USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1045 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 49 CYS SG : rot 180:sc= -0.965 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 137:sc= -8.34! (180deg=-1.54!) USER MOD Set 1.3: A 107 GLN : amide:sc= -8.44! C(o=-18!,f=-9.7!) USER MOD Set 2.1: A 94 ASN : amide:sc= -1.97! C(o=-5.1!,f=-7.3!) USER MOD Set 2.2: A 102 CYS SG : rot 46:sc= -3.16! USER MOD Set 3.1: A 99 THR OG1 : rot 123:sc= 0.0753 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.0716 USER MOD Set 4.1: A 87 THR OG1 : rot -100:sc= -1.07! USER MOD Set 4.2: A 109 LYS NZ :NH3+ 151:sc= -1.89! (180deg=-3.63!) USER MOD Set 5.1: A 57 SER OG : rot -130:sc= 0.218 USER MOD Set 5.2: A 60 LYS NZ :NH3+ -173:sc= -2.89 (180deg=-3.37!) USER MOD Set 6.1: A 42 ASN : amide:sc= -3.72! C(o=-14!,f=-17!) USER MOD Set 6.2: A 82 ASN : amide:sc= -10! C(o=-14!,f=-7.1!) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= -3.14! USER MOD Set 7.2: A 19 ASN : amide:sc= -3.19! C(o=-6.3!,f=-2.2!) USER MOD Single : A 6 SER OG : rot -40:sc= 0.0494 USER MOD Single : A 7 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.82) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.217 (180deg=-1.14) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.35! C(o=-3.3!,f=-4.1!) USER MOD Single : A 23 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-7.4!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 48 SER OG : rot -34:sc= 0.95 USER MOD Single : A 52 TYR OH : rot 6:sc= 0.418 USER MOD Single : A 54 LYS NZ :NH3+ 132:sc= -1.09 (180deg=-1.75) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.289 USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= -1.94 (180deg=-4.16!) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0643 (180deg=-0.547) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.162 (180deg=-0.924) USER MOD Single : A 69 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.57 K(o=-0.57,f=-2.4!) USER MOD Single : A 74 SER OG : rot -99:sc= 0.523 USER MOD Single : A 76 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0.677 (180deg=0.662) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00808 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 71:sc= 0.353 USER MOD Single : A 92 SER OG : rot -49:sc= 0.488 USER MOD Single : A 95 MET CE :methyl -155:sc= -0.735 (180deg=-2.22) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.0935 K(o=-0.093,f=-1.9!) USER MOD Single : A 114 MET CE :methyl 149:sc= -2.53 (180deg=-7.56!) USER MOD Single : A 116 LYS NZ :NH3+ -160:sc= -0.0777 (180deg=-0.615) USER MOD Single : A 118 SER OG : rot -35:sc= -1.18 USER MOD Single : A 119 TYR OH : rot -146:sc= -3.28! USER MOD Single : A 124 LYS NZ :NH3+ -113:sc= -1.64 (180deg=-4.04!) USER MOD Single : A 125 SER OG : rot 14:sc= -0.533 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -150:sc= -2.35 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -11.858 0.815 -12.420 1.00 15.43 N ATOM 18 CA SER A 6 -13.319 1.017 -12.225 1.00 14.66 C ATOM 19 C SER A 6 -13.545 1.722 -10.888 1.00 13.40 C ATOM 20 O SER A 6 -12.705 1.693 -10.011 1.00 12.58 O ATOM 21 CB SER A 6 -14.027 -0.337 -12.217 1.00 15.49 C ATOM 22 OG SER A 6 -13.586 -1.090 -11.096 1.00 15.97 O ATOM 0 HA SER A 6 -13.721 1.624 -13.036 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.107 -0.196 -12.173 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.814 -0.877 -13.139 1.00 15.49 H new ATOM 0 HG SER A 6 -12.622 -0.961 -10.974 1.00 15.97 H new ATOM 28 N GLN A 7 -14.669 2.358 -10.724 1.00 13.37 N ATOM 29 CA GLN A 7 -14.941 3.063 -9.442 1.00 12.23 C ATOM 30 C GLN A 7 -15.258 2.036 -8.360 1.00 11.36 C ATOM 31 O GLN A 7 -15.249 2.326 -7.183 1.00 10.97 O ATOM 32 CB GLN A 7 -16.124 4.017 -9.622 1.00 13.19 C ATOM 33 CG GLN A 7 -15.703 5.178 -10.526 1.00 13.36 C ATOM 34 CD GLN A 7 -14.668 6.040 -9.802 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.996 6.760 -8.881 1.00 13.82 O ATOM 36 NE2 GLN A 7 -13.416 5.983 -10.173 1.00 13.77 N ATOM 0 H GLN A 7 -15.411 2.421 -11.421 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.064 3.639 -9.146 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.970 3.487 -10.061 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.452 4.395 -8.654 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.285 4.795 -11.457 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -16.572 5.780 -10.791 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -13.140 5.378 -10.947 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -12.715 6.543 -9.689 1.00 13.77 H new ATOM 45 N GLU A 8 -15.543 0.835 -8.748 1.00 13.01 N ATOM 46 CA GLU A 8 -15.850 -0.206 -7.738 1.00 12.24 C ATOM 47 C GLU A 8 -14.570 -0.552 -6.969 1.00 11.73 C ATOM 48 O GLU A 8 -14.600 -0.811 -5.785 1.00 11.71 O ATOM 49 CB GLU A 8 -16.385 -1.448 -8.448 1.00 13.27 C ATOM 50 CG GLU A 8 -17.736 -1.115 -9.084 1.00 13.55 C ATOM 51 CD GLU A 8 -18.173 -2.261 -9.998 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.485 -3.267 -10.025 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.188 -2.110 -10.656 1.00 14.92 O ATOM 0 H GLU A 8 -15.577 0.526 -9.719 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.601 0.160 -7.038 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.681 -1.778 -9.212 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.495 -2.269 -7.739 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.483 -0.951 -8.308 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.661 -0.190 -9.655 1.00 13.55 H new ATOM 60 N GLU A 9 -13.451 -0.584 -7.650 1.00 11.46 N ATOM 61 CA GLU A 9 -12.157 -0.945 -6.987 1.00 11.12 C ATOM 62 C GLU A 9 -11.608 0.196 -6.116 1.00 10.28 C ATOM 63 O GLU A 9 -11.102 -0.038 -5.036 1.00 10.32 O ATOM 64 CB GLU A 9 -11.115 -1.255 -8.070 1.00 12.40 C ATOM 65 CG GLU A 9 -11.473 -2.551 -8.797 1.00 13.24 C ATOM 66 CD GLU A 9 -11.331 -3.739 -7.845 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.689 -3.578 -6.820 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.870 -4.787 -8.155 1.00 14.68 O ATOM 0 H GLU A 9 -13.377 -0.374 -8.645 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.347 -1.806 -6.346 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.066 -0.432 -8.783 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.127 -1.345 -7.618 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.494 -2.496 -9.174 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.821 -2.686 -9.660 1.00 13.24 H new ATOM 75 N VAL A 10 -11.660 1.418 -6.576 1.00 9.75 N ATOM 76 CA VAL A 10 -11.093 2.534 -5.759 1.00 9.10 C ATOM 77 C VAL A 10 -11.813 2.618 -4.409 1.00 7.91 C ATOM 78 O VAL A 10 -11.201 2.862 -3.388 1.00 7.70 O ATOM 79 CB VAL A 10 -11.231 3.862 -6.516 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.652 3.703 -7.927 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.713 4.264 -6.604 1.00 11.17 C ATOM 0 H VAL A 10 -12.065 1.691 -7.471 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.036 2.339 -5.580 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.685 4.641 -5.983 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.748 4.644 -8.468 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.599 3.429 -7.860 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.197 2.922 -8.458 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.803 5.207 -7.143 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.269 3.490 -7.133 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.119 4.380 -5.599 1.00 11.17 H new ATOM 91 N LYS A 11 -13.098 2.401 -4.388 1.00 7.38 N ATOM 92 CA LYS A 11 -13.834 2.455 -3.092 1.00 6.32 C ATOM 93 C LYS A 11 -13.260 1.405 -2.145 1.00 5.68 C ATOM 94 O LYS A 11 -13.253 1.578 -0.943 1.00 5.93 O ATOM 95 CB LYS A 11 -15.317 2.183 -3.326 1.00 8.26 C ATOM 96 CG LYS A 11 -15.937 3.369 -4.061 1.00 8.64 C ATOM 97 CD LYS A 11 -17.420 3.093 -4.290 1.00 9.23 C ATOM 98 CE LYS A 11 -18.056 4.286 -4.998 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.256 4.630 -6.206 1.00 10.51 N ATOM 0 H LYS A 11 -13.669 2.190 -5.206 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.722 3.445 -2.651 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.444 1.272 -3.910 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.824 2.025 -2.374 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.810 4.281 -3.478 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.432 3.527 -5.014 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.545 2.192 -4.890 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.919 2.913 -3.338 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -19.081 4.049 -5.283 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -18.102 5.141 -4.323 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -17.885 5.008 -6.943 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -16.544 5.346 -5.958 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -16.780 3.777 -6.562 1.00 10.51 H new ATOM 113 N LYS A 12 -12.764 0.324 -2.677 1.00 5.08 N ATOM 114 CA LYS A 12 -12.178 -0.727 -1.805 1.00 4.72 C ATOM 115 C LYS A 12 -11.032 -0.081 -1.041 1.00 4.34 C ATOM 116 O LYS A 12 -10.831 -0.318 0.132 1.00 4.65 O ATOM 117 CB LYS A 12 -11.619 -1.867 -2.668 1.00 6.91 C ATOM 118 CG LYS A 12 -12.672 -2.356 -3.667 1.00 7.86 C ATOM 119 CD LYS A 12 -13.783 -3.113 -2.942 1.00 8.86 C ATOM 120 CE LYS A 12 -14.725 -3.742 -3.970 1.00 9.89 C ATOM 121 NZ LYS A 12 -15.954 -4.227 -3.281 1.00 10.82 N ATOM 0 H LYS A 12 -12.740 0.124 -3.677 1.00 5.08 H new ATOM 0 HA LYS A 12 -12.932 -1.133 -1.131 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -10.734 -1.524 -3.204 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.305 -2.693 -2.030 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.093 -1.507 -4.206 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -12.205 -3.004 -4.409 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -13.355 -3.886 -2.304 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -14.336 -2.435 -2.293 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.988 -3.011 -4.735 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.228 -4.569 -4.477 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -16.596 -4.655 -3.978 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -15.694 -4.937 -2.567 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -16.430 -3.427 -2.817 1.00 10.82 H new ATOM 135 N TRP A 13 -10.288 0.747 -1.710 1.00 4.15 N ATOM 136 CA TRP A 13 -9.157 1.435 -1.044 1.00 3.58 C ATOM 137 C TRP A 13 -9.698 2.266 0.120 1.00 2.38 C ATOM 138 O TRP A 13 -9.046 2.453 1.114 1.00 2.83 O ATOM 139 CB TRP A 13 -8.464 2.355 -2.046 1.00 4.70 C ATOM 140 CG TRP A 13 -8.091 1.592 -3.286 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.151 0.242 -3.439 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.603 2.119 -4.553 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.733 -0.082 -4.718 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.382 1.039 -5.440 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.333 3.418 -5.012 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.910 1.242 -6.736 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.854 3.627 -6.316 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.644 2.542 -7.176 1.00 6.26 C ATOM 0 H TRP A 13 -10.416 0.978 -2.695 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.443 0.700 -0.673 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.123 3.183 -2.305 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.571 2.788 -1.595 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.472 -0.462 -2.686 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.690 -1.034 -5.082 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.495 4.262 -4.358 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.751 0.401 -7.395 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.646 4.630 -6.657 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.277 2.709 -8.178 1.00 6.26 H new ATOM 159 N ALA A 14 -10.887 2.778 0.007 1.00 0.01 N ATOM 160 CA ALA A 14 -11.443 3.597 1.122 1.00 0.01 C ATOM 161 C ALA A 14 -12.006 2.676 2.210 1.00 0.01 C ATOM 162 O ALA A 14 -12.372 3.118 3.280 1.00 0.01 O ATOM 163 CB ALA A 14 -12.561 4.494 0.587 1.00 0.00 C ATOM 0 H ALA A 14 -11.498 2.668 -0.803 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.650 4.213 1.546 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.968 5.093 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.161 5.153 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.351 3.876 0.161 1.00 0.00 H new ATOM 169 N GLU A 15 -12.098 1.398 1.940 1.00 0.01 N ATOM 170 CA GLU A 15 -12.659 0.452 2.954 1.00 0.01 C ATOM 171 C GLU A 15 -11.558 -0.082 3.882 1.00 0.01 C ATOM 172 O GLU A 15 -11.799 -0.346 5.044 1.00 0.01 O ATOM 173 CB GLU A 15 -13.319 -0.721 2.233 1.00 0.01 C ATOM 174 CG GLU A 15 -14.590 -0.236 1.534 1.00 0.01 C ATOM 175 CD GLU A 15 -15.197 -1.382 0.726 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.626 -2.460 0.743 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.219 -1.161 0.098 1.00 0.01 O ATOM 0 H GLU A 15 -11.809 0.968 1.061 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.390 0.988 3.559 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.630 -1.149 1.504 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.561 -1.510 2.945 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.308 0.124 2.271 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.359 0.603 0.878 1.00 0.01 H new ATOM 184 N SER A 16 -10.357 -0.258 3.392 1.00 0.01 N ATOM 185 CA SER A 16 -9.274 -0.790 4.277 1.00 0.01 C ATOM 186 C SER A 16 -7.918 -0.713 3.570 1.00 0.00 C ATOM 187 O SER A 16 -7.819 -0.859 2.370 1.00 0.00 O ATOM 188 CB SER A 16 -9.572 -2.249 4.623 1.00 0.01 C ATOM 189 OG SER A 16 -9.697 -2.998 3.422 1.00 0.01 O ATOM 0 H SER A 16 -10.081 -0.060 2.430 1.00 0.01 H new ATOM 0 HA SER A 16 -9.238 -0.188 5.185 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.773 -2.659 5.240 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.491 -2.317 5.205 1.00 0.01 H new ATOM 0 HG SER A 16 -9.887 -3.935 3.639 1.00 0.01 H new ATOM 195 N LEU A 17 -6.875 -0.495 4.327 1.00 0.00 N ATOM 196 CA LEU A 17 -5.502 -0.399 3.746 1.00 0.00 C ATOM 197 C LEU A 17 -5.142 -1.692 3.015 1.00 0.01 C ATOM 198 O LEU A 17 -4.537 -1.669 1.961 1.00 0.00 O ATOM 199 CB LEU A 17 -4.514 -0.150 4.886 1.00 0.01 C ATOM 200 CG LEU A 17 -3.073 -0.098 4.357 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.939 1.004 3.293 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.115 0.186 5.531 1.00 0.00 C ATOM 0 H LEU A 17 -6.917 -0.378 5.339 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.461 0.420 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.757 0.788 5.385 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.604 -0.941 5.631 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.820 -1.055 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.913 1.032 2.925 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.616 0.794 2.465 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.193 1.968 3.734 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.090 0.224 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.373 1.142 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.204 -0.607 6.274 1.00 0.00 H new ATOM 214 N GLU A 18 -5.502 -2.812 3.558 1.00 0.01 N