USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 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 79 THR OG1 : rot -22:sc= 0.938 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -5.02! C(o=-5!,f=-18!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= -0.955 F(o=-6.7,f=-5) USER MOD Set 2.1: A 47 TYR OH : rot 29:sc= -0.0584 USER MOD Set 2.2: A 49 CYS SG : rot 180:sc= -0.184 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0689 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 3 SER OG : rot 180:sc= -0.164 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 51:sc= 0.14 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.03 K(o=-1,f=-2.8!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.144 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.89 X(o=-1.9,f=-2.1) USER MOD Single : A 28 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.14) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 CYS SG : rot 54:sc= 1.23 USER MOD Single : A 52 SER OG : rot -46:sc= 1.05 USER MOD Single : A 55 LYS NZ :NH3+ -155:sc=-0.00124 (180deg=-0.429) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= 0.75 (180deg=-0.255!) USER MOD Single : A 64 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.01! C(o=-4!,f=-9.2!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 75 ASN : amide:sc= -2.31 X(o=-2.3,f=-2) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.241 K(o=-0.24,f=-2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 170:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 175:sc= -0.117 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 173:sc= -0.0478 (180deg=-0.0796) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0473 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -178:sc= 0.994 USER MOD Single : A 126 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.1) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -3:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 41.744 29.351 -21.263 1.00 0.00 N ATOM 2 CA GLY A 1 40.405 28.838 -21.503 1.00 0.00 C ATOM 3 C GLY A 1 39.347 29.896 -21.183 1.00 0.00 C ATOM 4 O GLY A 1 39.598 30.815 -20.405 1.00 0.00 O ATOM 0 H1 GLY A 1 42.190 29.594 -22.170 1.00 0.00 H new ATOM 0 H2 GLY A 1 41.688 30.201 -20.666 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.312 28.626 -20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.312 28.528 -22.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.236 27.952 -20.890 1.00 0.00 H new ATOM 8 N SER A 2 38.186 29.731 -21.800 1.00 0.00 N ATOM 9 CA SER A 2 37.089 30.660 -21.590 1.00 0.00 C ATOM 10 C SER A 2 35.752 29.921 -21.686 1.00 0.00 C ATOM 11 O SER A 2 35.654 28.891 -22.351 1.00 0.00 O ATOM 12 CB SER A 2 37.136 31.805 -22.603 1.00 0.00 C ATOM 13 OG SER A 2 38.428 32.402 -22.675 1.00 0.00 O ATOM 0 H SER A 2 37.981 28.968 -22.445 1.00 0.00 H new ATOM 0 HA SER A 2 37.190 31.088 -20.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.855 31.430 -23.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.402 32.562 -22.328 1.00 0.00 H new ATOM 0 HG SER A 2 38.417 33.127 -23.334 1.00 0.00 H new ATOM 19 N SER A 3 34.756 30.476 -21.011 1.00 0.00 N ATOM 20 CA SER A 3 33.430 29.883 -21.011 1.00 0.00 C ATOM 21 C SER A 3 32.406 30.891 -20.487 1.00 0.00 C ATOM 22 O SER A 3 32.775 31.919 -19.920 1.00 0.00 O ATOM 23 CB SER A 3 33.397 28.606 -20.168 1.00 0.00 C ATOM 24 OG SER A 3 32.122 27.972 -20.210 1.00 0.00 O ATOM 0 H SER A 3 34.841 31.330 -20.460 1.00 0.00 H new ATOM 0 HA SER A 3 33.175 29.616 -22.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.158 27.914 -20.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.648 28.847 -19.135 1.00 0.00 H new ATOM 0 HG SER A 3 32.142 27.160 -19.661 1.00 0.00 H new ATOM 30 N GLY A 4 31.139 30.563 -20.696 1.00 0.00 N ATOM 31 CA GLY A 4 30.059 31.427 -20.251 1.00 0.00 C ATOM 32 C GLY A 4 29.276 30.781 -19.106 1.00 0.00 C ATOM 33 O GLY A 4 29.743 29.823 -18.493 1.00 0.00 O ATOM 0 H GLY A 4 30.837 29.711 -21.168 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.465 32.384 -19.924 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.387 31.634 -21.084 1.00 0.00 H new ATOM 37 N SER A 5 28.099 31.333 -18.852 1.00 0.00 N ATOM 38 CA SER A 5 27.247 30.823 -17.791 1.00 0.00 C ATOM 39 C SER A 5 25.944 31.624 -17.735 1.00 0.00 C ATOM 40 O SER A 5 25.934 32.820 -18.021 1.00 0.00 O ATOM 41 CB SER A 5 27.960 30.875 -16.439 1.00 0.00 C ATOM 42 OG SER A 5 28.395 32.193 -16.115 1.00 0.00 O ATOM 0 H SER A 5 27.715 32.128 -19.362 1.00 0.00 H new ATOM 0 HA SER A 5 27.016 29.780 -18.010 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.288 30.513 -15.661 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.819 30.204 -16.456 1.00 0.00 H new ATOM 0 HG SER A 5 28.844 32.184 -15.244 1.00 0.00 H new ATOM 48 N SER A 6 24.877 30.932 -17.365 1.00 0.00 N ATOM 49 CA SER A 6 23.572 31.563 -17.268 1.00 0.00 C ATOM 50 C SER A 6 22.555 30.578 -16.690 1.00 0.00 C ATOM 51 O SER A 6 22.740 29.365 -16.780 1.00 0.00 O ATOM 52 CB SER A 6 23.103 32.070 -18.633 1.00 0.00 C ATOM 53 OG SER A 6 22.522 33.369 -18.550 1.00 0.00 O ATOM 0 H SER A 6 24.889 29.940 -17.129 1.00 0.00 H new ATOM 0 HA SER A 6 23.656 32.421 -16.601 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.948 32.094 -19.321 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.375 31.373 -19.048 1.00 0.00 H new ATOM 0 HG SER A 6 22.237 33.658 -19.442 1.00 0.00 H new ATOM 59 N GLY A 7 21.502 31.135 -16.109 1.00 0.00 N ATOM 60 CA GLY A 7 20.456 30.320 -15.516 1.00 0.00 C ATOM 61 C GLY A 7 19.658 31.119 -14.483 1.00 0.00 C ATOM 62 O GLY A 7 20.085 32.191 -14.057 1.00 0.00 O ATOM 0 H GLY A 7 21.351 32.141 -16.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.787 29.957 -16.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.898 29.444 -15.041 1.00 0.00 H new ATOM 66 N SER A 8 18.513 30.565 -14.110 1.00 0.00 N ATOM 67 CA SER A 8 17.652 31.213 -13.136 1.00 0.00 C ATOM 68 C SER A 8 18.163 30.937 -11.720 1.00 0.00 C ATOM 69 O SER A 8 19.042 30.099 -11.527 1.00 0.00 O ATOM 70 CB SER A 8 16.204 30.738 -13.279 1.00 0.00 C ATOM 71 OG SER A 8 15.424 31.634 -14.066 1.00 0.00 O ATOM 0 H SER A 8 18.162 29.675 -14.465 1.00 0.00 H new ATOM 0 HA SER A 8 17.674 32.287 -13.321 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.190 29.748 -13.736 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.755 30.639 -12.290 1.00 0.00 H new ATOM 0 HG SER A 8 14.507 31.295 -14.135 1.00 0.00 H new ATOM 77 N GLU A 9 17.590 31.658 -10.768 1.00 0.00 N ATOM 78 CA GLU A 9 17.977 31.502 -9.376 1.00 0.00 C ATOM 79 C GLU A 9 16.742 31.540 -8.474 1.00 0.00 C ATOM 80 O GLU A 9 16.450 32.565 -7.859 1.00 0.00 O ATOM 81 CB GLU A 9 18.990 32.572 -8.965 1.00 0.00 C ATOM 82 CG GLU A 9 20.136 31.961 -8.156 1.00 0.00 C ATOM 83 CD GLU A 9 21.463 32.650 -8.478 1.00 0.00 C ATOM 84 OE1 GLU A 9 22.097 32.225 -9.469 1.00 0.00 O ATOM 85 OE2 GLU A 9 21.815 33.585 -7.728 1.00 0.00 O ATOM 0 H GLU A 9 16.861 32.352 -10.933 1.00 0.00 H new ATOM 0 HA GLU A 9 18.458 30.531 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.388 33.061 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.492 33.341 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.923 32.053 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.213 30.896 -8.375 1.00 0.00 H new ATOM 92 N SER A 10 16.050 30.411 -8.423 1.00 0.00 N ATOM 93 CA SER A 10 14.853 30.303 -7.607 1.00 0.00 C ATOM 94 C SER A 10 14.446 28.835 -7.466 1.00 0.00 C ATOM 95 O SER A 10 13.535 28.371 -8.151 1.00 0.00 O ATOM 96 CB SER A 10 13.703 31.118 -8.204 1.00 0.00 C ATOM 97 OG SER A 10 13.527 30.853 -9.593 1.00 0.00 O ATOM 0 H SER A 10 16.296 29.563 -8.934 1.00 0.00 H new ATOM 0 HA SER A 10 15.075 30.708 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.780 30.888 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.898 32.181 -8.059 1.00 0.00 H new ATOM 0 HG SER A 10 13.467 29.885 -9.736 1.00 0.00 H new ATOM 103 N ILE A 11 15.141 28.144 -6.575 1.00 0.00 N ATOM 104 CA ILE A 11 14.864 26.738 -6.336 1.00 0.00 C ATOM 105 C ILE A 11 14.809 26.483 -4.828 1.00 0.00 C ATOM 106 O ILE A 11 15.823 26.587 -4.140 1.00 0.00 O ATOM 107 CB ILE A 11 15.877 25.860 -7.072 1.00 0.00 C ATOM 108 CG1 ILE A 11 15.849 26.133 -8.577 1.00 0.00 C ATOM 109 CG2 ILE A 11 15.653 24.380 -6.754 1.00 0.00 C ATOM 110 CD1 ILE A 11 17.125 26.846 -9.029 1.00 0.00 C ATOM 0 H ILE A 11 15.896 28.532 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 11 13.889 26.467 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 11 16.874 26.119 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.742 25.193 -9.119 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.980 26.744 -8.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 16.386 23.778 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.764 24.217 -5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.649 24.089 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 11 17.079 27.028 -10.103 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.216 27.797 -8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.990 26.222 -8.803 1.00 0.00 H new ATOM 122 N CYS A 12 13.615 26.153 -4.359 1.00 0.00 N ATOM 123 CA CYS A 12 13.414 25.882 -2.946 1.00 0.00 C ATOM 124 C CYS A 12 12.350 24.791 -2.812 1.00 0.00 C ATOM 125 O CYS A 12 11.458 24.683 -3.652 1.00 0.00 O ATOM 126 CB CYS A 12 13.033 27.148 -2.175 1.00 0.00 C ATOM 127 SG CYS A 12 11.567 27.930 -2.942 1.00 0.00 S ATOM 0 H CYS A 12 12.776 26.067 -4.933 1.00 0.00 H new ATOM 0 HA CYS A 12 14.348 25.534 -2.504 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.821 26.900 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.869 27.847 -2.172 1.00 0.00 H new ATOM 0 HG CYS A 12 11.250 29.002 -2.279 1.00 0.00 H new ATOM 133 N ASN A 13 12.480 24.010 -1.750 1.00 0.00 N ATOM 134 CA ASN A 13 11.540 22.931 -1.495 1.00 0.00 C ATOM 135 C ASN A 13 11.293 22.821 0.011 1.00 0.00 C ATOM 136 O ASN A 13 12.223 22.935 0.807 1.00 0.00 O ATOM 137 CB ASN A 13 12.096 21.591 -1.982 1.00 0.00 C ATOM 138 CG ASN A 13 13.384 21.229 -1.240 1.00 0.00 C ATOM 139 OD1 ASN A 13 14.342 21.983 -1.204 1.00 0.00 O ATOM 140 ND2 ASN A 13 13.353 20.036 -0.653 1.00 0.00 N ATOM 0 H ASN A 13 13.222 24.103 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 13 10.616 23.154 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.353 20.808 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.291 21.642 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.165 19.702 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.518 19.455 -0.723 1.00 0.00 H new ATOM 147 N SER A 14 10.033 22.600 0.356 1.00 0.00 N ATOM 148 CA SER A 14 9.651 22.473 1.752 1.00 0.00 C ATOM 149 C SER A 14 8.296 21.771 1.862 1.00 0.00 C ATOM 150 O SER A 14 7.256 22.378 1.613 1.00 0.00 O ATOM 151 CB SER A 14 9.597 23.841 2.435 1.00 0.00 C ATOM 152 OG SER A 14 10.405 23.885 3.607 1.00 0.00 O ATOM 0 H SER A 14 9.264 22.506 -0.307 1.00 0.00 H new ATOM 0 HA SER A 14 10.406 21.873 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.930 24.608 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.565 24.075 2.697 1.00 0.00 H new ATOM 0 HG SER A 14 10.345 24.775 4.013 1.00 0.00 H new ATOM 158 N LEU A 15 8.352 20.501 2.236 1.00 0.00 N ATOM 159 CA LEU A 15 7.142 19.709 2.382 1.00 0.00 C ATOM 160 C LEU A 15 7.161 19.004 3.739 1.00 0.00 C ATOM 161 O LEU A 15 8.222 18.822 4.334 1.00 0.00 O ATOM 162 CB LEU A 15 6.979 18.757 1.196 1.00 0.00 C ATOM 163 CG LEU A 15 6.387 19.366 -0.077 1.00 0.00 C ATOM 164 CD1 LEU A 15 7.383 19.290 -1.236 1.00 0.00 C ATOM 165 CD2 LEU A 15 5.049 18.711 -0.427 1.00 0.00 C ATOM 0 H LEU A 15 9.217 20.001 2.442 1.00 0.00 H new ATOM 0 HA LEU A 15 6.261 20.351 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.956 18.339 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.345 17.927 1.507 1.00 0.00 H new ATOM 0 HG LEU A 15 6.190 20.422 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.937 19.730 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.288 19.839 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.634 18.248 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.650 19.162 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.197 17.643 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.345 18.861 0.392 1.00 0.00 H new ATOM 177 N ASN A 16 5.973 18.625 4.190 1.00 0.00 N ATOM 178 CA ASN A 16 5.840 17.944 5.466 1.00 0.00 C ATOM 179 C ASN A 16 4.674 16.955 5.391 1.00 0.00 C ATOM 180 O ASN A 16 3.533 17.352 5.156 1.00 0.00 O ATOM 181 CB ASN A 16 5.547 18.936 6.592 1.00 0.00 C ATOM 182 CG ASN A 16 6.746 19.854 6.840 1.00 0.00 C ATOM 183 OD1 ASN A 16 7.895 19.458 6.739 1.00 0.00 O ATOM 184 ND2 ASN A 16 6.415 21.100 7.169 1.00 0.00 N ATOM 0 H ASN A 16 5.095 18.777 3.694 1.00 0.00 H new ATOM 0 HA ASN A 16 6.779 17.430 5.674 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.673 19.535 6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.305 18.393 7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.144 21.789 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.433 21.366 7.236 1.00 0.00 H new ATOM 191 N SER A 17 5.000 15.688 5.597 1.00 0.00 N ATOM 192 CA SER A 17 3.995 14.640 5.556 1.00 0.00 C ATOM 193 C SER A 17 2.738 15.091 6.303 1.00 0.00 C ATOM 194 O SER A 17 2.812 15.487 7.466 1.00 0.00 O ATOM 195 CB SER A 17 4.530 13.338 6.155 1.00 0.00 C ATOM 196 OG SER A 17 5.875 13.083 5.760 1.00 0.00 O ATOM 0 H SER A 17 5.947 15.363 5.793 1.00 0.00 H new ATOM 0 HA SER A 17 3.742 14.450 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.475 13.389 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.897 12.508 5.843 1.00 0.00 H new ATOM 0 HG SER A 17 6.181 12.244 6.164 1.00 0.00 H new ATOM 202 N LYS A 18 1.614 15.016 5.606 1.00 0.00 N ATOM 203 CA LYS A 18 0.344 15.412 6.189 1.00 0.00 C ATOM 204 C LYS A 18 -0.429 14.162 6.614 1.00 0.00 C ATOM 205 O LYS A 18 -0.665 13.268 5.803 1.00 0.00 O ATOM 206 CB LYS A 18 -0.430 16.315 5.227 1.00 0.00 C ATOM 207 CG LYS A 18 -0.845 15.549 3.969 1.00 0.00 C ATOM 208 CD LYS A 18 -0.347 16.255 2.707 1.00 0.00 C ATOM 209 CE LYS A 18 -1.496 16.963 1.986 1.00 0.00 C ATOM 210 NZ LYS A 18 -1.130 17.246 0.580 1.00 0.00 N ATOM 0 H LYS A 18 1.557 14.687 4.642 1.00 0.00 H new ATOM 0 HA LYS A 18 0.507 16.008 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.315 16.709 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.187 17.170 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.443 14.537 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.931 15.459 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.423 16.980 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.115 15.529 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.391 16.341 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.737 17.894 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.921 17.727 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.289 17.857 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.923 16.353 0.089 1.00 0.00 H new ATOM 224 N LEU A 19 -0.802 14.139 7.885 1.00 0.00 N ATOM 225 CA LEU A 19 -1.543 13.013 8.428 1.00 0.00 C ATOM 226 C LEU A 19 -0.705 11.740 8.286 1.00 0.00 C ATOM 227 O LEU A 19 0.100 11.623 7.363 1.00 0.00 O ATOM 228 CB LEU A 19 -2.924 12.916 7.775 1.00 0.00 C ATOM 229 CG LEU A 19 -4.094 13.456 8.600 1.00 0.00 C ATOM 230 CD1 LEU A 19 -3.952 14.961 8.834 1.00 0.00 C ATOM 231 CD2 LEU A 19 -5.433 13.101 7.949 1.00 0.00 C ATOM 0 H LEU A 19 -0.605 14.882 8.555 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.728 13.156 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.895 13.453 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.121 11.870 7.542 