1.844 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.672 -20.108 2.046 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.709 -21.134 1.978 1.00 0.00 N ATOM 1286 CZ ARG A 85 -1.461 -22.437 2.059 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -0.217 -22.869 2.211 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.458 -23.309 1.990 1.00 0.00 N ATOM 0 H ARG A 85 1.244 -15.312 1.867 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.356 -16.037 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.093 -17.996 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.762 -17.963 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.581 -18.315 2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.108 -18.761 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.084 -20.306 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.173 -20.161 3.014 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.677 -20.834 1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.552 -22.201 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.029 -23.870 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.416 -22.980 1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.266 -24.309 2.052 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.310 -15.675 2.964 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.895 -15.395 4.269 1.00 0.00 C ATOM 1304 C ALA A 86 -3.022 -16.668 5.098 1.00 0.00 C ATOM 1305 O ALA A 86 -3.023 -17.776 4.559 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.254 -14.731 4.107 1.00 0.00 C ATOM 0 H ALA A 86 -2.958 -15.578 2.182 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.230 -14.712 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.679 -14.528 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.139 -13.795 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.919 -15.394 3.554 1.00 0.00 H new ATOM 1312 N THR A 87 -3.128 -16.505 6.414 1.00 0.00 N ATOM 1313 CA THR A 87 -3.253 -17.641 7.317 1.00 0.00 C ATOM 1314 C THR A 87 -4.615 -18.311 7.173 1.00 0.00 C ATOM 1315 O THR A 87 -4.744 -19.522 7.353 1.00 0.00 O ATOM 1316 CB THR A 87 -3.057 -17.216 8.785 1.00 0.00 C ATOM 1317 OG1 THR A 87 -2.777 -18.364 9.594 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.294 -16.506 9.313 1.00 0.00 C ATOM 0 H THR A 87 -3.130 -15.596 6.877 1.00 0.00 H new ATOM 0 HA THR A 87 -2.471 -18.349 7.043 1.00 0.00 H new ATOM 0 HB THR A 87 -2.215 -16.526 8.831 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.652 -18.085 10.525 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.132 -16.216 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.487 -15.616 8.713 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.151 -17.176 9.254 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.628 -17.516 6.846 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.981 -18.034 6.675 1.00 0.00 C ATOM 1328 C ASP A 88 -7.775 -17.167 5.702 1.00 0.00 C ATOM 1329 O ASP A 88 -7.491 -15.981 5.538 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.700 -18.097 8.023 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.380 -19.365 8.790 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -6.302 -19.423 9.417 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -8.208 -20.300 8.763 1.00 0.00 O ATOM 0 H ASP A 88 -5.538 -16.511 6.694 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.909 -19.040 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.418 -17.232 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.776 -18.035 7.861 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.770 -17.769 5.058 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.605 -17.053 4.102 1.00 0.00 C ATOM 1340 C ALA A 89 -10.047 -15.705 4.661 1.00 0.00 C ATOM 1341 O ALA A 89 -10.259 -14.750 3.913 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.816 -17.893 3.726 1.00 0.00 C ATOM 0 H ALA A 89 -9.017 -18.751 5.181 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.012 -16.869 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.431 -17.346 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.484 -18.829 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.402 -18.107 4.620 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.185 -15.633 5.981 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.601 -14.402 6.642 1.00 0.00 C ATOM 1350 C LYS A 90 -9.477 -13.371 6.628 1.00 0.00 C ATOM 1351 O LYS A 90 -9.675 -12.231 6.209 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.026 -14.691 8.083 1.00 0.00 C ATOM 1353 CG LYS A 90 -12.262 -15.566 8.189 1.00 0.00 C ATOM 1354 CD LYS A 90 -12.838 -15.549 9.595 1.00 0.00 C ATOM 1355 CE LYS A 90 -13.663 -14.296 9.845 1.00 0.00 C ATOM 1356 NZ LYS A 90 -14.886 -14.259 8.997 1.00 0.00 N ATOM 0 H LYS A 90 -10.014 -16.414 6.614 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.451 -13.994 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.202 -15.176 