ATOM 215 CA GLU A 18 -5.170 -4.094 2.885 1.00 0.00 C ATOM 216 C GLU A 18 -5.705 -4.068 1.450 1.00 0.00 C ATOM 217 O GLU A 18 -5.071 -4.544 0.532 1.00 0.01 O ATOM 218 CB GLU A 18 -5.842 -5.243 3.635 1.00 0.01 C ATOM 219 CG GLU A 18 -5.169 -5.443 4.992 1.00 0.01 C ATOM 220 CD GLU A 18 -5.856 -6.597 5.727 1.00 0.00 C ATOM 221 OE1 GLU A 18 -6.856 -7.080 5.223 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.372 -6.974 6.780 1.00 0.01 O ATOM 0 H GLU A 18 -6.011 -2.899 4.438 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.089 -4.231 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.902 -5.028 3.773 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.776 -6.159 3.048 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.109 -5.661 4.858 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.234 -4.529 5.582 1.00 0.01 H new ATOM 229 N ASN A 19 -6.876 -3.529 1.260 1.00 0.01 N ATOM 230 CA ASN A 19 -7.473 -3.490 -0.106 1.00 0.00 C ATOM 231 C ASN A 19 -6.609 -2.651 -1.058 1.00 0.00 C ATOM 232 O ASN A 19 -6.413 -3.002 -2.208 1.00 0.01 O ATOM 233 CB ASN A 19 -8.862 -2.870 -0.013 1.00 0.01 C ATOM 234 CG ASN A 19 -9.791 -3.838 0.720 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.544 -5.027 0.752 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.851 -3.373 1.321 1.00 0.01 N ATOM 0 H ASN A 19 -7.449 -3.112 1.994 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.530 -4.506 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.815 -1.919 0.517 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.248 -2.660 -1.010 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.475 -4.008 1.819 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.056 -2.374 1.293 1.00 0.01 H new ATOM 243 N LEU A 20 -6.097 -1.546 -0.596 1.00 0.00 N ATOM 244 CA LEU A 20 -5.258 -0.684 -1.476 1.00 0.01 C ATOM 245 C LEU A 20 -4.039 -1.468 -1.966 1.00 0.01 C ATOM 246 O LEU A 20 -3.710 -1.456 -3.133 1.00 0.00 O ATOM 247 CB LEU A 20 -4.812 0.551 -0.679 1.00 0.00 C ATOM 248 CG LEU A 20 -3.871 1.433 -1.514 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.561 1.863 -2.816 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.516 2.680 -0.699 1.00 0.01 C ATOM 0 H LEU A 20 -6.223 -1.201 0.355 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.835 -0.368 -2.345 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.686 1.129 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.307 0.236 0.234 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.971 0.869 -1.760 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.883 2.487 -3.398 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.828 0.979 -3.395 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.463 2.428 -2.580 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.848 3.316 -1.280 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.426 3.231 -0.462 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.021 2.382 0.225 1.00 0.01 H new ATOM 262 N ILE A 21 -3.361 -2.147 -1.086 1.00 0.01 N ATOM 263 CA ILE A 21 -2.159 -2.924 -1.507 1.00 0.00 C ATOM 264 C ILE A 21 -2.573 -4.265 -2.132 1.00 0.00 C ATOM 265 O ILE A 21 -1.780 -4.931 -2.761 1.00 0.00 O ATOM 266 CB ILE A 21 -1.275 -3.177 -0.282 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.067 -3.951 0.772 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.830 -1.841 0.314 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.157 -4.272 1.955 1.00 0.01 C ATOM 0 H ILE A 21 -3.585 -2.199 -0.092 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.608 -2.352 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.402 -3.755 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.922 -3.362 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.462 -4.872 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.201 -2.023 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.265 -1.281 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.706 -1.266 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.720 -4.824 2.708 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.317 -4.877 1.614 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.784 -3.344 2.389 1.00 0.01 H new ATOM 281 N ASN A 22 -3.797 -4.684 -1.951 1.00 0.00 N ATOM 282 CA ASN A 22 -4.217 -6.000 -2.529 1.00 0.01 C ATOM 283 C ASN A 22 -4.750 -5.808 -3.948 1.00 0.01 C ATOM 284 O ASN A 22 -4.967 -6.760 -4.670 1.00 0.01 O ATOM 285 CB ASN A 22 -5.327 -6.605 -1.678 1.00 0.01 C ATOM 286 CG ASN A 22 -4.776 -7.004 -0.310 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.587 -7.204 -0.152 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.599 -7.125 0.696 1.00 0.01 N ATOM 0 H ASN A 22 -4.519 -4.181 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.350 -6.661 -2.546 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.137 -5.886 -1.558 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.747 -7.477 -2.179 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -5.245 -7.388 1.616 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.596 -6.957 0.562 1.00 0.01 H new ATOM 295 N HIS A 23 -4.972 -4.590 -4.361 1.00 0.01 N ATOM 296 CA