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.073 12.975 9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.797 15.319 9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.025 15.160 9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.933 15.478 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.248 13.496 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.479 13.536 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.527 12.017 7.877 1.00 0.00 H new ATOM 243 N GLU A 20 -0.924 10.820 9.213 1.00 0.00 N ATOM 244 CA GLU A 20 -0.199 9.561 9.203 1.00 0.00 C ATOM 245 C GLU A 20 -0.391 8.848 7.862 1.00 0.00 C ATOM 246 O GLU A 20 -1.463 8.924 7.263 1.00 0.00 O ATOM 247 CB GLU A 20 -0.636 8.667 10.366 1.00 0.00 C ATOM 248 CG GLU A 20 0.040 9.096 11.670 1.00 0.00 C ATOM 249 CD GLU A 20 -0.127 8.026 12.751 1.00 0.00 C ATOM 250 OE1 GLU A 20 -1.284 7.830 13.182 1.00 0.00 O ATOM 251 OE2 GLU A 20 0.906 7.428 13.123 1.00 0.00 O ATOM 0 H GLU A 20 -1.593 10.921 9.976 1.00 0.00 H new ATOM 0 HA GLU A 20 0.862 9.775 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.719 8.716 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.385 7.629 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.100 9.276 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.390 10.037 12.015 1.00 0.00 H new ATOM 258 N PRO A 21 0.692 8.156 7.419 1.00 0.00 N ATOM 259 CA PRO A 21 0.653 7.431 6.161 1.00 0.00 C ATOM 260 C PRO A 21 -0.160 6.141 6.296 1.00 0.00 C ATOM 261 O PRO A 21 0.355 5.051 6.054 1.00 0.00 O ATOM 262 CB PRO A 21 2.110 7.180 5.806 1.00 0.00 C ATOM 263 CG PRO A 21 2.891 7.360 7.098 1.00 0.00 C ATOM 264 CD PRO A 21 1.978 8.044 8.102 1.00 0.00 C ATOM 0 HA PRO A 21 0.154 7.990 5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.247 6.176 5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.452 7.879 5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.224 6.395 7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.784 7.960 6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.890 7.461 9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.363 9.024 8.384 1.00 0.00 H new ATOM 272 N THR A 22 -1.416 6.310 6.681 1.00 0.00 N ATOM 273 CA THR A 22 -2.305 5.173 6.851 1.00 0.00 C ATOM 274 C THR A 22 -3.150 4.964 5.592 1.00 0.00 C ATOM 275 O THR A 22 -3.102 5.773 4.667 1.00 0.00 O ATOM 276 CB THR A 22 -3.140 5.410 8.110 1.00 0.00 C ATOM 277 OG1 THR A 22 -4.037 6.454 7.741 1.00 0.00 O ATOM 278 CG2 THR A 22 -2.319 6.011 9.253 1.00 0.00 C ATOM 0 H THR A 22 -1.839 7.216 6.880 1.00 0.00 H new ATOM 0 HA THR A 22 -1.743 4.248 6.985 1.00 0.00 H new ATOM 0 HB THR A 22 -3.580 4.467 8.436 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.618 6.670 8.500 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.960 6.159 10.122 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.506 5.333 9.513 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.906 6.970 8.939 1.00 0.00 H new ATOM 286 N LEU A 23 -3.904 3.874 5.598 1.00 0.00 N ATOM 287 CA LEU A 23 -4.758 3.549 4.469 1.00 0.00 C ATOM 288 C LEU A 23 -5.820 4.638 4.308 1.00 0.00 C ATOM 289 O LEU A 23 -5.859 5.327 3.289 1.00 0.00 O ATOM 290 CB LEU A 23 -5.338 2.141 4.624 1.00 0.00 C ATOM 291 CG LEU A 23 -5.199 1.221 3.409 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.759 1.887 2.150 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.748 0.773 3.224 1.00 0.00 C ATOM 0 H LEU A 23 -3.941 3.205 6.367 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.179 3.530 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.854 1.662 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.397 2.230 4.868 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.792 0.324 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.648 1.212 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.815 2.114 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.214 2.810 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.677 0.120 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.114 1.647 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.418 0.232 4.111 1.00 0.00 H new ATOM 305 N GLU A 24 -6.657 4.759 5.328 1.00 0.00 N ATOM 306 CA GLU A 24 -7.717 5.752 5.312 1.00 0.00 C ATOM 307 C GLU A 24 -7.208 7.063 4.710 1.00 0.00 C ATOM 308 O GLU A 24 -7.771 7.565 3.739 1.00 0.00 O ATOM 309 CB GLU A 24 -8.279 5.976 6.718 1.00 0.00 C ATOM 310 CG GLU A 24 -9.568 5.179 6.926 1.00 0.00 C ATOM 311 CD GLU A 24 -10.639 6.036 7.604 1.00 0.00 C ATOM 312 OE1 GLU A 24 -11.063 7.023 6.966 1.00 0.00 O ATOM 313 OE2 GLU A 24 -11.010 5.683 8.744 1.00 0.00 O ATOM 0 H GLU A 24 -6.622 4.186 6.171 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.528 5.379 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.539 5.678 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.475 7.037 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.938 4.821 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.362 4.299 7.535 1.00 0.00 H new ATOM 320 N ASN A 25 -6.147 7.581 5.312 1.00 0.00 N ATOM 321 CA ASN A 25 -5.555 8.824 4.847 1.00 0.00 C ATOM 322 C ASN A 25 -4.516 8.516 3.766 1.00 0.00 C ATOM 323 O ASN A 25 -3.344 8.859 3.912 1.00 0.00 O ATOM 324 CB ASN A 25 -4.847 9.557 5.988 1.00 0.00 C ATOM 325 CG ASN A 25 -5.745 9.646 7.224 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.962 9.667 7.138 1.00 0.00 O ATOM 327 ND2 ASN A 25 -5.079 9.695 8.374 1.00 0.00 N ATOM 0 H ASN A 25 -5.682 7.162 6.118 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.355 9.453 4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.924 9.036 6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.569 10.560 5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.588 9.754 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.059 9.673 8.374 1.00 0.00 H new ATOM 334 N LEU A 26 -4.985 7.873 2.707 1.00 0.00 N ATOM 335 CA LEU A 26 -4.111 7.516 1.602 1.00 0.00 C ATOM 336 C LEU A 26 -4.251 8.557 0.490 1.00 0.00 C ATOM 337 O LEU A 26 -3.277 8.879 -0.190 1.00 0.00 O ATOM 338 CB LEU A 26 -4.388 6.083 1.142 1.00 0.00 C ATOM 339 CG LEU A 26 -3.687 5.645 -0.146 1.00 0.00 C ATOM 340 CD1 LEU A 26 -2.167 5.676 0.020 1.00 0.00 C ATOM 341 CD2 LEU A 26 -4.186 4.272 -0.602 1.00 0.00 C ATOM 0 H LEU A 26 -5.958 7.590 2.590 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.069 7.528 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.094 5.403 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.463 5.968 1.004 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.940 6.357 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.693 5.360 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.848 6.689 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.875 5.000 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.672 3.984 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.983 3.535 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.259 4.318 -0.787 1.00 0.00 H new ATOM 353 N GLU A 27 -5.469 9.055 0.338 1.00 0.00 N ATOM 354 CA GLU A 27 -5.748 10.053 -0.680 1.00 0.00 C ATOM 355 C GLU A 27 -5.005 11.353 -0.367 1.00 0.00 C ATOM 356 O GLU A 27 -4.346 11.920 -1.237 1.00 0.00 O ATOM 357 CB GLU A 27 -7.253 10.299 -0.808 1.00 0.00 C ATOM 358 CG GLU A 27 -7.986 9.018 -1.211 1.00 0.00 C ATOM 359 CD GLU A 27 -9.360 9.336 -1.804 1.00 0.00 C ATOM 360 OE1 GLU A 27 -9.762 10.515 -1.705 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.976 8.392 -2.345 1.00 0.00 O ATOM 0 H GLU A 27 -6.274 8.786 0.903 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.391 9.676 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.647 10.665 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.436 11.076 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.390 8.468 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.102 8.372 -0.341 1.00 0.00 H new ATOM 368 N ASN A 28 -5.135 11.787 0.878 1.00 0.00 N ATOM 369 CA ASN A 28 -4.484 13.009 1.317 1.00 0.00 C ATOM 370 C ASN A 28 -2.982 12.757 1.465 1.00 0.00 C ATOM 371 O ASN A 28 -2.176 13.672 1.303 1.00 0.00 O ATOM 372 CB ASN A 28 -5.023 13.464 2.674 1.00 0.00 C ATOM 373 CG ASN A 28 -5.853 14.742 2.534 1.00 0.00 C ATOM 374 OD1 ASN A 28 -5.463 15.699 1.885 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.016 14.705 3.177 1.00 0.00 N ATOM 0 H ASN A 28 -5.682 11.314 1.597 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.681 13.781 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.635 12.674 3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.193 13.638 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.642 15.509 3.145 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.282 13.872 3.702 1.00 0.00 H new ATOM 382 N LEU A 29 -2.651 11.511 1.772 1.00 0.00 N ATOM 383 CA LEU A 29 -1.261 11.127 1.944 1.00 0.00 C ATOM 384 C LEU A 29 -0.432 11.698 0.792 1.00 0.00 C ATOM 385 O LEU A 29 -0.884 11.721 -0.352 1.00 0.00 O ATOM 386 CB LEU A 29 -1.139 9.609 2.095 1.00 0.00 C ATOM 387 CG LEU A 29 0.199 8.998 1.674 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.230 9.107 2.800 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.018 7.555 1.200 1.00 0.00 C ATOM 0 H LEU A 29 -3.322 10.755 1.906 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.861 11.550 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.321 9.352 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.930 9.141 1.509 1.00 0.00 H new ATOM 0 HG LEU A 29 0.584 9.568 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.172 8.665 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.388 10.157 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.865 8.577 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.984 7.144 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.400 6.956 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.659 7.535 0.346 1.00 0.00 H new ATOM 401 N ASP A 30 0.768 12.147 1.134 1.00 0.00 N ATOM 402 CA ASP A 30 1.664 12.717 0.142 1.00 0.00 C ATOM 403 C ASP A 30 2.815 11.744 -0.118 1.00 0.00 C ATOM 404 O ASP A 30 3.821 11.762 0.591 1.00 0.00 O ATOM 405 CB ASP A 30 2.262 14.036 0.635 1.00 0.00 C ATOM 406 CG ASP A 30 3.409 14.584 -0.217 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.427 14.257 -1.423 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.243 15.316 0.358 1.00 0.00 O ATOM 0 H ASP A 30 1.140 12.127 2.084 1.00 0.00 H new ATOM 0 HA ASP A 30 1.090 12.898 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.470 14.784 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.621 13.896 1.655 1.00 0.00 H new ATOM 413 N VAL A 31 2.630 10.916 -1.136 1.00 0.00 N ATOM 414 CA VAL A 31 3.641 9.937 -1.498 1.00 0.00 C ATOM 415 C VAL A 31 4.988 10.642 -1.673 1.00 0.00 C ATOM 416 O VAL A 31 6.032 10.086 -1.334 1.00 0.00 O ATOM 417 CB VAL A 31 3.202 9.168 -2.746 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.634 10.118 -3.803 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.357 8.341 -3.315 1.00 0.00 C ATOM 0 H VAL A 31 1.795 10.903 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 31 3.761 9.200 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 31 2.409 8.479 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.329 9.547 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.771 10.643 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.397 10.842 -4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.018 7.804 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.180 9.003 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.696 7.626 -2.566 1.00 0.00 H new ATOM 429 N SER A 32 4.920 11.855 -2.201 1.00 0.00 N ATOM 430 CA SER A 32 6.121 12.642 -2.425 1.00 0.00 C ATOM 431 C SER A 32 6.788 12.971 -1.088 1.00 0.00 C ATOM 432 O SER A 32 7.919 13.455 -1.057 1.00 0.00 O ATOM 433 CB SER A 32 5.803 13.928 -3.190 1.00 0.00 C ATOM 434 OG SER A 32 6.924 14.400 -3.931 1.00 0.00 O ATOM 0 H SER A 32 4.052 12.312 -2.480 1.00 0.00 H new ATOM 0 HA SER A 32 6.808 12.052 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.969 13.749 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.483 14.698 -2.488 1.00 0.00 H new ATOM 0 HG SER A 32 6.680 15.221 -4.406 1.00 0.00 H new ATOM 440 N ALA A 33 6.060 12.695 -0.016 1.00 0.00 N ATOM 441 CA ALA A 33 6.567 12.956 1.321 1.00 0.00 C ATOM 442 C ALA A 33 7.635 11.917 1.668 1.00 0.00 C ATOM 443 O ALA A 33 8.705 12.263 2.164 1.00 0.00 O ATOM 444 CB ALA A 33 5.406 12.954 2.317 1.00 0.00 C ATOM 0 H ALA A 33 5.123 12.293 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 33 7.035 13.939 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.786 13.150 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.690 13.729 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.913 11.982 2.299 1.00 0.00 H new ATOM 450 N PHE A 34 7.306 10.663 1.393 1.00 0.00 N ATOM 451 CA PHE A 34 8.224 9.571 1.671 1.00 0.00 C ATOM 452 C PHE A 34 9.622 9.880 1.133 1.00 0.00 C ATOM 453 O PHE A 34 9.782 10.198 -0.044 1.00 0.00 O ATOM 454 CB PHE A 34 7.676 8.334 0.955 1.00 0.00 C ATOM 455 CG PHE A 34 6.327 7.851 1.490 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.210 7.460 2.788 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.244 7.814 0.669 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.958 7.012 3.284 1.00 0.00 C ATOM 459 CE2 PHE A 34 3.991 7.366 1.166 1.00 0.00 C ATOM 460 CZ PHE A 34 3.875 6.975 2.463 1.00 0.00 C ATOM 0 H PHE A 34 6.417 10.379 0.981 1.00 0.00 H new ATOM 0 HA PHE A 34 8.304 9.416 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.575 8.557 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.401 7.525 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.070 7.491 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.336 8.125 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.866 6.700 4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.131 7.336 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.922 6.635 2.841 1.00 0.00 H new ATOM 470 N GLN A 35 10.600 9.774 2.021 1.00 0.00 N ATOM 471 CA GLN A 35 11.979 10.038 1.650 1.00 0.00 C ATOM 472 C GLN A 35 12.669 8.744 1.215 1.00 0.00 C ATOM 473 O GLN A 35 13.869 8.736 0.945 1.00 0.00 O ATOM 474 CB GLN A 35 12.738 10.704 2.800 1.00 0.00 C ATOM 475 CG GLN A 35 11.839 11.686 3.554 1.00 0.00 C ATOM 476 CD GLN A 35 12.560 12.264 4.774 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.386 13.157 4.674 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.204 11.706 5.927 1.00 0.00 N ATOM 0 H GLN A 35 10.464 9.509 2.996 1.00 0.00 H new ATOM 0 HA GLN A 35 11.982 10.729 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.107 9.942 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.609 11.229 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.539 12.495 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.928 11.180 3.872 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.506 10.962 5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.629 12.021 6.799 1.00 0.00 H new ATOM 487 N ALA A 36 11.881 7.680 1.161 1.00 0.00 N ATOM 488 CA ALA A 36 12.401 6.383 0.763 1.00 0.00 C ATOM 489 C ALA A 36 13.297 6.552 -0.466 1.00 0.00 C ATOM 490 O ALA A 36 13.299 7.608 -1.096 1.00 0.00 O ATOM 491 CB ALA A 36 11.237 5.423 0.508 1.00 0.00 C ATOM 0 H ALA A 36 10.886 7.690 1.386 1.00 0.00 H new ATOM 0 HA ALA A 36 13.010 5.954 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.627 4.450 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.649 5.314 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.605 5.820 -0.286 1.00 0.00 H new ATOM 497 N PRO A 37 14.057 5.468 -0.777 1.00 0.00 N ATOM 498 CA PRO A 37 14.955 5.486 -1.919 1.00 0.00 C ATOM 499 C PRO A 37 14.177 5.361 -3.230 1.00 0.00 C ATOM 500 O PRO A 37 12.991 5.037 -3.224 1.00 0.00 