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.215 -13.747 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.016 -15.220 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.010 -16.589 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.460 -16.431 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.028 -15.603 10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.948 -14.253 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.055 -13.414 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.590 -13.628 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.641 -13.906 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.282 -15.217 8.917 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.299 -13.780 7.088 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.145 -12.890 7.128 1.00 0.00 C ATOM 1372 C GLU A 91 -6.885 -12.274 5.756 1.00 0.00 C ATOM 1373 O GLU A 91 -6.599 -11.082 5.643 1.00 0.00 O ATOM 1374 CB GLU A 91 -5.903 -13.650 7.601 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.604 -12.899 7.365 1.00 0.00 C ATOM 1376 CD GLU A 91 -4.508 -11.627 8.185 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -5.248 -10.668 7.881 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -3.692 -11.590 9.130 1.00 0.00 O ATOM 0 H GLU A 91 -8.119 -14.721 7.438 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.362 -12.087 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.001 -13.863 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.857 -14.610 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.764 -13.549 7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.519 -12.652 6.307 1.00 0.00 H new ATOM 1385 N ARG A 92 -6.986 -13.096 4.716 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.761 -12.633 3.352 1.00 0.00 C ATOM 1387 C ARG A 92 -7.499 -11.323 3.093 1.00 0.00 C ATOM 1388 O ARG A 92 -6.879 -10.289 2.848 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.217 -13.695 2.349 1.00 0.00 C ATOM 1390 CG ARG A 92 -7.214 -13.212 0.908 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.923 -14.195 -0.011 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.376 -14.101 0.104 1.00 0.00 N ATOM 1393 CZ ARG A 92 -10.218 -14.833 -0.616 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -9.755 -15.708 -1.498 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -11.528 -14.691 -0.455 1.00 0.00 N ATOM 0 H ARG A 92 -7.222 -14.085 4.792 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.692 -12.458 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.566 -14.565 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.223 -14.023 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.702 -12.239 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.186 -13.074 0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.628 -14.004 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.605 -15.210 0.229 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.765 -13.437 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.749 -15.820 -1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.405 -16.269 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.889 -14.019 0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.174 -15.254 -1.009 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.826 -11.376 3.149 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.648 -10.194 2.920 1.00 0.00 C ATOM 1411 C GLN A 93 -9.069 -8.980 3.640 1.00 0.00 C ATOM 1412 O GLN A 93 -8.860 -7.928 3.035 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.082 -10.444 3.390 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.805 -11.517 2.592 1.00 0.00 C ATOM 1415 CD GLN A 93 -11.990 -11.137 1.136 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -11.100 -11.344 0.310 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.150 -10.577 0.813 1.00 0.00 N ATOM 0 H GLN A 93 -9.354 -12.225 3.351 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.655 -9.990 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.066 -10.733 4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.645 -9.513 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.243 -12.449 2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.780 -11.703 3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.860 -10.424 1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -13.331 -10.300 -0.152 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.812 -9.134 4.935 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.257 -8.050 5.738 1.00 0.00 C ATOM 1428 C HIS A 94 -7.059 -7.415 5.039 1.00 0.00 C ATOM 1429 O HIS A 94 -7.097 -6.244 4.661 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.843 -8.568 7.116 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.209 -7.524 7.982 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -7.914 -6.780 8.904 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.925 -7.103 8.065 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.093 -5.945 9.515 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.879 -6.122 9.024 1.00 0.00 N ATOM 0 H HIS A 94 -8.979 -9.998 5.450 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.029 -7.290 5.861 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.721 -8.966 7.624 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.146 -9.396 6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.092 -7.471 7.485 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.367 -5.238 10.284 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.043 -5.612 9.311 1.00 0.00 H new ATOM 1444 N TRP A 95 -5.996 -8.195 4.873 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.786 -7.708 4.220 1.00 0.00 C ATOM 1446 C TRP A 95 -5.116 -7.039 2.890 1.00 0.00 C ATOM 1447 O TRP A 95 -4.871 -5.847 2.706 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.804 -8.859 3.996 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.857 -9.062 5.140 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.827 -10.122 6.001 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.804 -8.182 5.547 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.819 -9.954 6.919 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.176 -8.772 6.662 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.329 -6.954 5.078 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.101 -8.174 7.313 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.262 -6.362 5.726 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.344 -6.972 6.832 1.00 0.00 C ATOM 0 H TRP A 95 -5.948 -9.166 5.181 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.324 -6.967 4.873 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.365 -9.779 3.830 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.231 -8.667 3.089 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.497 -10.968 5.965 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.587 -10.604 7.670 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.788 -6.477 4.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.366 -8.642 8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.112 -5.412 5.374 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.178 -6.485 7.314 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.674 -7.814 1.965 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.039 -7.296 0.652 1.00 0.00 C ATOM 1470 C VAL A 96 -6.684 -5.919 0.765 1.00 0.00 C ATOM 1471 O VAL A 96 -6.251 -4.964 0.119 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.007 -8.246 -0.077 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.547 -7.593 -1.340 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.318 -9.563 -0.401 1.00 0.00 C ATOM 0 H VAL A 96 -5.883 -8.803 2.101 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.117 -7.216 0.075 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.849 -8.455 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.229 -8.280 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.080 -6.679 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.720 -7.352 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.017 -10.222 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.457 -9.375 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.986 -10.037 0.523 1.00 0.00 H new ATOM 1484 N SER A 97 -7.722 -5.823 1.590 1.00 0.00 N ATOM 1485 CA SER A 97 -8.430 -4.563 1.785 1.00 0.00 C ATOM 1486 C SER A 97 -7.495 -3.497 2.347 1.00 0.00 C ATOM 1487 O SER A 97 -7.190 -2.508 1.680 1.00 0.00 O ATOM 1488 CB SER A 97 -9.619 -4.763 2.726 1.00 0.00 C ATOM 1489 OG SER A 97 -10.567 -3.720 2.578 1.00 0.00 O ATOM 0 H SER A 97 -8.091 -6.603 2.134 1.00 0.00 H new ATOM 0 HA SER A 97 -8.796 -4.226 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.094 -5.722 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.269 -4.797 3.758 1.00 0.00 H new ATOM 0 HG SER A 97 -11.318 -3.872 3.189 1.00 0.00 H new ATOM 1495 N ARG A 98 -7.043 -3.705 3.580 1.00 0.00 N ATOM 1496 CA ARG A 98 -6.145 -2.762 4.234 1.00 0.00 C ATOM 1497 C ARG A 98 -5.141 -2.188 3.238 1.00 0.00 C ATOM 1498 O ARG A 98 -5.023 -0.971 3.090 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.404 -3.445 5.385 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.285 -3.736 6.588 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.700 -2.457 7.298 1.00 0.00 C ATOM 1502 NE ARG A 98 -7.390 -2.728 8.557 1.00 0.00 N ATOM 1503 CZ ARG A 98 -8.679 -3.040 8.636 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -9.414 -3.120 7.535 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -9.235 -3.273 9.818 1.00 0.00 N ATOM 0 H ARG A 98 -7.285 -4.519 4.146 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.745 -1.944 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.974 -4.380 5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.574 -2.812 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.173 -4.279 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.750 -4.382 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.817 -1.848 7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.351 -1.875 6.646 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.853 -2.675 9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.990 -2.942 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.403 -3.360 7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.673 -3.213 10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.225 -3.512 9.878 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.419 -3.072 2.558 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.424 -2.654 1.577 1.00 0.00 C ATOM 1521 C LEU A 99 -4.065 -1.815 0.475 1.00 0.00 C ATOM 1522 O LEU A 99 -3.615 -0.707 0.185 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.735 -3.876 0.967 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.974 -4.774 1.944 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.746 -6.149 1.337 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.649 -4.135 2.335 1.00 0.00 C ATOM 0 H LEU A 99 -4.504 -4.082 2.668 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.680 -2.043 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.489 -4.479 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.038 -3.532 0.203 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.577 -4.892 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.203 -6.774 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.707 -6.610 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.164 -6.050 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.121 -4.788 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.040 -3.986 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.836 -3.173 2.812 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.118 -2.352 -0.133 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.821 -1.652 -1.201 1.00 0.00 C ATOM 1540 C GLN A 100 -6.145 -0.219 -0.792 1.00 0.00 C ATOM 1541 O GLN A 100 -6.234 0.673 -1.637 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.109 -2.394 -1.565 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.913 -3.471 -2.619 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.215 -3.893 -3.271 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -8.822 -4.954 -2.751 1.00 0.00 O flip ATOM 1546 NE2 GLN A 100 -8.670 -3.272 -4.232 1.00 0.00 N flip ATOM 0 H GLN A 100 -5.503 -3.269 0.096 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.168 -1.623 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.523 -2.849 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.844 -1.674 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.230 -3.104 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.442 -4.341 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.170 -2.462 -4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.547 -3.567 -4.661 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.319 -0.004 0.507 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.632 1.321 1.027 1.00 0.00 C ATOM 1557 C ILE A 101 -5.371 2.166 1.172 1.00 0.00 C ATOM 1558 O ILE A 101 -5.386 3.370 0.912 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.339 1.237 2.393 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.641 0.443 2.269 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.613 2.633 2.934 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.033 -0.277 3.541 1.00 0.00 C ATOM 0 H ILE A 101 -6.249 -0.731 1.219 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.302 1.792 0.308 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.684 0.719 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.445 1.121 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.537 -0.286 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.113 2.557 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.671 3.168 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.252 3.175 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.965 -0.819 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.248 -0.980 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.169 0.449 4.343 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.282 1.528 1.585 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.011 2.221 1.762 1.00 0.00 C ATOM 1576 C CYS A 102 -2.437 2.658 0.418 1.00 0.00 C ATOM 1577 O CYS A 102 -2.094 3.825 0.226 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.011 1.320 2.489 1.00 0.00 C ATOM 1579 SG CYS A 102 -0.566 2.192 3.137 1.00 0.00 S ATOM 0 H CYS A 102 -4.253 0.532 1.804 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.192 3.111 2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.521 0.821 3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.675 0.542 1.804 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.010 1.477 4.070 1.00 0.00 H new ATOM 1585 N THR A 103 -2.333 1.712 -0.510 1.00 0.00 N ATOM 1586 CA THR A 103 -1.798 1.998 -1.836 1.00 0.00 C ATOM 1587 C THR A 103 -2.452 3.236 -2.437 1.00 0.00 C ATOM 1588 O THR A 103 -1.794 4.031 -3.108 1.00 0.00 O ATOM 1589 CB THR A 103 -2.002 0.808 -2.792 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.182 0.967 -3.955 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.461 0.691 -3.207 1.00 0.00 C ATOM 0 H THR A 103 -2.612 0.741 -0.368 1.00 0.00 H new ATOM 0 HA THR A 103 -0.730 2.178 -1.714 1.00 0.00 H new ATOM 0 HB THR A 103 -1.715 -0.103 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.288 1.267 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.580 -0.156 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.080 0.540 -2.322 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.769 1.605 -3.714 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.748 3.394 -2.192 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.490 4.537 -2.710 1.00 0.00 C ATOM 1601 C GLN A 104 -4.347 5.743 -1.787 1.00 0.00 C ATOM 1602 O GLN A 104 -3.849 6.793 -2.193 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.968 4.180 -2.877 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.275 3.448 -4.174 1.00 0.00 C ATOM 1605 CD GLN A 104 -5.620 4.097 -5.378 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -4.496 3.756 -5.747 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -6.323 5.037 -5.999 1.00 0.00 N ATOM 0 H GLN A 104 -4.306 2.745 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.074 4.796 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.280 3.560 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.561 5.094 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.936 2.415 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.354 3.419 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.251 5.288 -5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.935 5.508 -6.816 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.788 5.585 -0.543 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.709 6.661 0.438 1.00 0.00 C ATOM 1618 C HIS A 105 -3.363 7.375 0.354 1.00 0.00 C ATOM 1619 O HIS A 105 -3.244 8.543 0.726 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.920 6.110 1.849 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.327 7.152 2.844 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.470 7.912 2.714 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -4.737 7.558 3.993 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.565 8.741 3.738 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.525 8.546 4.529 1.00 0.00 N ATOM 0 H HIS A 105 -5.204 4.723 -0.191 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.497 7.381 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.684 5.333 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.998 5.637 2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.817 7.176 4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.358 9.456 3.901 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.338 9.048 5.397 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.352 6.665 -0.135 1.00 0.00 N ATOM 1635 CA HIS A 106 -1.014 7.232 -0.268 1.00 0.00 C ATOM 1636 C HIS A 106 -0.819 7.847 -1.650 1.00 0.00 C ATOM 1637 O HIS A 106 -0.590 9.050 -1.780 1.00 0.00 O ATOM 1638 CB HIS A 106 0.045 6.156 -0.021 1.00 0.00 C ATOM 1639 CG HIS A 106 0.368 5.955 1.428 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.631 6.138 1.949 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.417 5.587 2.467 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.610 5.889 3.246 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.379 5.553 3.586 1.00 0.00 N ATOM 0 H HIS A 106 -2.433 5.697 -0.446 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.903 8.019 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.303 5.212 -0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.957 6.426 -0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.472 5.362 2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.456 5.950 3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.070 5.308 4.527 1.00 0.00 H new ATOM 1652 N THR A 107 -0.910 7.013 -2.682 1.00 0.00 N ATOM 1653 CA THR A 107 -0.742 7.474 -4.054 1.00 0.00 C ATOM 1654 C THR A 107 -1.529 8.755 -4.304 1.00 0.00 C ATOM 1655 O THR A 107 -1.073 9.643 -5.024 1.00 0.00 O ATOM 1656 CB THR A 107 -1.191 6.403 -5.066 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.523 6.599 -6.317 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.697 6.455 -5.276 1.00 0.00 C ATOM 0 H THR A 107 -1.099 6.015 -2.593 1.00 0.00 H new ATOM 0 HA THR A 107 0.321 7.671 -4.193 1.00 0.00 H new ATOM 0 HB THR A 107 -0.929 5.424 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.813 5.913 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.991 5.690 -5.995 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.203 6.276 -4.327 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.978 7.437 -5.657 