HIS A 23 -5.497 -4.366 -5.739 1.00 0.01 C ATOM 297 C HIS A 23 -4.318 -4.208 -6.699 1.00 0.01 C ATOM 298 O HIS A 23 -3.327 -3.578 -6.385 1.00 0.01 O ATOM 299 CB HIS A 23 -6.357 -3.106 -5.763 1.00 0.00 C ATOM 300 CG HIS A 23 -7.094 -3.029 -7.068 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.816 -2.058 -8.019 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.096 -3.800 -7.601 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.639 -2.269 -9.063 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.439 -3.319 -8.860 1.00 0.01 N ATOM 0 H HIS A 23 -4.814 -3.746 -3.810 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.107 -5.216 -6.045 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -7.064 -3.120 -4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.731 -2.223 -5.634 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.550 -4.652 -7.116 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.651 -1.663 -9.957 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.149 -3.689 -9.492 1.00 0.01 H new ATOM 312 N GLU A 24 -4.416 -4.791 -7.859 1.00 0.01 N ATOM 313 CA GLU A 24 -3.302 -4.701 -8.843 1.00 0.01 C ATOM 314 C GLU A 24 -3.045 -3.236 -9.197 1.00 0.01 C ATOM 315 O GLU A 24 -1.910 -2.814 -9.332 1.00 0.01 O ATOM 316 CB GLU A 24 -3.673 -5.485 -10.103 1.00 0.01 C ATOM 317 CG GLU A 24 -2.505 -5.443 -11.091 1.00 0.01 C ATOM 318 CD GLU A 24 -2.827 -6.327 -12.297 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.891 -6.922 -12.304 1.00 0.00 O ATOM 320 OE2 GLU A 24 -2.001 -6.395 -13.194 1.00 0.01 O ATOM 0 H GLU A 24 -5.224 -5.329 -8.170 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.397 -5.125 -8.409 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.909 -6.518 -9.846 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.566 -5.058 -10.560 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.325 -4.418 -11.415 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.592 -5.789 -10.606 1.00 0.01 H new ATOM 327 N CYS A 25 -4.077 -2.447 -9.344 1.00 0.01 N ATOM 328 CA CYS A 25 -3.860 -1.013 -9.682 1.00 0.01 C ATOM 329 C CYS A 25 -3.584 -0.247 -8.392 1.00 0.01 C ATOM 330 O CYS A 25 -2.938 0.782 -8.397 1.00 0.00 O ATOM 331 CB CYS A 25 -5.100 -0.435 -10.370 1.00 0.01 C ATOM 332 SG CYS A 25 -4.626 1.076 -11.245 1.00 0.00 S ATOM 0 H CYS A 25 -5.051 -2.732 -9.245 1.00 0.01 H new ATOM 0 HA CYS A 25 -3.014 -0.922 -10.363 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.518 -1.161 -11.068 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.874 -0.218 -9.634 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.668 1.579 -11.837 1.00 0.00 H new ATOM 338 N GLY A 26 -4.042 -0.753 -7.280 1.00 0.01 N ATOM 339 CA GLY A 26 -3.767 -0.060 -5.996 1.00 0.01 C ATOM 340 C GLY A 26 -2.268 -0.138 -5.747 1.00 0.01 C ATOM 341 O GLY A 26 -1.626 0.846 -5.443 1.00 0.01 O ATOM 0 H GLY A 26 -4.590 -1.610 -7.207 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.094 0.979 -6.043 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.316 -0.531 -5.181 1.00 0.01 H new ATOM 345 N LEU A 27 -1.695 -1.301 -5.909 1.00 0.01 N ATOM 346 CA LEU A 27 -0.230 -1.429 -5.719 1.00 0.00 C ATOM 347 C LEU A 27 0.452 -0.504 -6.722 1.00 0.00 C ATOM 348 O LEU A 27 1.365 0.223 -6.394 1.00 0.00 O ATOM 349 CB LEU A 27 0.209 -2.876 -5.983 1.00 0.00 C ATOM 350 CG LEU A 27 -0.260 -3.793 -4.841 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.247 -5.250 -5.316 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.684 -3.663 -3.631 1.00 0.01 C ATOM 0 H LEU A 27 -2.180 -2.162 -6.164 1.00 0.01 H new ATOM 0 HA LEU A 27 0.042 -1.162 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.206 -3.222 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.294 -2.923 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.269 -3.499 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.579 -5.900 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.917 -5.361 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.765 -5.527 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.341 -4.317 -2.830 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.694 -3.949 -3.925 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.686 -2.631 -3.281 1.00 0.01 H new ATOM 364 N ALA A 28 0.003 -0.518 -7.947 1.00 0.00 N ATOM 365 CA ALA A 28 0.615 0.370 -8.971 1.00 0.00 C ATOM 366 C ALA A 28 0.462 1.824 -8.530 1.00 0.01 C ATOM 367 O ALA A 28 1.411 2.582 -8.508 1.00 0.00 O ATOM 368 CB ALA A 28 -0.095 0.167 -10.309 1.00 0.00 C ATOM 0 H ALA A 28 -0.761 -1.106 -8.281 1.00 0.00 H new ATOM 0 HA ALA A 28 1.672 0.129 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.352 0.817 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.007 -0.872 -10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.152 0.411 -10.201 1.00 0.00 H new ATOM 374 N ALA A 29 -0.728 2.214 -8.172 1.00 0.00 N ATOM 375 CA ALA A 29 -0.950 3.616 -7.725 1.00 0.01 C ATOM 376 C ALA A 29 -0.251 3.835 -6.382 1.00 0.00 C ATOM 377 O ALA A 29 0.347 4.864 -6.143 1.00 0.00 O ATOM 378 CB ALA A 29 -2.452 3.862 -7.558 1.00 0.01 C ATOM 0 H ALA A 29 -1.558 1.621 