O ATOM 501 CB PRO A 37 15.914 4.330 -1.683 1.00 0.00 C ATOM 502 CG PRO A 37 15.236 3.427 -0.667 1.00 0.00 C ATOM 503 CD PRO A 37 14.081 4.201 -0.052 1.00 0.00 C ATOM 0 HA PRO A 37 15.500 6.425 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.114 3.793 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.873 4.688 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.874 2.518 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 37 15.943 3.121 0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.140 3.663 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.234 4.358 1.016 1.00 0.00 H new ATOM 511 N GLU A 38 14.878 5.624 -4.324 1.00 0.00 N ATOM 512 CA GLU A 38 14.268 5.544 -5.640 1.00 0.00 C ATOM 513 C GLU A 38 14.345 4.113 -6.175 1.00 0.00 C ATOM 514 O GLU A 38 14.066 3.869 -7.348 1.00 0.00 O ATOM 515 CB GLU A 38 14.925 6.528 -6.609 1.00 0.00 C ATOM 516 CG GLU A 38 14.582 7.973 -6.241 1.00 0.00 C ATOM 517 CD GLU A 38 14.825 8.913 -7.424 1.00 0.00 C ATOM 518 OE1 GLU A 38 16.000 9.297 -7.611 1.00 0.00 O ATOM 519 OE2 GLU A 38 13.831 9.226 -8.113 1.00 0.00 O ATOM 0 H GLU A 38 15.862 5.892 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 38 13.218 5.821 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.006 6.392 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.592 6.319 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.539 8.035 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.187 8.289 -5.391 1.00 0.00 H new ATOM 526 N ASP A 39 14.725 3.203 -5.290 1.00 0.00 N ATOM 527 CA ASP A 39 14.843 1.803 -5.659 1.00 0.00 C ATOM 528 C ASP A 39 14.368 0.932 -4.494 1.00 0.00 C ATOM 529 O ASP A 39 14.742 -0.236 -4.394 1.00 0.00 O ATOM 530 CB ASP A 39 16.296 1.434 -5.963 1.00 0.00 C ATOM 531 CG ASP A 39 17.164 2.588 -6.468 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.404 3.512 -5.662 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.569 2.520 -7.649 1.00 0.00 O ATOM 0 H ASP A 39 14.955 3.408 -4.318 1.00 0.00 H new ATOM 0 HA ASP A 39 14.235 1.636 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.749 1.028 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.305 0.639 -6.709 1.00 0.00 H new ATOM 538 N LEU A 40 13.550 1.533 -3.643 1.00 0.00 N ATOM 539 CA LEU A 40 13.020 0.826 -2.489 1.00 0.00 C ATOM 540 C LEU A 40 12.621 -0.591 -2.903 1.00 0.00 C ATOM 541 O LEU A 40 13.237 -1.565 -2.472 1.00 0.00 O ATOM 542 CB LEU A 40 11.881 1.623 -1.850 1.00 0.00 C ATOM 543 CG LEU A 40 11.262 1.016 -0.589 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.279 0.972 0.554 1.00 0.00 C ATOM 545 CD2 LEU A 40 9.985 1.759 -0.192 1.00 0.00 C ATOM 0 H LEU A 40 13.241 2.501 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 40 13.784 0.730 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.253 2.618 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.093 1.751 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 40 10.979 -0.014 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.814 0.536 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.134 0.364 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.614 1.984 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.566 1.307 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.219 2.806 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.259 1.694 -1.003 1.00 0.00 H new ATOM 557 N LEU A 41 11.593 -0.663 -3.736 1.00 0.00 N ATOM 558 CA LEU A 41 11.105 -1.946 -4.214 1.00 0.00 C ATOM 559 C LEU A 41 11.780 -2.280 -5.546 1.00 0.00 C ATOM 560 O LEU A 41 11.104 -2.549 -6.538 1.00 0.00 O ATOM 561 CB LEU A 41 9.577 -1.946 -4.282 1.00 0.00 C ATOM 562 CG LEU A 41 8.857 -1.135 -3.202 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.603 -0.464 -3.765 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.544 -2.003 -1.981 1.00 0.00 C ATOM 0 H LEU A 41 11.084 0.146 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 41 11.370 -2.739 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.277 -1.562 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.231 -2.978 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 41 9.525 -0.341 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.110 0.106 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.883 0.207 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.921 -1.226 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.033 -1.402 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.904 -2.833 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.473 -2.393 -1.564 1.00 0.00 H new ATOM 576 N ASP A 42 13.104 -2.251 -5.525 1.00 0.00 N ATOM 577 CA ASP A 42 13.878 -2.547 -6.719 1.00 0.00 C ATOM 578 C ASP A 42 13.666 -4.011 -7.109 1.00 0.00 C ATOM 579 O ASP A 42 13.827 -4.907 -6.282 1.00 0.00 O ATOM 580 CB ASP A 42 15.373 -2.335 -6.473 1.00 0.00 C ATOM 581 CG ASP A 42 16.299 -3.093 -7.426 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.072 -2.977 -8.650 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.213 -3.771 -6.910 1.00 0.00 O ATOM 0 H ASP A 42 13.661 -2.027 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 42 13.544 -1.877 -7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.591 -1.270 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.604 -2.635 -5.451 1.00 0.00 H new ATOM 588 N GLY A 43 13.307 -4.208 -8.369 1.00 0.00 N ATOM 589 CA GLY A 43 13.071 -5.548 -8.879 1.00 0.00 C ATOM 590 C GLY A 43 12.035 -6.285 -8.026 1.00 0.00 C ATOM 591 O GLY A 43 12.183 -7.475 -7.755 1.00 0.00 O ATOM 0 H GLY A 43 13.174 -3.462 -9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.724 -5.492 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.006 -6.108 -8.886 1.00 0.00 H new ATOM 595 N CYS A 44 11.010 -5.546 -7.628 1.00 0.00 N ATOM 596 CA CYS A 44 9.950 -6.113 -6.812 1.00 0.00 C ATOM 597 C CYS A 44 8.620 -5.900 -7.537 1.00 0.00 C ATOM 598 O CYS A 44 8.182 -4.765 -7.717 1.00 0.00 O ATOM 599 CB CYS A 44 9.936 -5.513 -5.405 1.00 0.00 C ATOM 600 SG CYS A 44 11.534 -5.834 -4.572 1.00 0.00 S ATOM 0 H CYS A 44 10.891 -4.559 -7.856 1.00 0.00 H new ATOM 0 HA CYS A 44 10.123 -7.181 -6.678 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.754 -4.440 -5.460 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.121 -5.945 -4.825 1.00 0.00 H new ATOM 0 HG CYS A 44 12.507 -5.408 -5.321 1.00 0.00 H new ATOM 606 N ARG A 45 8.014 -7.010 -7.933 1.00 0.00 N ATOM 607 CA ARG A 45 6.742 -6.959 -8.634 1.00 0.00 C ATOM 608 C ARG A 45 5.586 -7.148 -7.650 1.00 0.00 C ATOM 609 O ARG A 45 5.405 -8.234 -7.101 1.00 0.00 O ATOM 610 CB ARG A 45 6.665 -8.039 -9.715 1.00 0.00 C ATOM 611 CG ARG A 45 7.693 -7.783 -10.819 1.00 0.00 C ATOM 612 CD ARG A 45 7.737 -8.950 -11.808 1.00 0.00 C ATOM 613 NE ARG A 45 8.955 -9.760 -11.581 1.00 0.00 N ATOM 614 CZ ARG A 45 10.190 -9.372 -11.927 1.00 0.00 C ATOM 615 NH1 ARG A 45 10.378 -8.184 -12.518 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.237 -10.171 -11.683 1.00 0.00 N ATOM 0 H ARG A 45 8.380 -7.950 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 45 6.664 -5.981 -9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.841 -9.018 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.663 -8.059 -10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.443 -6.863 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.679 -7.639 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.850 -9.572 -11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.727 -8.572 -12.830 1.00 0.00 H new ATOM 0 HE ARG A 45 8.847 -10.670 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.581 -7.575 -12.704 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.318 -7.889 -12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.094 -11.075 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.177 -9.875 -11.947 1.00 0.00 H new ATOM 630 N ILE A 46 4.833 -6.076 -7.457 1.00 0.00 N ATOM 631 CA ILE A 46 3.699 -6.110 -6.549 1.00 0.00 C ATOM 632 C ILE A 46 2.403 -5.998 -7.354 1.00 0.00 C ATOM 633 O ILE A 46 2.404 -5.482 -8.471 1.00 0.00 O ATOM 634 CB ILE A 46 3.846 -5.038 -5.467 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.264 -5.031 -4.892 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.786 -5.211 -4.377 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.952 -3.689 -5.148 1.00 0.00 C ATOM 0 H ILE A 46 4.986 -5.177 -7.914 1.00 0.00 H new ATOM 0 HA ILE A 46 3.664 -7.062 -6.019 1.00 0.00 H new ATOM 0 HB ILE A 46 3.680 -4.063 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.227 -5.226 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.847 -5.834 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.913 -4.437 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.793 -5.128 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.896 -6.192 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.958 -3.710 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.009 -3.508 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.379 -2.891 -4.676 1.00 0.00 H new ATOM 649 N TYR A 47 1.327 -6.488 -6.755 1.00 0.00 N ATOM 650 CA TYR A 47 0.027 -6.449 -7.403 1.00 0.00 C ATOM 651 C TYR A 47 -0.977 -5.652 -6.568 1.00 0.00 C ATOM 652 O TYR A 47 -1.211 -5.969 -5.402 1.00 0.00 O ATOM 653 CB TYR A 47 -0.443 -7.902 -7.493 1.00 0.00 C ATOM 654 CG TYR A 47 -1.797 -8.077 -8.184 1.00 0.00 C ATOM 655 CD1 TYR A 47 -1.859 -8.224 -9.554 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.957 -8.086 -7.435 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.133 -8.388 -10.204 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.231 -8.250 -8.085 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.257 -8.393 -9.438 1.00 0.00 C ATOM 660 OH TYR A 47 -5.460 -8.548 -10.051 1.00 0.00 O ATOM 0 H TYR A 47 1.329 -6.914 -5.828 1.00 0.00 H new ATOM 0 HA TYR A 47 0.099 -5.972 -8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.306 -8.483 -8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.504 -8.316 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.951 -8.216 -10.139 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.909 -7.970 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.195 -8.504 -11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.146 -8.259 -7.511 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.345 -9.075 -10.869 1.00 0.00 H new ATOM 670 N LEU A 48 -1.544 -4.633 -7.197 1.00 0.00 N ATOM 671 CA LEU A 48 -2.518 -3.788 -6.526 1.00 0.00 C ATOM 672 C LEU A 48 -3.924 -4.327 -6.794 1.00 0.00 C ATOM 673 O LEU A 48 -4.288 -4.581 -7.941 1.00 0.00 O ATOM 674 CB LEU A 48 -2.331 -2.326 -6.937 1.00 0.00 C ATOM 675 CG LEU A 48 -1.018 -1.670 -6.505 1.00 0.00 C ATOM 676 CD1 LEU A 48 -0.875 -0.275 -7.116 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.893 -1.645 -4.981 1.00 0.00 C ATOM 0 H LEU A 48 -1.348 -4.373 -8.164 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.367 -3.814 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.406 -2.262 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.157 -1.745 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.193 -2.273 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.067 0.169 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.886 -0.351 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.703 0.353 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.049 -1.174 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.722 -1.079 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.917 -2.665 -4.597 1.00 0.00 H new ATOM 689 N CYS A 49 -4.677 -4.486 -5.715 1.00 0.00 N ATOM 690 CA CYS A 49 -6.036 -4.991 -5.819 1.00 0.00 C ATOM 691 C CYS A 49 -6.887 -4.302 -4.751 1.00 0.00 C ATOM 692 O CYS A 49 -6.440 -4.114 -3.621 1.00 0.00 O ATOM 693 CB CYS A 49 -6.085 -6.515 -5.692 1.00 0.00 C ATOM 694 SG CYS A 49 -7.448 -7.185 -6.714 1.00 0.00 S ATOM 0 H CYS A 49 -4.372 -4.274 -4.765 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.437 -4.762 -6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.135 -6.945 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.229 -6.797 -4.649 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.479 -8.480 -6.601 1.00 0.00 H new ATOM 700 N GLY A 50 -8.100 -3.943 -5.147 1.00 0.00 N ATOM 701 CA GLY A 50 -9.018 -3.279 -4.238 1.00 0.00 C ATOM 702 C GLY A 50 -8.470 -1.917 -3.803 1.00 0.00 C ATOM 703 O GLY A 50 -8.104 -1.733 -2.644 1.00 0.00 O ATOM 0 H GLY A 50 -8.468 -4.100 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.985 -3.148 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.184 -3.905 -3.361 1.00 0.00 H new ATOM 707 N PHE A 51 -8.433 -0.999 -4.757 1.00 0.00 N ATOM 708 CA PHE A 51 -7.936 0.340 -4.487 1.00 0.00 C ATOM 709 C PHE A 51 -8.666 1.378 -5.342 1.00 0.00 C ATOM 710 O PHE A 51 -9.558 2.072 -4.855 1.00 0.00 O ATOM 711 CB PHE A 51 -6.451 0.348 -4.855 1.00 0.00 C ATOM 712 CG PHE A 51 -5.522 -0.033 -3.701 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.550 0.677 -2.542 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.668 -1.084 -3.834 1.00 0.00 C ATOM 715 CE1 PHE A 51 -4.688 0.323 -1.470 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.806 -1.438 -2.762 1.00 0.00 C ATOM 717 CZ PHE A 51 -3.834 -0.727 -1.603 1.00 0.00 C ATOM 0 H PHE A 51 -8.739 -1.155 -5.717 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.097 0.593 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.288 -0.343 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.181 1.342 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.228 1.511 -2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.646 -1.649 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.711 0.888 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.128 -2.272 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.178 -0.996 -0.788 1.00 0.00 H new ATOM 727 N SER A 52 -8.261 1.452 -6.601 1.00 0.00 N ATOM 728 CA SER A 52 -8.866 2.394 -7.528 1.00 0.00 C ATOM 729 C SER A 52 -8.824 3.806 -6.941 1.00 0.00 C ATOM 730 O SER A 52 -8.440 3.991 -5.787 1.00 0.00 O ATOM 731 CB SER A 52 -10.307 1.997 -7.853 1.00 0.00 C ATOM 732 OG SER A 52 -11.239 2.573 -6.941 1.00 0.00 O ATOM 0 H SER A 52 -7.521 0.875 -7.001 1.00 0.00 H new ATOM 0 HA SER A 52 -8.294 2.376 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.550 2.313 -8.867 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.398 0.911 -7.827 1.00 0.00 H new ATOM 0 HG SER A 52 -10.913 2.458 -6.024 1.00 0.00 H new ATOM 738 N GLY A 53 -9.223 4.766 -7.762 1.00 0.00 N ATOM 739 CA GLY A 53 -9.235 6.156 -7.338 1.00 0.00 C ATOM 740 C GLY A 53 -7.842 6.606 -6.893 1.00 0.00 C ATOM 741 O GLY A 53 -6.839 6.011 -7.285 1.00 0.00 O ATOM 0 H GLY A 53 -9.540 4.609 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.580 6.787 -8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.941 6.284 -6.518 1.00 0.00 H new ATOM 745 N ARG A 54 -7.825 7.653 -6.081 1.00 0.00 N ATOM 746 CA ARG A 54 -6.572 8.189 -5.578 1.00 0.00 C ATOM 747 C ARG A 54 -5.770 7.093 -4.872 1.00 0.00 C ATOM 748 O ARG A 54 -4.570 6.951 -5.102 1.00 0.00 O ATOM 749 CB ARG A 54 -6.818 9.341 -4.602 1.00 0.00 C ATOM 750 CG ARG A 54 -7.223 10.614 -5.347 1.00 0.00 C ATOM 751 CD ARG A 54 -8.238 11.424 -4.538 1.00 0.00 C ATOM 752 NE ARG A 54 -9.183 12.107 -5.449 1.00 0.00 N ATOM 753 CZ ARG A 54 -8.865 13.168 -6.203 1.00 0.00 C ATOM 754 NH1 ARG A 54 -7.625 13.673 -6.160 1.00 0.00 N ATOM 755 NH2 ARG A 54 -9.787 13.724 -7.001 1.00 0.00 N ATOM 0 H ARG A 54 -8.659 8.144 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.007 8.565 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.601 9.064 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.916 9.528 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.340 11.222 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.650 