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.712 8.844 -3.705 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.562 10.018 -3.864 1.00 0.00 C ATOM 1668 C GLU A 108 -2.771 11.300 -3.617 1.00 0.00 C ATOM 1669 O GLU A 108 -2.767 12.209 -4.447 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.752 9.948 -2.905 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.976 10.702 -3.397 1.00 0.00 C ATOM 1672 CD GLU A 108 -5.884 12.193 -3.138 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -5.671 12.582 -1.971 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -6.026 12.972 -4.105 1.00 0.00 O ATOM 0 H GLU A 108 -3.104 8.118 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.931 10.031 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.019 8.903 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.452 10.351 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.099 10.529 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.865 10.306 -2.906 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.103 11.364 -2.470 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.308 12.533 -2.113 1.00 0.00 C ATOM 1683 C ALA A 109 -0.564 13.081 -3.326 1.00 0.00 C ATOM 1684 O ALA A 109 -0.421 14.294 -3.483 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.327 12.185 -1.003 1.00 0.00 C ATOM 0 H ALA A 109 -2.096 10.620 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.986 13.307 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.260 13.067 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.877 11.847 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.339 11.392 -1.342 1.00 0.00 H new ATOM 1691 N ILE A 110 -0.091 12.180 -4.181 1.00 0.00 N ATOM 1692 CA ILE A 110 0.638 12.575 -5.380 1.00 0.00 C ATOM 1693 C ILE A 110 -0.267 13.324 -6.352 1.00 0.00 C ATOM 1694 O ILE A 110 -1.092 12.723 -7.038 1.00 0.00 O ATOM 1695 CB ILE A 110 1.244 11.354 -6.098 1.00 0.00 C ATOM 1696 CG1 ILE A 110 2.064 10.514 -5.117 1.00 0.00 C ATOM 1697 CG2 ILE A 110 2.106 11.802 -7.269 1.00 0.00 C ATOM 1698 CD1 ILE A 110 2.400 9.134 -5.638 1.00 0.00 C ATOM 0 H ILE A 110 -0.200 11.172 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 110 1.444 13.234 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 110 0.432 10.738 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.989 11.041 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.510 10.416 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.527 10.928 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.495 12.363 -7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.914 12.436 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.982 8.595 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.479 8.588 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.981 9.223 -6.556 1.00 0.00 H new ATOM 1710 N GLY A 111 -0.104 14.643 -6.407 1.00 0.00 N ATOM 1711 CA GLY A 111 -0.912 15.454 -7.300 1.00 0.00 C ATOM 1712 C GLY A 111 -0.087 16.467 -8.068 1.00 0.00 C ATOM 1713 O GLY A 111 -0.164 17.668 -7.807 1.00 0.00 O ATOM 0 H GLY A 111 0.573 15.164 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.433 14.805 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.675 15.975 -6.722 1.00 0.00 H new ATOM 1717 N LYS A 112 0.706 15.984 -9.018 1.00 0.00 N ATOM 1718 CA LYS A 112 1.550 16.856 -9.827 1.00 0.00 C ATOM 1719 C LYS A 112 1.675 16.322 -11.251 1.00 0.00 C ATOM 1720 O LYS A 112 1.687 15.112 -11.471 1.00 0.00 O ATOM 1721 CB LYS A 112 2.938 16.986 -9.196 1.00 0.00 C ATOM 1722 CG LYS A 112 3.685 15.668 -9.091 1.00 0.00 C ATOM 1723 CD LYS A 112 5.171 15.886 -8.864 1.00 0.00 C ATOM 1724 CE LYS A 112 5.991 14.712 -9.377 1.00 0.00 C ATOM 1725 NZ LYS A 112 7.425 14.826 -8.991 1.00 0.00 N ATOM 0 H LYS A 112 0.782 14.993 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 112 1.082 17.840 -9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.532 17.684 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.836 17.416 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.273 15.080 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.536 15.091 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.487 16.800 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.361 16.027 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.581 13.783 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.910 14.660 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.950 14.007 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.823 15.700 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.505 14.850 -7.954 1.00 0.00 H new ATOM 1739 N ASN A 113 1.770 17.234 -12.213 1.00 0.00 N ATOM 1740 CA ASN A 113 1.896 16.854 -13.616 1.00 0.00 C ATOM 1741 C ASN A 113 3.275 17.220 -14.157 1.00 0.00 C ATOM 1742 O ASN A 113 3.473 18.309 -14.695 1.00 0.00 O ATOM 1743 CB ASN A 113 0.811 17.537 -14.450 1.00 0.00 C ATOM 1744 CG ASN A 113 0.750 19.033 -14.206 1.00 0.00 C ATOM 1745 OD1 ASN A 113 0.670 19.484 -13.064 1.00 0.00 O ATOM 