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.545 4.305 -8.466 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.618 4.888 -7.231 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.956 3.699 -8.511 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.853 3.174 -6.813 1.00 0.01 H new ATOM 384 N PHE A 30 -0.332 2.875 -5.502 1.00 0.00 N ATOM 385 CA PHE A 30 0.318 3.029 -4.170 1.00 0.00 C ATOM 386 C PHE A 30 1.829 3.188 -4.334 1.00 0.00 C ATOM 387 O PHE A 30 2.440 4.046 -3.728 1.00 0.00 O ATOM 388 CB PHE A 30 0.014 1.808 -3.296 1.00 0.00 C ATOM 389 CG PHE A 30 0.603 2.021 -1.917 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.166 3.092 -1.123 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.590 1.152 -1.432 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.719 3.296 0.145 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.137 1.357 -0.161 1.00 0.00 C ATOM 394 CZ PHE A 30 1.704 2.428 0.626 1.00 0.00 C ATOM 0 H PHE A 30 -0.820 1.991 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.079 3.922 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.063 1.656 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.433 0.909 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.599 3.760 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.928 0.325 -2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.385 4.124 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.896 0.686 0.213 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.130 2.585 1.606 1.00 0.00 H new ATOM 404 N LYS A 31 2.436 2.378 -5.150 1.00 0.00 N ATOM 405 CA LYS A 31 3.908 2.492 -5.351 1.00 0.00 C ATOM 406 C LYS A 31 4.237 3.883 -5.891 1.00 0.00 C ATOM 407 O LYS A 31 5.210 4.494 -5.497 1.00 0.00 O ATOM 408 CB LYS A 31 4.371 1.413 -6.334 1.00 0.00 C ATOM 409 CG LYS A 31 4.351 0.051 -5.632 1.00 0.00 C ATOM 410 CD LYS A 31 4.803 -1.039 -6.606 1.00 0.00 C ATOM 411 CE LYS A 31 4.780 -2.395 -5.899 1.00 0.01 C ATOM 412 NZ LYS A 31 4.932 -3.485 -6.903 1.00 0.00 N ATOM 0 H LYS A 31 1.979 1.641 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 31 4.426 2.350 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.719 1.395 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.376 1.637 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.008 0.070 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.347 -0.167 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.147 -1.059 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.808 -0.823 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.585 -2.448 -5.166 1.00 0.01 H new ATOM 0 HE3 LYS A 31 3.844 -2.517 -5.354 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.916 -4.406 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.150 -3.439 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.836 -3.372 -7.404 1.00 0.00 H new ATOM 426 N ALA A 32 3.437 4.400 -6.782 1.00 0.00 N ATOM 427 CA ALA A 32 3.720 5.758 -7.321 1.00 0.00 C ATOM 428 C ALA A 32 3.489 6.796 -6.223 1.00 0.01 C ATOM 429 O ALA A 32 4.239 7.738 -6.078 1.00 0.00 O ATOM 430 CB ALA A 32 2.787 6.051 -8.496 1.00 0.00 C ATOM 0 H ALA A 32 2.605 3.944 -7.158 1.00 0.00 H new ATOM 0 HA ALA A 32 4.755 5.803 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.997 7.046 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.946 5.311 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.752 6.005 -8.159 1.00 0.00 H new ATOM 436 N PHE A 33 2.457 6.635 -5.445 1.00 0.00 N ATOM 437 CA PHE A 33 2.198 7.618 -4.361 1.00 0.00 C ATOM 438 C PHE A 33 3.385 7.655 -3.401 1.00 0.00 C ATOM 439 O PHE A 33 3.815 8.706 -2.975 1.00 0.00 O ATOM 440 CB PHE A 33 0.929 7.243 -3.608 1.00 0.00 C ATOM 441 CG PHE A 33 0.719 8.224 -2.482 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.072 9.439 -2.729 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.177 7.922 -1.195 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.117 10.356 -1.688 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.986 8.836 -0.154 1.00 0.00 C ATOM 446 CZ PHE A 33 0.341 10.054 -0.400 1.00 0.00 C ATOM 0 H PHE A 33 1.786 5.870 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 33 2.066 8.606 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.073 7.255 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.010 6.230 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.282 9.670 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.678 6.984 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.615 11.295 -1.878 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.336 8.602 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.197 10.761 0.404 1.00 0.00 H new ATOM 456 N LEU A 34 3.924 6.520 -3.060 1.00 0.00 N ATOM 457 CA LEU A 34 5.089 6.517 -2.135 1.00 0.00 C ATOM 458 C LEU A 34 6.220 7.312 -2.782 1.00 0.00 C ATOM 459 O LEU A 34 6.921 8.053 -2.126 1.00 0.00 O ATOM 460 CB LEU A 34 5.561 5.087 -1.870 1.00 0.00 C ATOM 461 CG LEU A 34 4.493 4.295 -1.094 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.927 2.822 -1.009 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.324 4.867 0.328 1.00 0.00 C ATOM 0 H LEU A 34 3.612 5.602 