10.353 -6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.784 10.766 -3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.720 12.158 -3.921 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.136 11.748 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.923 13.250 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.383 14.481 -6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.731 13.340 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.545 14.532 -7.575 1.00 0.00 H new ATOM 769 N LYS A 55 -6.466 6.347 -4.027 1.00 0.00 N ATOM 770 CA LYS A 55 -5.835 5.269 -3.286 1.00 0.00 C ATOM 771 C LYS A 55 -4.853 4.533 -4.201 1.00 0.00 C ATOM 772 O LYS A 55 -3.700 4.317 -3.833 1.00 0.00 O ATOM 773 CB LYS A 55 -6.893 4.358 -2.660 1.00 0.00 C ATOM 774 CG LYS A 55 -7.695 5.103 -1.591 1.00 0.00 C ATOM 775 CD LYS A 55 -8.003 4.191 -0.402 1.00 0.00 C ATOM 776 CE LYS A 55 -7.690 4.892 0.922 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.826 4.755 1.861 1.00 0.00 N ATOM 0 H LYS A 55 -7.461 6.468 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.257 5.667 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.566 3.991 -3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.411 3.486 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.134 5.973 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.626 5.473 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.053 3.900 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.417 3.275 -0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.791 4.463 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.484 5.947 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.808 5.539 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.720 4.779 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.749 3.851 2.369 1.00 0.00 H new ATOM 791 N LEU A 56 -5.348 4.169 -5.375 1.00 0.00 N ATOM 792 CA LEU A 56 -4.529 3.463 -6.345 1.00 0.00 C ATOM 793 C LEU A 56 -3.411 4.387 -6.832 1.00 0.00 C ATOM 794 O LEU A 56 -2.232 4.056 -6.716 1.00 0.00 O ATOM 795 CB LEU A 56 -5.398 2.902 -7.473 1.00 0.00 C ATOM 796 CG LEU A 56 -4.658 2.138 -8.573 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.758 1.054 -7.978 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.640 1.569 -9.600 1.00 0.00 C ATOM 0 H LEU A 56 -6.306 4.350 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.051 2.600 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.143 2.238 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.939 3.729 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.011 2.839 -9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.244 0.526 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.023 1.514 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.365 0.348 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.089 1.031 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.330 0.887 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.201 2.384 -10.057 1.00 0.00 H new ATOM 810 N ASP A 57 -3.821 5.528 -7.367 1.00 0.00 N ATOM 811 CA ASP A 57 -2.869 6.502 -7.872 1.00 0.00 C ATOM 812 C ASP A 57 -1.677 6.587 -6.916 1.00 0.00 C ATOM 813 O ASP A 57 -0.529 6.653 -7.354 1.00 0.00 O ATOM 814 CB ASP A 57 -3.500 7.893 -7.964 1.00 0.00 C ATOM 815 CG ASP A 57 -3.410 8.554 -9.341 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.389 9.235 -9.578 1.00 0.00 O ATOM 817 OD2 ASP A 57 -4.364 8.363 -10.126 1.00 0.00 O ATOM 0 H ASP A 57 -4.800 5.799 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.554 6.182 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.550 7.819 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.018 8.543 -7.233 1.00 0.00 H new ATOM 822 N LYS A 58 -1.990 6.583 -5.629 1.00 0.00 N ATOM 823 CA LYS A 58 -0.959 6.658 -4.607 1.00 0.00 C ATOM 824 C LYS A 58 0.051 5.530 -4.824 1.00 0.00 C ATOM 825 O LYS A 58 1.180 5.775 -5.247 1.00 0.00 O ATOM 826 CB LYS A 58 -1.587 6.663 -3.212 1.00 0.00 C ATOM 827 CG LYS A 58 -2.325 7.976 -2.947 1.00 0.00 C ATOM 828 CD LYS A 58 -1.340 9.106 -2.638 1.00 0.00 C ATOM 829 CE LYS A 58 -2.053 10.459 -2.600 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.090 11.559 -2.834 1.00 0.00 N ATOM 0 H LYS A 58 -2.943 6.529 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.410 7.596 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.280 5.827 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.811 6.520 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.927 8.241 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.012 7.849 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.855 8.919 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.555 9.126 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.836 10.486 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.540 10.593 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.586 12.372 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.661 11.843 -1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.346 11.236 -3.484 1.00 0.00 H new ATOM 844 N LEU A 59 -0.392 4.317 -4.524 1.00 0.00 N ATOM 845 CA LEU A 59 0.460 3.150 -4.681 1.00 0.00 C ATOM 846 C LEU A 59 1.232 3.261 -5.997 1.00 0.00 C ATOM 847 O LEU A 59 2.448 3.075 -6.024 1.00 0.00 O ATOM 848 CB LEU A 59 -0.363 1.866 -4.557 1.00 0.00 C ATOM 849 CG LEU A 59 -0.417 1.236 -3.164 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.011 2.245 -2.089 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.795 0.629 -2.890 1.00 0.00 C ATOM 0 H LEU A 59 -1.329 4.118 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 59 1.199 3.107 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.383 2.079 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.042 1.130 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 59 0.306 0.421 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.058 1.771 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.006 2.588 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.691 3.096 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.807 0.188 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.555 1.408 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.007 -0.142 -3.631 1.00 0.00 H new ATOM 863 N ARG A 60 0.495 3.563 -7.055 1.00 0.00 N ATOM 864 CA ARG A 60 1.096 3.701 -8.371 1.00 0.00 C ATOM 865 C ARG A 60 2.320 4.617 -8.303 1.00 0.00 C ATOM 866 O ARG A 60 3.337 4.350 -8.941 1.00 0.00 O ATOM 867 CB ARG A 60 0.095 4.273 -9.377 1.00 0.00 C ATOM 868 CG ARG A 60 -0.864 3.189 -9.872 1.00 0.00 C ATOM 869 CD ARG A 60 -1.925 3.780 -10.803 1.00 0.00 C ATOM 870 NE ARG A 60 -1.435 3.773 -12.199 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.040 4.409 -13.211 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.162 5.107 -12.989 1.00 0.00 N ATOM 873 NH2 ARG A 60 -1.523 4.347 -14.446 1.00 0.00 N ATOM 0 H ARG A 60 -0.513 3.716 -7.028 1.00 0.00 H new ATOM 0 HA ARG A 60 1.399 2.708 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.471 5.080 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.630 4.704 -10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.304 2.415 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.348 2.710 -9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.847 3.203 -10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.162 4.799 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.583 3.251 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.556 5.154 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.622 5.591 -13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.669 3.816 -14.615 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.984 4.831 -15.217 1.00 0.00 H new ATOM 887 N ARG A 61 2.181 5.679 -7.522 1.00 0.00 N ATOM 888 CA ARG A 61 3.263 6.636 -7.362 1.00 0.00 C ATOM 889 C ARG A 61 4.312 6.094 -6.390 1.00 0.00 C ATOM 890 O ARG A 61 5.511 6.250 -6.614 1.00 0.00 O ATOM 891 CB ARG A 61 2.739 7.976 -6.841 1.00 0.00 C ATOM 892 CG ARG A 61 1.984 8.733 -7.936 1.00 0.00 C ATOM 893 CD ARG A 61 1.654 10.159 -7.490 1.00 0.00 C ATOM 894 NE ARG A 61 1.266 10.978 -8.659 1.00 0.00 N ATOM 895 CZ ARG A 61 1.251 12.318 -8.666 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.603 12.998 -7.566 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.884 12.978 -9.773 1.00 0.00 N ATOM 0 H ARG A 61 1.336 5.897 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 61 3.716 6.791 -8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.079 7.806 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.572 8.582 -6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.586 8.762 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.064 8.203 -8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.843 10.143 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.518 10.603 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 61 0.993 10.492 -9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.882 12.496 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.592 14.018 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.616 12.460 -10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.873 13.998 -9.778 1.00 0.00 H new ATOM 911 N LEU A 62 3.822 5.468 -5.329 1.00 0.00 N ATOM 912 CA LEU A 62 4.703 4.902 -4.322 1.00 0.00 C ATOM 913 C LEU A 62 5.591 3.837 -4.968 1.00 0.00 C ATOM 914 O LEU A 62 6.807 4.003 -5.049 1.00 0.00 O ATOM 915 CB LEU A 62 3.893 4.387 -3.130 1.00 0.00 C ATOM 916 CG LEU A 62 3.580 5.412 -2.039 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.154 5.947 -2.182 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.836 4.827 -0.648 1.00 0.00 C ATOM 0 H LEU A 62 2.827 5.341 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 62 5.365 5.669 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.951 3.984 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.437 3.558 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 62 4.255 6.259 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.957 6.674 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.041 6.426 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.446 5.122 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.606 5.576 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.202 3.953 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.883 4.535 -0.563 1.00 0.00 H new ATOM 930 N ILE A 63 4.950 2.766 -5.411 1.00 0.00 N ATOM 931 CA ILE A 63 5.666 1.674 -6.047 1.00 0.00 C ATOM 932 C ILE A 63 6.769 2.245 -6.941 1.00 0.00 C ATOM 933 O ILE A 63 7.936 1.885 -6.799 1.00 0.00 O ATOM 934 CB ILE A 63 4.693 0.751 -6.784 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.819 -0.024 -5.797 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.439 -0.179 -7.743 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.438 -0.307 -6.393 1.00 0.00 C ATOM 0 H ILE A 63 3.941 2.631 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 63 6.153 1.051 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 63 4.027 1.368 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.305 -0.964 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.711 0.547 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.724 -0.824 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.981 0.416 -8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.144 -0.792 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.836 -0.859 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.945 0.635 -6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.548 -0.899 -7.302 1.00 0.00 H new ATOM 949 N ASN A 64 6.359 3.126 -7.842 1.00 0.00 N ATOM 950 CA ASN A 64 7.297 3.751 -8.758 1.00 0.00 C ATOM 951 C ASN A 64 8.394 4.455 -7.957 1.00 0.00 C ATOM 952 O ASN A 64 9.576 4.334 -8.276 1.00 0.00 O ATOM 953 CB ASN A 64 6.601 4.798 -9.630 1.00 0.00 C ATOM 954 CG ASN A 64 6.871 4.543 -11.114 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.853 3.929 -11.497 1.00 0.00 O ATOM 956 ND2 ASN A 64 5.946 5.047 -11.926 1.00 0.00 N ATOM 0 H ASN A 64 5.390 3.422 -7.957 1.00 0.00 H new ATOM 0 HA ASN A 64 7.715 2.972 -9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.527 4.776 -9.443 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.952 5.794 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.035 4.930 -12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.148 5.551 -11.539 1.00 0.00 H new ATOM 963 N SER A 65 7.963 5.176 -6.932 1.00 0.00 N ATOM 964 CA SER A 65 8.894 5.900 -6.083 1.00 0.00 C ATOM 965 C SER A 65 9.897 4.928 -5.458 1.00 0.00 C ATOM 966 O SER A 65 10.996 5.326 -5.075 1.00 0.00 O ATOM 967 CB SER A 65 8.154 6.674 -4.990 1.00 0.00 C ATOM 968 OG SER A 65 8.448 8.068 -5.031 1.00 0.00 O ATOM 0 H SER A 65 6.982 5.274 -6.670 1.00 0.00 H new ATOM 0 HA SER A 65 9.432 6.620 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.080 6.526 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.428 6.274 -4.014 1.00 0.00 H new ATOM 0 HG SER A 65 7.955 8.527 -4.319 1.00 0.00 H new ATOM 974 N GLY A 66 9.484 3.672 -5.376 1.00 0.00 N ATOM 975 CA GLY A 66 10.333 2.640 -4.805 1.00 0.00 C ATOM 976 C GLY A 66 11.055 1.855 -5.902 1.00 0.00 C ATOM 977 O GLY A 66 12.011 1.133 -5.626 1.00 0.00 O ATOM 0 H GLY A 66 8.572 3.345 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.064 3.094 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.730 1.960 -4.203 1.00 0.00 H new ATOM 981 N GLY A 67 10.569 2.023 -7.123 1.00 0.00 N ATOM 982 CA GLY A 67 11.156 1.339 -8.263 1.00 0.00 C ATOM 983 C GLY A 67 10.369 0.073 -8.607 1.00 0.00 C ATOM 984 O GLY A 67 10.523 -0.482 -9.694 1.00 0.00 O ATOM 0 H GLY A 67 9.775 2.623 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.172 2.007 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.191 1.079 -8.042 1.00 0.00 H new ATOM 988 N GLY A 68 9.543 -0.348 -7.661 1.00 0.00 N ATOM 989 CA GLY A 68 8.732 -1.539 -7.850 1.00 0.00 C ATOM 990 C GLY A 68 7.944 -1.462 -9.159 1.00 0.00 C ATOM 991 O GLY A 68 7.867 -0.404 -9.781 1.00 0.00 O ATOM 0 H GLY A 68 9.418 0.115 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.372 -2.422 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.043 -1.651 -7.013 1.00 0.00 H new ATOM 995 N VAL A 69 7.378 -2.598 -9.538 1.00 0.00 N ATOM 996 CA VAL A 69 6.598 -2.674 -10.762 1.00 0.00 C ATOM 997 C VAL A 69 5.156 -3.054 -10.420 1.00 0.00 C ATOM 998 O VAL A 69 4.905 -4.132 -9.882 1.00 0.00 O ATOM 999 CB VAL A 69 7.256 -3.646 -11.743 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.252 -4.130 -12.792 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.479 -3.010 -12.407 1.00 0.00 C ATOM 0 H VAL A 69 7.444 -3.474 -9.019 1.00 0.00 H new ATOM 0 HA VAL A 69 6.570 -1.703 -11.257 1.00 0.00 H new ATOM 0 HB VAL A 69 7.595 -4.514 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.745 -4.820 -13.477 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.426 -4.640 -12.297 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.869 -3.276 -13.351 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.928 -3.722 -13.100 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.174 -2.117 -12.952 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.207 -2.738 -11.643 1.00 0.00 H new ATOM 1011 N ARG A 70 4.245 -2.148 -10.746 1.00 0.00 N ATOM 1012 CA ARG A 70 2.835 -2.376 -10.481 1.00 0.00 C ATOM 1013 C ARG A 70 2.240 -3.312 -11.534 1.00 0.00 C ATOM 1014 O ARG A 70 2.013 -2.906 -12.673 1.00 0.00 O ATOM 1015 CB ARG A 70 2.055 -1.059 -10.480 1.00 0.00 C ATOM 1016 CG ARG A 70 0.675 -1.239 -9.847 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.370 -0.371 -10.551 1.00 0.00 C ATOM 1018 NE ARG A 70 -1.551 -1.189 -10.907 1.00 0.00 N ATOM 1019 CZ ARG A 70 -2.436 -0.857 -11.857 