1746 ND2 ASN A 113 0.788 19.810 -15.283 1.00 0.00 N ATOM 0 H ASN A 113 1.762 18.240 -12.047 1.00 0.00 H new ATOM 0 HA ASN A 113 1.773 15.773 -13.687 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.999 17.351 -15.508 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.157 17.094 -14.216 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.751 20.824 -15.182 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.855 19.392 -16.211 1.00 0.00 H new ATOM 1753 N ASN A 114 4.225 16.303 -14.010 1.00 0.00 N ATOM 1754 CA ASN A 114 5.586 16.528 -14.484 1.00 0.00 C ATOM 1755 C ASN A 114 6.130 15.288 -15.186 1.00 0.00 C ATOM 1756 O ASN A 114 6.395 14.268 -14.550 1.00 0.00 O ATOM 1757 CB ASN A 114 6.498 16.909 -13.316 1.00 0.00 C ATOM 1758 CG ASN A 114 6.429 18.387 -12.986 1.00 0.00 C ATOM 1759 OD1 ASN A 114 5.919 18.777 -11.936 1.00 0.00 O ATOM 1760 ND2 ASN A 114 6.944 19.218 -13.885 1.00 0.00 N ATOM 0 H ASN A 114 4.078 15.396 -13.566 1.00 0.00 H new ATOM 0 HA ASN A 114 5.564 17.348 -15.201 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.218 16.330 -12.436 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.526 16.642 -13.559 1.00 0.00 H new ATOM 0 HD21 ASN A 114 6.927 20.224 -13.718 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.357 18.850 -14.742 1.00 0.00 H new ATOM 1767 N SER A 115 6.296 15.384 -16.501 1.00 0.00 N ATOM 1768 CA SER A 115 6.806 14.270 -17.291 1.00 0.00 C ATOM 1769 C SER A 115 8.029 14.691 -18.099 1.00 0.00 C ATOM 1770 O SER A 115 8.435 15.853 -18.073 1.00 0.00 O ATOM 1771 CB SER A 115 5.718 13.742 -18.229 1.00 0.00 C ATOM 1772 OG SER A 115 4.606 13.256 -17.497 1.00 0.00 O ATOM 0 H SER A 115 6.085 16.222 -17.042 1.00 0.00 H new ATOM 0 HA SER A 115 7.102 13.476 -16.605 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.396 14.537 -18.901 1.00 0.00 H new ATOM 0 HB3 SER A 115 6.125 12.944 -18.851 1.00 0.00 H new ATOM 0 HG SER A 115 3.924 12.926 -18.119 1.00 0.00 H new ATOM 1778 N GLY A 116 8.613 13.738 -18.818 1.00 0.00 N ATOM 1779 CA GLY A 116 9.785 14.028 -19.625 1.00 0.00 C ATOM 1780 C GLY A 116 10.219 12.844 -20.465 1.00 0.00 C ATOM 1781 O GLY A 116 10.071 11.687 -20.069 1.00 0.00 O ATOM 0 H GLY A 116 8.296 12.769 -18.857 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.572 14.874 -20.278 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.606 14.327 -18.973 1.00 0.00 H new ATOM 1785 N PRO A 117 10.768 13.127 -21.655 1.00 0.00 N ATOM 1786 CA PRO A 117 11.235 12.089 -22.579 1.00 0.00 C ATOM 1787 C PRO A 117 12.480 11.374 -22.065 1.00 0.00 C ATOM 1788 O PRO A 117 13.396 12.004 -21.537 1.00 0.00 O ATOM 1789 CB PRO A 117 11.555 12.869 -23.856 1.00 0.00 C ATOM 1790 CG PRO A 117 11.852 14.253 -23.391 1.00 0.00 C ATOM 1791 CD PRO A 117 10.975 14.483 -22.191 1.00 0.00 C ATOM 0 HA PRO A 117 10.493 11.303 -22.718 1.00 0.00 H new ATOM 0 HB2 PRO A 117 12.407 12.437 -24.381 1.00 0.00 H new ATOM 0 HB3 PRO A 117 10.714 12.856 -24.549 1.00 0.00 H new ATOM 0 HG2 PRO A 117 12.905 14.360 -23.131 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.641 14.982 -24.174 1.00 0.00 H new ATOM 0 HD2 PRO A 117 11.455 15.135 -21.461 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.032 14.954 -22.467 1.00 0.00 H new ATOM 1799 N SER A 118 12.506 10.054 -22.224 1.00 0.00 N ATOM 1800 CA SER A 118 13.638 9.253 -21.773 1.00 0.00 C ATOM 1801 C SER A 118 14.320 8.564 -22.951 1.00 0.00 C ATOM 1802 O SER A 118 15.506 8.773 -23.206 1.00 0.00 O ATOM 1803 CB SER A 118 13.177 8.208 -20.754 1.00 0.00 C ATOM 1804 OG SER A 118 13.116 8.760 -19.451 1.00 0.00 O ATOM 0 H SER A 118 11.757 9.517 -22.661 1.00 0.00 H new ATOM 0 HA SER A 118 14.357 9.921 -21.299 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.196 7.827 -21.037 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.862 7.361 -20.762 1.00 0.00 H new ATOM 0 HG SER A 118 12.817 8.074 -18.819 1.00 0.00 H new ATOM 1810 N SER A 119 13.561 7.740 -23.667 1.00 0.00 N ATOM 1811 CA SER A 119 14.091 7.016 -24.816 1.00 0.00 C ATOM 1812 C SER A 119 15.157 6.015 -24.383 1.00 0.00 C ATOM 1813 O SER A 119 16.204 5.892 -25.017 1.00 0.00 O ATOM 1814 CB SER A 119 14.678 7.995 -25.835 1.00 0.00 C ATOM 1815 OG SER A 119 14.630 7.457 -27.145 1.00 0.00 O ATOM 0 H SER A 119 12.577 7.557 -23.471 1.00 0.00 H new ATOM 0 HA SER A 119 13.270 6.468 -25.279 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.124 8.933 -25.803 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.710 8.225 -25.570 1.00 0.00 H new ATOM 0 HG SER A 119 15.009 8.102 -27.778 1.00 0.00 H new ATOM 1821 N GLY A 120 14.882 5.300 -23.296 1.00 0.00 N ATOM 1822 CA GLY A 120 15.827 4.319 -22.795 1.00 0.00 C ATOM 1823 C GLY A 120 15.156 3.236 -21.974 1.00 0.00 C ATOM 1824 O GLY A 120 15.777 2.640 -21.093 1.00 0.00 O ATOM 0 H GLY A 120 14.022 5.383 -22.754 1.00 0.00 H new ATOM 0 HA2 GLY A 120 16.351 3.862 -23.634 1.00 0.00 H new ATOM 0 HA3 GLY A 120 16.578 4.821 -22.185 1.00 0.00 H new TER 1828 GLY A 120