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -2.279 0.278 -12.552 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -3.478 -1.659 -12.111 1.00 0.00 N ATOM 0 H ARG A 70 4.456 -1.255 -11.191 1.00 0.00 H new ATOM 0 HA ARG A 70 2.754 -2.835 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.615 -0.301 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.946 -0.696 -11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.380 -2.287 -9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.719 -0.976 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.669 0.451 -9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.059 0.073 -11.449 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.701 -2.060 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.486 0.889 -12.358 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.953 0.531 -13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.598 -2.522 -11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.152 -1.406 -12.834 1.00 0.00 H new ATOM 1035 N PHE A 71 2.006 -4.547 -11.117 1.00 0.00 N ATOM 1036 CA PHE A 71 1.442 -5.545 -12.010 1.00 0.00 C ATOM 1037 C PHE A 71 -0.073 -5.370 -12.141 1.00 0.00 C ATOM 1038 O PHE A 71 -0.779 -5.277 -11.139 1.00 0.00 O ATOM 1039 CB PHE A 71 1.734 -6.914 -11.394 1.00 0.00 C ATOM 1040 CG PHE A 71 2.873 -7.674 -12.076 1.00 0.00 C ATOM 1041 CD1 PHE A 71 4.099 -7.097 -12.197 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.660 -8.926 -12.562 1.00 0.00 C ATOM 1043 CE1 PHE A 71 5.156 -7.802 -12.831 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.717 -9.631 -13.196 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.943 -9.055 -13.317 1.00 0.00 C ATOM 0 H PHE A 71 2.197 -4.880 -10.172 1.00 0.00 H new ATOM 0 HA PHE A 71 1.880 -5.445 -13.003 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.979 -6.782 -10.340 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.829 -7.521 -11.437 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.268 -6.103 -11.811 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.687 -9.384 -12.466 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.129 -7.344 -12.927 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.547 -10.625 -13.582 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.747 -9.592 -13.799 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.526 -5.332 -13.385 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.944 -5.171 -13.660 1.00 0.00 C ATOM 1057 C ASN A 72 -2.574 -6.546 -13.891 1.00 0.00 C ATOM 1058 O ASN A 72 -3.721 -6.642 -14.325 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.169 -4.331 -14.919 1.00 0.00 C ATOM 1060 CG ASN A 72 -2.412 -2.863 -14.563 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -1.608 -2.213 -13.915 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -3.562 -2.378 -15.022 1.00 0.00 N ATOM 0 H ASN A 72 0.063 -5.410 -14.214 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.398 -4.669 -12.805 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.301 -4.411 -15.574 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.023 -4.721 -15.473 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.816 -1.407 -14.838 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.190 -2.977 -15.558 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.797 -7.575 -13.589 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.265 -8.941 -13.758 1.00 0.00 C ATOM 1071 C GLN A 73 -1.734 -9.827 -12.629 1.00 0.00 C ATOM 1072 O GLN A 73 -0.652 -9.581 -12.099 1.00 0.00 O ATOM 1073 CB GLN A 73 -1.861 -9.494 -15.126 1.00 0.00 C ATOM 1074 CG GLN A 73 -0.378 -9.238 -15.404 1.00 0.00 C ATOM 1075 CD GLN A 73 -0.086 -9.282 -16.905 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -0.726 -9.988 -17.668 1.00 0.00 O ATOM 1077 NE2 GLN A 73 0.912 -8.490 -17.286 1.00 0.00 N ATOM 0 H GLN A 73 -0.847 -7.491 -13.228 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.354 -8.940 -13.711 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.062 -10.565 -15.163 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.466 -9.028 -15.904 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.092 -8.266 -15.003 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.226 -9.986 -14.890 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.406 -7.925 -16.596 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.183 -8.448 -18.268 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.521 -10.840 -12.296 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.144 -11.764 -11.239 1.00 0.00 C ATOM 1088 C LEU A 74 -1.417 -12.962 -11.852 1.00 0.00 C ATOM 1089 O LEU A 74 -1.964 -13.652 -12.711 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.366 -12.148 -10.402 1.00 0.00 C ATOM 1091 CG LEU A 74 -3.102 -12.434 -8.923 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.661 -12.897 -8.702 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -3.452 -11.220 -8.059 1.00 0.00 C ATOM 0 H LEU A 74 -3.417 -11.041 -12.739 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.449 -11.289 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.097 -11.342 -10.471 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.823 -13.032 -10.847 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.754 -13.250 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.500 -13.093 -7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.480 -13.809 -9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.974 -12.119 -9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.255 -11.450 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.844 -10.369 -8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.507 -10.976 -8.185 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.194 -13.173 -11.387 1.00 0.00 N ATOM 1106 CA ASN A 75 0.614 -14.276 -11.878 1.00 0.00 C ATOM 1107 C ASN A 75 1.627 -14.679 -10.805 1.00 0.00 C ATOM 1108 O ASN A 75 1.628 -14.122 -9.707 1.00 0.00 O ATOM 1109 CB ASN A 75 1.391 -13.873 -13.134 1.00 0.00 C ATOM 1110 CG ASN A 75 0.439 -13.550 -14.287 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -0.352 -14.370 -14.722 1.00 0.00 O ATOM 1112 ND2 ASN A 75 0.560 -12.311 -14.757 1.00 0.00 N ATOM 0 H ASN A 75 0.257 -12.598 -10.675 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.055 -15.103 -12.117 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.014 -13.005 -12.918 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.061 -14.681 -13.426 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.030 -11.998 -15.528 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.243 -11.674 -14.347 1.00 0.00 H new ATOM 1119 N GLU A 76 2.464 -15.642 -11.158 1.00 0.00 N ATOM 1120 CA GLU A 76 3.480 -16.126 -10.238 1.00 0.00 C ATOM 1121 C GLU A 76 4.611 -15.103 -10.111 1.00 0.00 C ATOM 1122 O GLU A 76 5.289 -15.047 -9.086 1.00 0.00 O ATOM 1123 CB GLU A 76 4.019 -17.487 -10.683 1.00 0.00 C ATOM 1124 CG GLU A 76 2.879 -18.484 -10.901 1.00 0.00 C ATOM 1125 CD GLU A 76 3.406 -19.919 -10.946 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.153 -20.220 -11.901 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.050 -20.684 -10.023 1.00 0.00 O ATOM 0 H GLU A 76 2.460 -16.101 -12.069 1.00 0.00 H new ATOM 0 HA GLU A 76 3.022 -16.257 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.588 -17.373 -11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.706 -17.874 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.148 -18.387 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.363 -18.253 -11.833 1.00 0.00 H new ATOM 1134 N ASP A 77 4.779 -14.321 -11.167 1.00 0.00 N ATOM 1135 CA ASP A 77 5.817 -13.303 -11.186 1.00 0.00 C ATOM 1136 C ASP A 77 5.620 -12.358 -9.999 1.00 0.00 C ATOM 1137 O ASP A 77 6.590 -11.870 -9.422 1.00 0.00 O ATOM 1138 CB ASP A 77 5.749 -12.472 -12.468 1.00 0.00 C ATOM 1139 CG ASP A 77 6.133 -13.221 -13.746 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.033 -14.084 -13.649 1.00 0.00 O ATOM 1141 OD2 ASP A 77 5.519 -12.915 -14.790 1.00 0.00 O ATOM 0 H ASP A 77 4.215 -14.371 -12.015 1.00 0.00 H new ATOM 0 HA ASP A 77 6.783 -13.805 -11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.735 -12.088 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.406 -11.609 -12.359 1.00 0.00 H new ATOM 1146 N VAL A 78 4.357 -12.128 -9.669 1.00 0.00 N ATOM 1147 CA VAL A 78 4.020 -11.250 -8.562 1.00 0.00 C ATOM 1148 C VAL A 78 4.783 -11.697 -7.313 1.00 0.00 C ATOM 1149 O VAL A 78 4.768 -12.875 -6.960 1.00 0.00 O ATOM 1150 CB VAL A 78 2.504 -11.222 -8.358 1.00 0.00 C ATOM 1151 CG1 VAL A 78 2.135 -10.444 -7.094 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.797 -10.642 -9.585 1.00 0.00 C ATOM 0 H VAL A 78 3.555 -12.535 -10.150 1.00 0.00 H new ATOM 0 HA VAL A 78 4.323 -10.226 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 78 2.164 -12.250 -8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.052 -10.440 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.595 -10.919 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.495 -9.419 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.720 -10.633 -9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.145 -9.624 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.021 -11.255 -10.458 1.00 0.00 H new ATOM 1162 N THR A 79 5.432 -10.731 -6.678 1.00 0.00 N ATOM 1163 CA THR A 79 6.199 -11.010 -5.476 1.00 0.00 C ATOM 1164 C THR A 79 5.454 -10.505 -4.239 1.00 0.00 C ATOM 1165 O THR A 79 5.791 -10.872 -3.114 1.00 0.00 O ATOM 1166 CB THR A 79 7.587 -10.388 -5.646 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.337 -8.986 -5.681 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.201 -10.691 -7.014 1.00 0.00 C ATOM 0 H THR A 79 5.442 -9.755 -6.974 1.00 0.00 H new ATOM 0 HA THR A 79 6.324 -12.082 -5.326 1.00 0.00 H new ATOM 0 HB THR A 79 8.248 -10.757 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.408 -8.826 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.185 -10.227 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.299 -11.769 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.557 -10.293 -7.798 1.00 0.00 H new ATOM 1176 N HIS A 80 4.455 -9.671 -4.488 1.00 0.00 N ATOM 1177 CA HIS A 80 3.660 -9.112 -3.409 1.00 0.00 C ATOM 1178 C HIS A 80 2.284 -8.707 -3.942 1.00 0.00 C ATOM 1179 O HIS A 80 2.114 -8.507 -5.143 1.00 0.00 O ATOM 1180 CB HIS A 80 4.398 -7.956 -2.732 1.00 0.00 C ATOM 1181 CG HIS A 80 5.816 -8.284 -2.329 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.844 -8.418 -3.246 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.365 -8.502 -1.100 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.957 -8.706 -2.588 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.658 -8.757 -1.258 1.00 0.00 N ATOM 0 H HIS A 80 4.178 -9.369 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 80 3.505 -9.867 -2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.412 -7.102 -3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.841 -7.652 -1.846 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.759 -8.313 -4.257 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.837 -8.472 -0.158 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.930 -8.871 -3.027 1.00 0.00 H new ATOM 1193 N VAL A 81 1.337 -8.598 -3.021 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.018 -8.220 -3.384 1.00 0.00 C ATOM 1195 C VAL A 81 -0.565 -7.240 -2.343 1.00 0.00 C ATOM 1196 O VAL A 81 -0.922 -7.641 -1.236 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.886 -9.470 -3.542 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.369 -9.102 -3.624 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.455 -10.285 -4.763 1.00 0.00 C ATOM 0 H VAL A 81 1.482 -8.765 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.027 -7.711 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.744 -10.090 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.963 -10.009 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.666 -8.584 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.535 -8.451 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.088 -11.168 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.554 -9.675 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.584 -10.593 -4.646 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.614 -5.976 -2.735 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.112 -4.936 -1.850 1.00 0.00 C ATOM 1211 C ILE A 82 -2.635 -4.858 -1.968 1.00 0.00 C ATOM 1212 O ILE A 82 -3.161 -4.473 -3.012 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.404 -3.609 -2.131 1.00 0.00 C ATOM 1214 CG1 ILE A 82 1.110 -3.807 -2.238 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.772 -2.559 -1.081 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.817 -3.322 -0.971 1.00 0.00 C ATOM 0 H ILE A 82 -0.317 -5.648 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.885 -5.178 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.748 -3.235 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.332 -4.862 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.491 -3.263 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.256 -1.625 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.849 -2.391 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.474 -2.912 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.892 -3.474 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.613 -2.261 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.451 -3.885 -0.112 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.301 -5.229 -0.885 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.753 -5.205 -0.854 1.00 0.00 C ATOM 1230 C VAL A 83 -5.223 -3.966 -0.088 1.00 0.00 C ATOM 1231 O VAL A 83 -4.652 -3.617 0.945 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.286 -6.511 -0.262 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.814 -6.551 -0.306 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.685 -7.723 -0.978 1.00 0.00 C ATOM 0 H VAL A 83 -2.861 -5.548 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.155 -5.134 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.981 -6.553 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.166 -7.490 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.217 -5.717 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.150 -6.474 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.080 -8.639 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.946 -7.687 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.600 -7.708 -0.871 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.258 -3.336 -0.623 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.811 -2.144 -0.003 1.00 0.00 C ATOM 1246 C GLY A 84 -8.105 -2.466 0.746 1.00 0.00 C ATOM 1247 O GLY A 84 -8.302 -2.016 1.874 1.00 0.00 O ATOM 0 H GLY A 84 -6.729 -3.629 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.083 -1.718 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.006 -1.390 -0.766 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.955 -3.241 0.089 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.225 -3.628 0.678 1.00 0.00 C ATOM 1253 C ASP A 85 -10.336 -5.154 0.684 1.00 0.00 C ATOM 1254 O ASP A 85 -10.723 -5.748 1.689 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.399 -3.072 -0.129 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.919 -1.711 0.340 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -12.001 -1.529 1.574 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -12.223 -0.884 -0.547 1.00 0.00 O ATOM 0 H ASP A 85 -8.789 -3.612 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.262 -3.228 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.096 -2.988 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.218 -3.790 -0.092 1.00 0.00 H new ATOM 1263 N TYR A 86 -9.989 -5.745 -0.450 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.045 -7.190 -0.589 1.00 0.00 C ATOM 1265 C TYR A 86 -9.321 -7.648 -1.857 1.00 0.00 C ATOM 1266 O TYR A 86 -9.027 -6.838 -2.735 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.528 -7.545 -0.707 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.286 -6.718 -1.748 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.088 -6.952 -3.093 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.167 -5.736 -1.341 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.800 -6.174 -4.072 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.879 -4.957 -2.320 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.661 -5.214 -3.637 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.334 -4.479 -4.562 1.00 0.00 O ATOM 0 H TYR A 86 -9.668 -5.249 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.565 -7.676 0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.619 -8.601 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.002 -7.409 0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.398 -7.720 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.322 -5.552 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.654 -6.348 -5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.571 -4.186 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.914 -3.833 -4.107 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.053 -8.944 -1.911 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.368 -9.519 -3.057 1.00 0.00 C ATOM 1286 C ASP A 87 -9.141 -10.747 -3.543 1.00 0.00 C ATOM 1287 O ASP A 87 -9.020 -11.828 -2.969 1.00 0.00 O ATOM 1288 CB ASP A 87 -6.953 -9.967 -2.685 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.883 -11.122 -1.684 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.586 -11.025 -0.655 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.127 -12.076 -1.970 1.00 0.00 O ATOM 0 H ASP A 87 -9.297 -9.612 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.312 -8.757 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.431 -10.262 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.415 -9.114 -2.271 1.00 0.00 H new ATOM 1296 N ASP A 88 -9.917 -10.540 -4.596 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.709 -11.616 -5.166 1.00 0.00 C ATOM 1298 C ASP A 88 -9.924 -12.274 -6.303 1.00 0.00 C ATOM 1299 O ASP A 88 -9.719 -13.487 -6.299 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.023 -11.088 -5.744 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.116 -10.804 -4.711 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.745 -10.588 -3.537 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.297 -10.809 -5.119 1.00 0.00 O ATOM 0 H ASP A 88 -10.014 -9.642 -5.070 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.926 -12.331 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.817 -10.170 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.403 -11.813 -6.463 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.506 -11.445 -7.248 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.748 -11.932 -8.388 1.00 0.00 C ATOM 1310 C GLU A 89 -7.777 -13.030 -7.951 1.00 0.00 C ATOM 1311 O GLU A 89 -7.676 -14.070 -8.600 1.00 0.00 O ATOM 1312 CB GLU A 89 -8.006 -10.787 -9.081 1.00 0.00 C ATOM 1313 CG GLU A 89 -8.247 -10.813 -10.592 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.870 -9.474 -11.230 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.630 -8.506 -11.008 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -6.832 -9.448 -11.925 1.00 0.00 O ATOM 0 H GLU A 89 -9.678 -10.440 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.446 -12.359 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.339 -9.833 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.938 -10.865 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.661 -11.613 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.295 -11.033 -10.793 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.086 -12.761 -6.853 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.126 -13.714 -6.321 1.00 0.00 C ATOM 1325 C LEU A 90 -6.743 -15.114 -6.332 1.00 0.00 C ATOM 1326 O LEU A 90 -6.192 -16.034 -6.934 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.637 -13.268 -4.941 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.121 -13.159 -4.770 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.751 -11.947 -3.912 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.538 -14.458 -4.209 1.00 0.00 C ATOM 0 H LEU A 90 -7.172 -11.897 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.238 -13.752 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.079 -12.297 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.017 -13.970 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.677 -13.005 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.667 -11.893 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.115 -11.038 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.207 -12.046 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.459 -14.354 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.985 -14.668 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.754 -15.279 -4.893 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.879 -15.230 -5.659 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.577 -16.502 -5.584 1.00 0.00 C ATOM 1344 C LYS A 91 -8.511 -17.196 -6.946 1.00 0.00 C ATOM 1345 O LYS A 91 -8.254 -18.397 -7.022 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.002 -16.301 -5.064 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.997 -15.917 -3.583 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.418 -15.655 -3.080 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.436 -15.473 -1.561 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.739 -15.901 -1.003 1.00 0.00 N ATOM 0 H LYS A 91 -8.333 -14.464 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.091 -17.162 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.498 -15.522 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.576 -17.217 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.542 -16.716 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.386 -15.027 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.820 -14.763 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.065 -16.487 -3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.632 -16.054 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.253 -14.428 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.734 -15.771 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.500 -15.329 -1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.899 -16.904 -1.225 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.747 -16.411 -7.986 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.717 -16.936 -9.341 1.00 0.00 C ATOM 1366 C GLN A 92 -7.306 -17.408 -9.697 1.00 0.00 C ATOM 1367 O GLN A 92 -7.130 -18.500 -10.234 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.216 -15.893 -10.344 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.512 -15.241 -9.858 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.666 -15.535 -10.819 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -12.170 -14.665 -11.510 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.057 -16.807 -10.823 1.00 0.00 N ATOM 0 H GLN A 92 -8.960 -15.416 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.389 -17.793 -9.393 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.453 -15.129 -10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.383 -16.365 -11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.759 -15.611 -8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.371 -14.164 -9.771 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.592 -17.485 -10.220 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.822 -17.104 -11.430 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.337 -16.561 -9.383 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.947 -16.878 -9.663 1.00 0.00 C ATOM 1383 C PHE A 93 -4.489 -18.095 -8.858 1.00 0.00 C ATOM 1384 O PHE A 93 -3.566 -18.801 -9.262 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.117 -15.662 -9.244 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.629 -15.960 -9.052 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.894 -16.448 -10.087 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -2.042 -15.738 -7.845 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.513 -16.724 -9.908 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.660 -16.015 -7.667 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.075 -16.502 -8.702 1.00 0.00 C ATOM 0 H PHE A 93 -6.487 -15.656 -8.938 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.824 -17.109 -10.721 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.227 -14.883 -9.998 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.520 -15.263 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.361 -16.625 -11.045 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.626 -15.352 -7.023 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.071 -17.111 -10.730 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.193 -15.839 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.126 -16.712 -8.566 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.155 -18.304 -7.732 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.828 -19.424 -6.865 1.00 0.00 C ATOM 1403 C TRP A 94 -5.379 -20.697 -7.510 1.00 0.00 C ATOM 1404 O TRP A 94 -4.901 -21.796 -7.232 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.357 -19.194 -5.448 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.379 -18.458 -4.531 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.042 -18.418 -4.612 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.718 -17.652 -3.383 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.497 -17.648 -3.604 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.549 -17.168 -2.833 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.972 -17.342 -2.827 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.517 -16.345 -1.700 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.923 -16.519 -1.695 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.754 -16.024 -1.130 1.00 0.00 C ATOM 0 H TRP A 94 -5.920 -17.717 -7.400 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.748 -19.527 -6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.284 -18.624 -5.505 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.602 -20.158 -5.002 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.464 -18.924 -5.370 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.505 -17.465 -3.453 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.900 -17.710 -3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.588 -15.978 -1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.859 -16.250 -1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.800 -15.394 -0.254 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.379 -20.507 -8.359 1.00 0.00 N ATOM 1426 CA ASN A 95 -7.000 -21.627 -9.046 1.00 0.00 C ATOM 1427 C ASN A 95 -6.286 -21.863 -10.378 1.00 0.00 C ATOM 1428 O ASN A 95 -6.549 -22.852 -11.061 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.473 -21.341 -9.344 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.385 -22.299 -8.574 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.988 -22.937 -7.612 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.625 -22.365 -9.049 1.00 0.00 N ATOM 0 H ASN A 95 -6.774 -19.595 -8.587 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.925 -22.502 -8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.709 -20.312 -9.073 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.657 -21.439 -10.414 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.310 -22.977 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.892 -21.804 -9.858 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.395 -20.939 -10.707 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.641 -21.035 -11.945 1.00 0.00 C ATOM 1441 C LYS A 96 -3.250 -21.597 -11.648 1.00 0.00 C ATOM 1442 O LYS A 96 -2.958 -22.746 -11.977 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.617 -19.684 -12.664 1.00 0.00 C ATOM 1444 CG LYS A 96 -6.034 -19.222 -13.010 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.093 -18.651 -14.428 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.531 -18.302 -14.819 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.931 -19.043 -16.036 1.00 0.00 N ATOM 0 H LYS A 96 -5.179 -20.121 -10.138 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.125 -21.728 -12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.132 -18.940 -12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.024 -19.763 -13.575 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.725 -20.060 -12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.358 -18.465 -12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.469 -17.760 -14.491 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.686 -19.376 -15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.207 -18.546 -13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.616 -17.230 -14.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.909 -18.795 -16.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.297 -18.790 -16.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.869 -20.065 -15.856 1.00 0.00 H new ATOM 1461 N SER A 97 -2.428 -20.762 -11.029 1.00 0.00 N ATOM 1462 CA SER A 97 -1.075 -21.162 -10.683 1.00 0.00 C ATOM 1463 C SER A 97 -0.986 -21.468 -9.186 1.00 0.00 C ATOM 1464 O SER A 97 -1.806 -20.994 -8.402 1.00 0.00 O ATOM 1465 CB SER A 97 -0.066 -20.077 -11.064 1.00 0.00 C ATOM 1466 OG SER A 97 0.033 -19.913 -12.476 1.00 0.00 O ATOM 0 H SER A 97 -2.673 -19.810 -10.758 1.00 0.00 H new ATOM 0 HA SER A 97 -0.830 -22.062 -11.246 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.361 -19.132 -10.609 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.913 -20.334 -10.659 1.00 0.00 H new ATOM 0 HG SER A 97 0.559 -19.111 -12.676 1.00 0.00 H new ATOM 1472 N ALA A 98 0.018 -22.258 -8.835 1.00 0.00 N ATOM 1473 CA ALA A 98 0.225 -22.632 -7.447 1.00 0.00 C ATOM 1474 C ALA A 98 1.325 -21.755 -6.845 1.00 0.00 C ATOM 1475 O ALA A 98 2.511 -22.015 -7.046 1.00 0.00 O ATOM 1476 CB ALA A 98 0.558 -24.123 -7.364 1.00 0.00 C ATOM 0 H ALA A 98 0.697 -22.649 -9.488 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.683 -22.468 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.713 -24.404 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.267 -24.704 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.465 -24.325 -7.933 1.00 0.00 H new ATOM 1482 N HIS A 99 0.893 -20.734 -6.120 1.00 0.00 N ATOM 1483 CA HIS A 99 1.827 -19.817 -5.488 1.00 0.00 C ATOM 1484 C HIS A 99 1.110 -19.034 -4.386 1.00 0.00 C ATOM 1485 O HIS A 99 -0.089 -18.775 -4.483 1.00 0.00 O ATOM 1486 CB HIS A 99 2.486 -18.910 -6.528 1.00 0.00 C ATOM 1487 CG HIS A 99 3.350 -17.823 -5.936 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.513 -18.090 -5.233 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.211 -16.466 -5.949 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.040 -16.938 -4.845 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.232 -15.933 -5.290 1.00 0.00 N ATOM 0 H HIS A 99 -0.091 -20.521 -5.956 1.00 0.00 H new ATOM 0 HA HIS A 99 2.634 -20.380 -5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.095 -19.521 -7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.709 -18.450 -7.138 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.406 -15.918 -6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.950 -16.816 -4.276 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.387 -14.936 -5.141 1.00 0.00 H new ATOM 1499 N ARG A 100 1.874 -18.678 -3.364 1.00 0.00 N ATOM 1500 CA ARG A 100 1.327 -17.929 -2.246 1.00 0.00 C ATOM 1501 C ARG A 100 2.069 -16.601 -2.083 1.00 0.00 C ATOM 1502 O ARG A 100 3.078 -16.531 -1.383 1.00 0.00 O ATOM 1503 CB ARG A 100 1.432 -18.727 -0.945 1.00 0.00 C ATOM 1504 CG ARG A 100 0.272 -18.395 -0.003 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.950 -19.262 -0.313 1.00 0.00 C ATOM 1506 NE ARG A 100 -1.051 -20.364 0.670 1.00 0.00 N ATOM 1507 CZ ARG A 100 -1.982 -21.326 0.627 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -2.899 -21.328 -0.351 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -1.997 -22.287 1.561 1.00 0.00 N ATOM 0 H ARG A 100 2.868 -18.895 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 100 0.275 -17.738 -2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.431 -19.794 -1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.379 -18.505 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.581 -18.552 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.009 -17.342 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.854 -18.654 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.871 -19.669 -1.321 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.369 -20.393 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.888 -20.597 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.608 -22.061 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.299 -22.286 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.706 -23.019 1.528 1.00 0.00 H new ATOM 1523 N PRO A 101 1.526 -15.552 -2.758 1.00 0.00 N ATOM 1524 CA PRO A 101 2.126 -14.230 -2.695 1.00 0.00 C ATOM 1525 C PRO A 101 1.835 -13.560 -1.351 1.00 0.00 C ATOM 1526 O PRO A 101 0.967 -14.010 -0.604 1.00 0.00 O ATOM 1527 CB PRO A 101 1.538 -13.475 -3.875 1.00 0.00 C ATOM 1528 CG PRO A 101 0.289 -14.240 -4.280 1.00 0.00 C ATOM 1529 CD PRO A 101 0.332 -15.598 -3.597 1.00 0.00 C ATOM 0 HA PRO A 101 3.214 -14.258 -2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.295 -12.449 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.249 -13.424 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.606 -13.693 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.248 -14.358 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.564 -15.770 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.391 -16.406 -4.326 1.00 0.00 H new ATOM 1537 N HIS A 102 2.576 -12.495 -1.084 1.00 0.00 N ATOM 1538 CA HIS A 102 2.408 -11.758 0.157 1.00 0.00 C ATOM 1539 C HIS A 102 1.253 -10.766 0.012 1.00 0.00 C ATOM 1540 O HIS A 102 1.408 -9.711 -0.601 1.00 0.00 O ATOM 1541 CB HIS A 102 3.719 -11.085 0.571 1.00 0.00 C ATOM 1542 CG HIS A 102 4.924 -11.992 0.498 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.167 -11.782 -0.022 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 4.923 -13.283 0.998 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 6.887 -12.883 0.153 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.117 -13.815 0.784 1.00 0.00 N flip ATOM 0 H HIS A 102 3.295 -12.125 -1.706 1.00 0.00 H new ATOM 0 HA HIS A 102 2.151 -12.447 0.961 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.889 -10.219 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.618 -10.713 1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.090 -13.773 1.481 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.914 -13.019 -0.154 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.409 -14.757 1.045 1.00 0.00 H new ATOM 1554 N VAL A 103 0.119 -11.139 0.587 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.063 -10.295 0.530 1.00 0.00 C ATOM 1556 C VAL A 103 -1.087 -9.376 1.753 1.00 0.00 C ATOM 1557 O VAL A 103 -1.571 -9.763 2.816 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.318 -11.160 0.408 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.583 -10.300 0.450 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.276 -12.011 -0.863 1.00 0.00 C ATOM 0 H VAL A 103 -0.007 -12.015 1.095 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.036 -9.659 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.343 -11.836 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.461 -10.940 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.623 -9.758 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.567 -9.589 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.180 -12.617 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.214 -11.360 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.403 -12.664 -0.835 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.560 -8.176 1.562 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.515 -7.198 2.636 1.00 0.00 C ATOM 1572 C VAL A 104 -1.282 -5.944 2.211 1.00 0.00 C ATOM 1573 O VAL A 104 -1.732 -5.844 1.071 1.00 0.00 O ATOM 1574 CB VAL A 104 0.938 -6.909 3.020 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.615 -8.158 3.586 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.720 -6.354 1.828 1.00 0.00 C ATOM 0 H VAL A 104 -0.160 -7.858 0.679 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.002 -7.589 3.529 1.00 0.00 H new ATOM 0 HB VAL A 104 0.933 -6.148 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.646 -7.925 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.079 -8.491 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.603 -8.950 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.749 -6.157 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.711 -7.082 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.257 -5.427 1.489 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.408 -5.019 3.151 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.113 -3.776 2.889 1.00 0.00 C ATOM 1588 C GLY A 105 -1.130 -2.630 2.643 1.00 0.00 C ATOM 1589 O GLY A 105 -0.026 -2.626 3.186 1.00 0.00 O ATOM 0 H GLY A 105 -1.033 -5.106 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.761 -3.897 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.756 -3.533 3.735 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.567 -1.684 1.824 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.739 -0.535 1.500 1.00 0.00 C ATOM 1595 C ALA A 106 -0.034 -0.046 2.767 1.00 0.00 C ATOM 1596 O ALA A 106 1.123 0.370 2.716 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.603 0.552 0.858 1.00 0.00 C ATOM 0 H ALA A 106 -2.483 -1.690 1.376 1.00 0.00 H new ATOM 0 HA ALA A 106 0.031 -0.808 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.982 1.414 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.058 0.164 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.385 0.853 1.554 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.760 -0.112 3.873 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.218 0.319 5.150 1.00 0.00 C ATOM 1605 C LYS A 107 1.253 -0.092 5.240 1.00 0.00 C ATOM 1606 O LYS A 107 2.087 0.676 5.717 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.076 -0.210 6.302 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.559 0.299 7.649 1.00 0.00 C ATOM 1609 CD LYS A 107 -1.699 0.874 8.492 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.157 1.603 9.723 1.00 0.00 C ATOM 1611 NZ LYS A 107 -1.437 0.827 10.951 1.00 0.00 N ATOM 0 H LYS A 107 -1.719 -0.457 3.911 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.251 1.406 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.111 0.104 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.070 -1.300 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.078 -0.516 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.199 1.065 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.291 1.562 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.366 0.070 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.083 1.755 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.613 2.590 9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.062 1.336 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.464 0.704 11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.982 -0.106 10.884 1.00 0.00 H new ATOM 1625 N TRP A 108 1.526 -1.302 4.775 1.00 0.00 N ATOM 1626 CA TRP A 108 2.881 -1.824 4.797 1.00 0.00 C ATOM 1627 C TRP A 108 3.744 -0.937 3.897 1.00 0.00 C ATOM 1628 O TRP A 108 4.608 -0.209 4.382 1.00 0.00 O ATOM 1629 CB TRP A 108 2.908 -3.298 4.387 1.00 0.00 C ATOM 1630 CG TRP A 108 4.305 -3.826 4.054 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.250 -4.252 4.903 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.879 -3.968 2.737 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.387 -4.656 4.233 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.154 -4.478 2.874 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.338 -3.675 1.473 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.995 -4.740 1.786 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.192 -3.943 0.396 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.478 -4.456 0.517 1.00 0.00 C ATOM 0 H TRP A 108 0.831 -1.936 4.381 1.00 0.00 H new ATOM 0 HA TRP A 108 3.289 -1.796 5.808 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.487 -3.897 5.195 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.263 -3.435 3.519 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.136 -4.276 5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.241 -5.018 4.657 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.343 -3.275 1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.989 -5.140 1.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.825 -3.736 -0.599 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.076 -4.635 -0.365 1.00 0.00 H new ATOM 1649 N LEU A 109 3.480 -1.029 2.602 1.00 0.00 N ATOM 1650 CA LEU A 109 4.221 -0.244 1.629 1.00 0.00 C ATOM 1651 C LEU A 109 4.419 1.174 2.169 1.00 0.00 C ATOM 1652 O LEU A 109 5.529 1.703 2.141 1.00 0.00 O ATOM 1653 CB LEU A 109 3.531 -0.292 0.264 1.00 0.00 C ATOM 1654 CG LEU A 109 4.375 0.160 -0.930 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.651 -0.675 -1.047 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.554 0.137 -2.221 1.00 0.00 C ATOM 0 H LEU A 109 2.763 -1.635 2.204 1.00 0.00 H new ATOM 0 HA LEU A 109 5.213 -0.668 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.199 -1.314 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.637 0.331 0.309 1.00 0.00 H new ATOM 0 HG LEU A 109 4.681 1.192 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.232 -0.333 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.243 -0.564 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.388 -1.724 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.177 0.462 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.198 -0.876 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.701 0.808 -2.122 1.00 0.00 H new ATOM 1668 N LEU A 110 3.326 1.749 2.647 1.00 0.00 N ATOM 1669 CA LEU A 110 3.365 3.095 3.192 1.00 0.00 C ATOM 1670 C LEU A 110 4.531 3.208 4.176 1.00 0.00 C ATOM 1671 O LEU A 110 5.466 3.976 3.951 1.00 0.00 O ATOM 1672 CB LEU A 110 2.011 3.467 3.799 1.00 0.00 C ATOM 1673 CG LEU A 110 0.827 3.495 2.830 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.426 4.048 3.511 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.177 4.269 1.558 1.00 0.00 C ATOM 0 H LEU A 110 2.407 1.307 2.668 1.00 0.00 H new ATOM 0 HA LEU A 110 3.544 3.822 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.786 2.759 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.100 4.450 4.261 1.00 0.00 H new ATOM 0 HG LEU A 110 0.606 2.470 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.252 4.057 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.686 3.418 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.234 5.064 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.318 4.273 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.440 5.295 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.022 3.791 1.062 1.00 0.00 H new ATOM 1687 N GLU A 111 4.439 2.432 5.246 1.00 0.00 N ATOM 1688 CA GLU A 111 5.475 2.435 6.265 1.00 0.00 C ATOM 1689 C GLU A 111 6.850 2.239 5.624 1.00 0.00 C ATOM 1690 O GLU A 111 7.805 2.935 5.969 1.00 0.00 O ATOM 1691 CB GLU A 111 5.206 1.364 7.324 1.00 0.00 C ATOM 1692 CG GLU A 111 3.769 1.453 7.841 1.00 0.00 C ATOM 1693 CD GLU A 111 3.742 1.828 9.324 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.144 2.972 9.628 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.322 0.961 10.121 1.00 0.00 O ATOM 0 H GLU A 111 3.663 1.797 5.429 1.00 0.00 H new ATOM 0 HA GLU A 111 5.463 3.404 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.383 0.376 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.903 1.485 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.217 2.195 7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.266 0.497 7.695 1.00 0.00 H new ATOM 1702 N CYS A 112 6.909 1.289 4.702 1.00 0.00 N ATOM 1703 CA CYS A 112 8.151 0.993 4.010 1.00 0.00 C ATOM 1704 C CYS A 112 8.721 2.304 3.464 1.00 0.00 C ATOM 1705 O CYS A 112 9.834 2.695 3.813 1.00 0.00 O ATOM 1706 CB CYS A 112 7.950 -0.046 2.905 1.00 0.00 C ATOM 1707 SG CYS A 112 7.402 -1.634 3.632 1.00 0.00 S ATOM 0 H CYS A 112 6.116 0.714 4.418 1.00 0.00 H new ATOM 0 HA CYS A 112 8.862 0.551 4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.209 0.311 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.881 -0.190 2.356 1.00 0.00 H new ATOM 0 HG CYS A 112 7.122 -2.474 2.680 1.00 0.00 H new ATOM 1713 N PHE A 113 7.932 2.947 2.615 1.00 0.00 N ATOM 1714 CA PHE A 113 8.344 4.205 2.017 1.00 0.00 C ATOM 1715 C PHE A 113 8.522 5.287 3.084 1.00 0.00 C ATOM 1716 O PHE A 113 9.000 6.381 2.790 1.00 0.00 O ATOM 1717 CB PHE A 113 7.230 4.630 1.058 1.00 0.00 C ATOM 1718 CG PHE A 113 7.321 3.987 -0.327 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.353 4.300 -1.155 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.371 3.101 -0.729 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.439 3.702 -2.441 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.456 2.504 -2.015 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.488 2.817 -2.843 1.00 0.00 C ATOM 0 H PHE A 113 7.010 2.620 2.327 1.00 0.00 H new ATOM 0 HA PHE A 113 9.297 4.078 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.267 4.377 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.255 5.714 0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.108 5.003 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.552 2.851 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.259 3.950 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.701 1.801 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.553 2.362 -3.821 1.00 0.00 H new ATOM 1733 N SER A 114 8.129 4.943 4.302 1.00 0.00 N ATOM 1734 CA SER A 114 8.240 5.871 5.414 1.00 0.00 C ATOM 1735 C SER A 114 9.601 5.712 6.094 1.00 0.00 C ATOM 1736 O SER A 114 10.237 6.701 6.456 1.00 0.00 O ATOM 1737 CB SER A 114 7.112 5.655 6.426 1.00 0.00 C ATOM 1738 OG SER A 114 6.199 6.748 6.449 1.00 0.00 O ATOM 0 H SER A 114 7.733 4.034 4.543 1.00 0.00 H new ATOM 0 HA SER A 114 8.152 6.885 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.575 4.739 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.538 5.518 7.420 1.00 0.00 H new ATOM 0 HG SER A 114 5.493 6.571 7.106 1.00 0.00 H new ATOM 1744 N LYS A 115 10.007 4.461 6.249 1.00 0.00 N ATOM 1745 CA LYS A 115 11.281 4.160 6.879 1.00 0.00 C ATOM 1746 C LYS A 115 12.385 4.168 5.819 1.00 0.00 C ATOM 1747 O LYS A 115 13.551 4.398 6.134 1.00 0.00 O ATOM 1748 CB LYS A 115 11.194 2.851 7.666 1.00 0.00 C ATOM 1749 CG LYS A 115 10.187 2.966 8.813 1.00 0.00 C ATOM 1750 CD LYS A 115 8.794 2.518 8.366 1.00 0.00 C ATOM 1751 CE LYS A 115 8.070 1.777 9.492 1.00 0.00 C ATOM 1752 NZ LYS A 115 7.097 2.672 10.158 1.00 0.00 N ATOM 0 H LYS A 115 9.476 3.643 5.949 1.00 0.00 H new ATOM 0 HA LYS A 115 11.535 4.928 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.900 2.041 6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.176 2.596 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.517 2.356 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.146 3.997 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.209 3.386 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.879 1.869 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.555 0.905 9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.794 1.411 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.531 2.125 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.607 3.427 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.468 3.093 9.445 1.00 0.00 H new ATOM 1766 N GLY A 116 11.977 3.913 4.585 1.00 0.00 N ATOM 1767 CA GLY A 116 12.916 3.888 3.476 1.00 0.00 C ATOM 1768 C GLY A 116 13.342 2.455 3.151 1.00 0.00 C ATOM 1769 O GLY A 116 13.946 2.204 2.109 1.00 0.00 O ATOM 0 H GLY A 116 11.009 3.722 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.459 4.344 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.794 4.485 3.724 1.00 0.00 H new ATOM 1773 N TYR A 117 13.010 1.552 4.062 1.00 0.00 N ATOM 1774 CA TYR A 117 13.351 0.150 3.885 1.00 0.00 C ATOM 1775 C TYR A 117 12.127 -0.743 4.098 1.00 0.00 C ATOM 1776 O TYR A 117 11.270 -0.440 4.928 1.00 0.00 O ATOM 1777 CB TYR A 117 14.394 -0.169 4.958 1.00 0.00 C ATOM 1778 CG TYR A 117 13.795 -0.543 6.315 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.181 0.422 7.088 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.870 -1.845 6.767 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.618 0.070 8.366 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.306 -2.197 8.045 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.708 -1.222 8.781 1.00 0.00 C ATOM 1784 OH TYR A 117 12.177 -1.554 9.988 1.00 0.00 O ATOM 0 H TYR A 117 12.509 1.764 4.925 1.00 0.00 H new ATOM 0 HA TYR A 117 13.721 -0.031 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 117 15.020 -0.991 4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.045 0.696 5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.123 1.441 6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.351 -2.600 6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.135 0.815 8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.357 -3.212 8.410 1.00 0.00 H new ATOM 0 HH TYR A 117 12.314 -2.510 10.154 1.00 0.00 H new ATOM 1794 N MET A 118 12.084 -1.825 3.336 1.00 0.00 N ATOM 1795 CA MET A 118 10.979 -2.764 3.431 1.00 0.00 C ATOM 1796 C MET A 118 10.882 -3.356 4.839 1.00 0.00 C ATOM 1797 O MET A 118 11.900 -3.596 5.487 1.00 0.00 O ATOM 1798 CB MET A 118 11.178 -3.891 2.416 1.00 0.00 C ATOM 1799 CG MET A 118 10.990 -3.381 0.986 1.00 0.00 C ATOM 1800 SD MET A 118 11.534 -4.618 -0.180 1.00 0.00 S ATOM 1801 CE MET A 118 10.030 -5.563 -0.354 1.00 0.00 C ATOM 0 H MET A 118 12.797 -2.073 2.650 1.00 0.00 H new ATOM 0 HA MET A 118 10.053 -2.230 3.217 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.177 -4.313 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.469 -4.694 2.616 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.941 -3.141 0.812 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.555 -2.460 0.842 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.194 -6.383 -1.053 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.739 -5.966 0.616 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.236 -4.918 -0.731 1.00 0.00 H new ATOM 1811 N LEU A 119 9.649 -3.574 5.271 1.00 0.00 N ATOM 1812 CA LEU A 119 9.406 -4.133 6.590 1.00 0.00 C ATOM 1813 C LEU A 119 8.708 -5.487 6.445 1.00 0.00 C ATOM 1814 O LEU A 119 8.389 -5.909 5.334 1.00 0.00 O ATOM 1815 CB LEU A 119 8.640 -3.136 7.462 1.00 0.00 C ATOM 1816 CG LEU A 119 8.861 -1.657 7.141 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.600 -0.839 7.429 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.080 -1.110 7.885 1.00 0.00 C ATOM 0 H LEU A 119 8.807 -3.374 4.731 1.00 0.00 H new ATOM 0 HA LEU A 119 10.349 -4.314 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.575 -3.351 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.916 -3.307 8.503 1.00 0.00 H new ATOM 0 HG LEU A 119 9.068 -1.567 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.784 0.209 7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.778 -1.210 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.339 -0.932 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.214 -0.057 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.928 -1.215 8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.968 -1.668 7.588 1.00 0.00 H new ATOM 1830 N SER A 120 8.491 -6.130 7.583 1.00 0.00 N ATOM 1831 CA SER A 120 7.836 -7.427 7.596 1.00 0.00 C ATOM 1832 C SER A 120 6.401 -7.294 7.082 1.00 0.00 C ATOM 1833 O SER A 120 5.755 -6.269 7.293 1.00 0.00 O ATOM 1834 CB SER A 120 7.843 -8.033 9.001 1.00 0.00 C ATOM 1835 OG SER A 120 9.160 -8.117 9.539 1.00 0.00 O ATOM 0 H SER A 120 8.757 -5.777 8.502 1.00 0.00 H new ATOM 0 HA SER A 120 8.390 -8.097 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.220 -7.428 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.400 -9.028 8.969 1.00 0.00 H new ATOM 0 HG SER A 120 9.122 -8.507 10.437 1.00 0.00 H new ATOM 1841 N GLU A 121 5.945 -8.346 6.418 1.00 0.00 N ATOM 1842 CA GLU A 121 4.598 -8.360 5.873 1.00 0.00 C ATOM 1843 C GLU A 121 3.639 -9.050 6.845 1.00 0.00 C ATOM 1844 O GLU A 121 2.425 -8.865 6.761 1.00 0.00 O ATOM 1845 CB GLU A 121 4.569 -9.036 4.501 1.00 0.00 C ATOM 1846 CG GLU A 121 4.961 -8.052 3.396 1.00 0.00 C ATOM 1847 CD GLU A 121 4.856 -8.707 2.017 1.00 0.00 C ATOM 1848 OE1 GLU A 121 5.647 -9.643 1.771 1.00 0.00 O ATOM 1849 OE2 GLU A 121 3.986 -8.256 1.240 1.00 0.00 O ATOM 0 H GLU A 121 6.484 -9.194 6.245 1.00 0.00 H new ATOM 0 HA GLU A 121 4.270 -7.329 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.252 -9.885 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.571 -9.428 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.313 -7.176 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.980 -7.702 3.560 1.00 0.00 H new ATOM 1856 N GLU A 122 4.219 -9.831 7.744 1.00 0.00 N ATOM 1857 CA GLU A 122 3.431 -10.549 8.731 1.00 0.00 C ATOM 1858 C GLU A 122 2.558 -9.575 9.525 1.00 0.00 C ATOM 1859 O GLU A 122 1.380 -9.841 9.759 1.00 0.00 O ATOM 1860 CB GLU A 122 4.330 -11.364 9.663 1.00 0.00 C ATOM 1861 CG GLU A 122 4.679 -12.718 9.042 1.00 0.00 C ATOM 1862 CD GLU A 122 5.254 -13.671 10.092 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.418 -13.445 10.486 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.516 -14.604 10.477 1.00 0.00 O ATOM 0 H GLU A 122 5.226 -9.982 7.810 1.00 0.00 H new ATOM 0 HA GLU A 122 2.778 -11.247 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.245 -10.808 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.827 -11.517 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.787 -13.158 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.402 -12.578 8.238 1.00 0.00 H new ATOM 1871 N PRO A 123 3.186 -8.438 9.928 1.00 0.00 N ATOM 1872 CA PRO A 123 2.479 -7.423 10.691 1.00 0.00 C ATOM 1873 C PRO A 123 1.532 -6.623 9.794 1.00 0.00 C ATOM 1874 O PRO A 123 0.888 -5.680 10.250 1.00 0.00 O ATOM 1875 CB PRO A 123 3.571 -6.568 11.313 1.00 0.00 C ATOM 1876 CG PRO A 123 4.830 -6.847 10.508 1.00 0.00 C ATOM 1877 CD PRO A 123 4.580 -8.090 9.669 1.00 0.00 C ATOM 0 HA PRO A 123 1.836 -7.848 11.462 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.309 -5.511 11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.715 -6.822 12.363 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.071 -5.997 9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.682 -6.999 11.171 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.749 -7.894 8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.250 -8.901 9.954 1.00 0.00 H new ATOM 1885 N TYR A 124 1.478 -7.030 8.534 1.00 0.00 N ATOM 1886 CA TYR A 124 0.620 -6.363 7.569 1.00 0.00 C ATOM 1887 C TYR A 124 -0.020 -7.373 6.614 1.00 0.00 C ATOM 1888 O TYR A 124 -0.056 -7.153 5.405 1.00 0.00 O ATOM 1889 CB TYR A 124 1.532 -5.430 6.769 1.00 0.00 C ATOM 1890 CG TYR A 124 2.190 -4.333 7.608 1.00 0.00 C ATOM 1891 CD1 TYR A 124 3.410 -4.563 8.210 1.00 0.00 C ATOM 1892 CD2 TYR A 124 1.564 -3.113 7.762 1.00 0.00 C ATOM 1893 CE1 TYR A 124 4.029 -3.531 9.000 1.00 0.00 C ATOM 1894 CE2 TYR A 124 2.183 -2.080 8.551 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.386 -2.340 9.131 1.00 0.00 C ATOM 1896 OH TYR A 124 3.971 -1.365 9.877 1.00 0.00 O ATOM 0 H TYR A 124 2.014 -7.813 8.159 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.185 -5.829 8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.311 -6.023 6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.950 -4.965 5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 124 3.901 -5.517 8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 124 0.609 -2.933 7.290 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.983 -3.699 9.478 1.00 0.00 H new ATOM 0 HE2 TYR A 124 1.704 -1.121 8.680 1.00 0.00 H new ATOM 0 HH TYR A 124 3.384 -0.581 9.909 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.510 -8.458 7.195 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.147 -9.503 6.411 1.00 0.00 C ATOM 1908 C ILE A 125 -2.634 -9.179 6.250 1.00 0.00 C ATOM 1909 O ILE A 125 -3.235 -8.555 7.123 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.881 -10.876 7.031 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.620 -11.164 7.102 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.640 -11.973 6.281 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.210 -11.349 5.702 1.00 0.00 C ATOM 0 H ILE A 125 -0.479 -8.636 8.199 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.718 -9.543 5.410 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.256 -10.867 8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.128 -10.343 7.609 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.794 -12.062 7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.433 -12.939 6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.710 -11.771 6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.318 -11.992 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.278 -11.552 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.717 -12.186 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.056 -10.441 5.119 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.184 -9.617 5.127 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.589 -9.381 4.841 1.00 0.00 C ATOM 1927 C HIS A 126 -5.351 -10.707 4.885 1.00 0.00 C ATOM 1928 O HIS A 126 -5.212 -11.538 3.989 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.756 -8.646 3.510 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.094 -7.964 3.348 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -7.291 -8.574 3.679 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -6.410 -6.719 2.890 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -8.277 -7.726 3.426 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -7.729 -6.577 2.936 1.00 0.00 N ATOM 0 H HIS A 126 -2.682 -10.134 4.405 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.015 -8.731 5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.966 -7.901 3.417 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.621 -9.357 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -5.706 -5.975 2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.330 -7.912 3.581 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.247 -5.746 2.652 1.00 0.00 H new ATOM 1942 N SER A 127 -6.141 -10.864 5.938 1.00 0.00 N ATOM 1943 CA SER A 127 -6.925 -12.075 6.111 1.00 0.00 C ATOM 1944 C SER A 127 -8.417 -11.749 6.022 1.00 0.00 C ATOM 1945 O SER A 127 -8.836 -10.644 6.366 1.00 0.00 O ATOM 1946 CB SER A 127 -6.608 -12.750 7.447 1.00 0.00 C ATOM 1947 OG SER A 127 -5.284 -13.276 7.478 1.00 0.00 O ATOM 0 H SER A 127 -6.255 -10.173 6.679 1.00 0.00 H new ATOM 0 HA SER A 127 -6.663 -12.769 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.731 -12.029 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.322 -13.554 7.625 1.00 0.00 H new ATOM 0 HG SER A 127 -5.120 -13.697 8.348 1.00 0.00 H new ATOM 1953 N GLY A 128 -9.178 -12.729 5.559 1.00 0.00 N ATOM 1954 CA GLY A 128 -10.615 -12.560 5.421 1.00 0.00 C ATOM 1955 C GLY A 128 -11.339 -12.943 6.713 1.00 0.00 C ATOM 1956 O GLY A 128 -10.719 -13.039 7.772 1.00 0.00 O ATOM 0 H GLY A 128 -8.827 -13.643 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.840 -11.524 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.980 -13.176 4.599 1.00 0.00 H new ATOM 1960 N PRO A 129 -12.675 -13.158 6.582 1.00 0.00 N ATOM 1961 CA PRO A 129 -13.490 -13.528 7.726 1.00 0.00 C ATOM 1962 C PRO A 129 -13.259 -14.990 8.114 1.00 0.00 C ATOM 1963 O PRO A 129 -12.552 -15.717 7.417 1.00 0.00 O ATOM 1964 CB PRO A 129 -14.921 -13.247 7.297 1.00 0.00 C ATOM 1965 CG PRO A 129 -14.895 -13.172 5.779 1.00 0.00 C ATOM 1966 CD PRO A 129 -13.443 -13.054 5.344 1.00 0.00 C ATOM 0 HA PRO A 129 -13.238 -12.961 8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -15.593 -14.035 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -15.281 -12.313 7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -15.353 -14.061 5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -15.469 -12.314 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -13.174 -13.845 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -13.256 -12.105 4.841 1.00 0.00 H new ATOM 1974 N SER A 130 -13.868 -15.378 9.225 1.00 0.00 N ATOM 1975 CA SER A 130 -13.737 -16.740 9.714 1.00 0.00 C ATOM 1976 C SER A 130 -12.319 -16.973 10.240 1.00 0.00 C ATOM 1977 O SER A 130 -11.381 -16.295 9.826 1.00 0.00 O ATOM 1978 CB SER A 130 -14.069 -17.753 8.617 1.00 0.00 C ATOM 1979 OG SER A 130 -14.721 -18.909 9.137 1.00 0.00 O ATOM 0 H SER A 130 -14.454 -14.773 9.801 1.00 0.00 H new ATOM 0 HA SER A 130 -14.448 -16.881 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 130 -14.708 -17.282 7.870 1.00 0.00 H new ATOM 0 HB3 SER A 130 -13.152 -18.052 8.110 1.00 0.00 H new ATOM 0 HG SER A 130 -14.918 -19.531 8.405 1.00 0.00 H new ATOM 1985 N SER A 131 -12.209 -17.935 11.145 1.00 0.00 N ATOM 1986 CA SER A 131 -10.922 -18.266 11.732 1.00 0.00 C ATOM 1987 C SER A 131 -10.778 -19.784 11.856 1.00 0.00 C ATOM 1988 O SER A 131 -11.542 -20.426 12.575 1.00 0.00 O ATOM 1989 CB SER A 131 -10.754 -17.603 13.100 1.00 0.00 C ATOM 1990 OG SER A 131 -11.403 -18.339 14.133 1.00 0.00 O ATOM 0 H SER A 131 -12.990 -18.495 11.486 1.00 0.00 H new ATOM 0 HA SER A 131 -10.139 -17.886 11.076 1.00 0.00 H new ATOM 0 HB2 SER A 131 -9.693 -17.513 13.331 1.00 0.00 H new ATOM 0 HB3 SER A 131 -11.160 -16.592 13.065 1.00 0.00 H new ATOM 0 HG SER A 131 -11.879 -19.102 13.742 1.00 0.00 H new ATOM 1996 N GLY A 132 -9.794 -20.314 11.145 1.00 0.00 N ATOM 1997 CA GLY A 132 -9.541 -21.744 11.167 1.00 0.00 C ATOM 1998 C GLY A 132 -10.348 -22.461 10.083 1.00 0.00 C ATOM 1999 O GLY A 132 -10.113 -22.259 8.893 1.00 0.00 O ATOM 0 H GLY A 132 -9.162 -19.778 10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.478 -21.931 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -9.801 -22.148 12.146 1.00 0.00 H new TER 2003 GLY A 132