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 34 4.799 6.966 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.775 4.588 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.491 5.105 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 34 3.539 4.375 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.176 2.253 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.029 2.414 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.884 2.754 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.565 4.295 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.272 4.800 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.015 5.911 0.266 1.00 0.00 H new ATOM 475 N LYS A 35 6.401 7.166 -4.068 1.00 0.00 N ATOM 476 CA LYS A 35 7.487 7.920 -4.757 1.00 0.00 C ATOM 477 C LYS A 35 7.236 9.415 -4.572 1.00 0.01 C ATOM 478 O LYS A 35 8.152 10.191 -4.382 1.00 0.00 O ATOM 479 CB LYS A 35 7.491 7.588 -6.251 1.00 0.00 C ATOM 480 CG LYS A 35 7.959 6.147 -6.453 1.00 0.00 C ATOM 481 CD LYS A 35 7.964 5.817 -7.947 1.00 0.00 C ATOM 482 CE LYS A 35 8.431 4.375 -8.149 1.00 0.00 C ATOM 483 NZ LYS A 35 8.241 3.986 -9.575 1.00 0.01 N ATOM 0 H LYS A 35 5.845 6.558 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 35 8.451 7.642 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.491 7.718 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.149 8.273 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.958 6.016 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.300 5.461 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.965 5.949 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.624 6.502 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.481 4.279 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.867 3.705 -7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.559 3.005 -9.713 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.234 4.062 -9.824 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 8.797 4.619 -10.185 1.00 0.01 H new ATOM 497 N SER A 36 5.998 9.829 -4.610 1.00 0.00 N ATOM 498 CA SER A 36 5.693 11.272 -4.421 1.00 0.00 C ATOM 499 C SER A 36 6.202 11.688 -3.043 1.00 0.00 C ATOM 500 O SER A 36 6.722 12.770 -2.857 1.00 0.00 O ATOM 501 CB SER A 36 4.181 11.497 -4.498 1.00 0.00 C ATOM 502 OG SER A 36 3.709 11.088 -5.775 1.00 0.00 O ATOM 0 H SER A 36 5.187 9.229 -4.764 1.00 0.00 H new ATOM 0 HA SER A 36 6.175 11.863 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.677 10.932 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.949 12.549 -4.332 1.00 0.00 H new ATOM 0 HG SER A 36 2.741 11.229 -5.827 1.00 0.00 H new ATOM 508 N GLU A 37 6.063 10.821 -2.075 1.00 0.00 N ATOM 509 CA GLU A 37 6.539 11.133 -0.695 1.00 0.00 C ATOM 510 C GLU A 37 7.887 10.445 -0.465 1.00 0.00 C ATOM 511 O GLU A 37 8.448 10.489 0.611 1.00 0.00 O ATOM 512 CB GLU A 37 5.517 10.609 0.311 1.00 0.00 C ATOM 513 CG GLU A 37 4.252 11.460 0.227 1.00 0.00 C ATOM 514 CD GLU A 37 3.225 10.937 1.229 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.475 9.897 1.816 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.208 11.586 1.393 1.00 0.00 O ATOM 0 H GLU A 37 5.636 9.901 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 37 6.655 12.210 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.283 9.565 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.929 10.646 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.487 12.503 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.843 11.425 -0.783 1.00 0.00 H new ATOM 523 N TYR A 38 8.413 9.823 -1.485 1.00 0.00 N ATOM 524 CA TYR A 38 9.731 9.142 -1.363 1.00 0.00 C ATOM 525 C TYR A 38 9.717 8.180 -0.178 1.00 0.00 C ATOM 526 O TYR A 38 10.710 8.002 0.500 1.00 0.00 O ATOM 527 CB TYR A 38 10.818 10.191 -1.162 1.00 0.00 C ATOM 528 CG TYR A 38 10.812 11.122 -2.346 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.553 10.807 -3.490 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.052 12.295 -2.303 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.536 11.668 -4.592 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.032 13.156 -3.405 1.00 0.00 C ATOM 533 CZ TYR A 38 10.774 12.843 -4.551 1.00 0.01 C ATOM 534 OH TYR A 38 10.755 13.692 -5.638 1.00 0.00 O ATOM 0 H TYR A 38 7.980 9.758 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 38 9.930 8.575 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.641 10.748 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.792 9.712 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.138 9.900 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.480 12.536 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.110 11.427 -5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.445 14.062 -3.372 1.00 0.00 H new ATOM 0 HH TYR A 38 10.177 14.459 -5.444 1.00 0.00 H new ATOM 544 N SER A 39 8.602 7.547 0.064 1.00 0.00 N ATOM 545 CA SER A 39 8.510 6.575 1.193 1.00 0.00 C ATOM 546 C SER A 39 8.618 5.160 0.613 1.00 0.00 C ATOM 547 O SER A 39 7.906 4.254 0.998 1.00 0.00 O ATOM 548 CB SER A 39 7.169 6.774 1.920 1.00 0.00 C ATOM 549 OG SER A 39 6.208 7.274 0.999 1.00 0.00 O ATOM 0 H SER A 39 7.744 7.662 -0.475 1.00 0.00 H new ATOM 0 HA SER A 39 9.314 6.730 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.828 5.829 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.291 7.470 2.750 1.00 0.00 H new ATOM 0 HG SER A 39 5.351 7.401 1.457 1.00 0.00 H new ATOM 555 N GLU A 40 9.514 4.974 -0.322 1.00 0.00 N ATOM 556 CA GLU A 40 9.684 3.631 -0.945 1.00 0.00 C ATOM 557 C GLU A 40 10.243 2.653 0.088 1.00 0.00 C ATOM 558 O GLU A 40 10.185 1.453 -0.077 1.00 0.00 O ATOM 559 CB GLU A 40 10.656 3.730 -2.127 1.00 0.00 C ATOM 560 CG GLU A 40 12.001 4.286 -1.646 1.00 0.00 C ATOM 561 CD GLU A 40 12.968 4.383 -2.828 1.00 0.00 C ATOM 562 OE1 GLU A 40 12.681 3.788 -3.854 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.980 5.050 -2.686 1.00 0.00 O ATOM 0 H GLU A 40 10.136 5.698 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 40 8.716 3.275 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.798 2.747 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.240 4.377 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.860 5.269 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.418 3.640 -0.874 1.00 0.00 H new ATOM 570 N GLU A 41 10.785 3.150 1.156 1.00 0.00 N ATOM 571 CA GLU A 41 11.331 2.234 2.187 1.00 0.00 C ATOM 572 C GLU A 41 10.187 1.368 2.725 1.00 0.00 C ATOM 573 O GLU A 41 10.350 0.193 2.985 1.00 0.00 O ATOM 574 CB GLU A 41 11.950 3.058 3.319 1.00 0.00 C ATOM 575 CG GLU A 41 10.850 3.797 4.082 1.00 0.00 C ATOM 576 CD GLU A 41 11.480 4.855 4.987 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.428 5.490 4.551 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.011 5.009 6.102 1.00 0.00 O ATOM 0 H GLU A 41 10.874 4.145 1.361 1.00 0.00 H new ATOM 0 HA GLU A 41 12.101 1.593 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.501 2.406 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.666 3.772 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.159 4.267 3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.270 3.092 4.678 1.00 0.00 H new ATOM 585 N ASN A 42 9.030 1.952 2.898 1.00 0.00 N ATOM 586 CA ASN A 42 7.870 1.177 3.424 1.00 0.00 C ATOM 587 C ASN A 42 7.526 0.008 2.492 1.00 0.00 C ATOM 588 O ASN A 42 7.373 -1.114 2.934 1.00 0.00 O ATOM 589 CB ASN A 42 6.654 2.100 3.533 1.00 0.00 C ATOM 590 CG ASN A 42 6.872 3.109 4.661 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.658 2.877 5.558 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.202 4.229 4.655 1.00 0.00 N ATOM 0 H ASN A 42 8.839 2.934 2.697 1.00 0.00 H new ATOM 0 HA ASN A 42 8.135 0.779 4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.497 2.623 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.756 1.513 3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.338 4.909 5.403 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.542 4.424 3.902 1.00 0.00 H new ATOM 599 N ILE A 43 7.388 0.249 1.211 1.00 0.00 N ATOM 600 CA ILE A 43 7.035 -0.874 0.291 1.00 0.00 C ATOM 601 C ILE A 43 8.220 -1.833 0.156 1.00 0.00 C ATOM 602 O ILE A 43 8.054 -3.037 0.161 1.00 0.00 O ATOM 603 CB ILE A 43 6.612 -0.336 -1.082 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.995 -1.468 -1.918 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.812 0.244 -1.829 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.621 -1.872 -1.359 1.00 0.00 C ATOM 0 H ILE A 43 7.503 1.161 0.769 1.00 0.00 H new ATOM 0 HA ILE A 43 6.191 -1.420 0.713 1.00 0.00 H new ATOM 0 HB ILE A 43 5.876 0.453 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.891 -1.146 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.661 -2.331 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.489 0.620 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.242 1.060 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.562 -0.534 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.203 -2.675 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.733 -2.216 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.951 -1.012 -1.383 1.00 0.00 H new ATOM 618 N ASP A 44 9.419 -1.321 0.053 1.00 0.00 N ATOM 619 CA ASP A 44 10.590 -2.236 -0.057 1.00 0.00 C ATOM 620 C ASP A 44 10.637 -3.076 1.212 1.00 0.00 C ATOM 621 O ASP A 44 10.814 -4.277 1.177 1.00 0.00 O ATOM 622 CB ASP A 44 11.882 -1.424 -0.184 1.00 0.00 C ATOM 623 CG ASP A 44 11.925 -0.737 -1.550 1.00 0.00 C ATOM 624 OD1 ASP A 44 11.215 -1.183 -2.435 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.667 0.221 -1.685 1.00 0.00 O ATOM 0 H ASP A 44 9.635 -0.324 0.040 1.00 0.00 H new ATOM 0 HA ASP A 44 10.495 -2.870 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.935 -0.680 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.747 -2.077 -0.067 1.00 0.00 H new ATOM 630 N PHE A 45 10.448 -2.442 2.332 1.00 0.00 N ATOM 631 CA PHE A 45 10.443 -3.177 3.620 1.00 0.00 C ATOM 632 C PHE A 45 9.246 -4.127 3.637 1.00 0.00 C ATOM 633 O PHE A 45 9.346 -5.266 4.048 1.00 0.00 O ATOM 634 CB PHE A 45 10.337 -2.172 4.770 1.00 0.00 C ATOM 635 CG PHE A 45 10.140 -2.903 6.074 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.246 -3.398 6.773 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.849 -3.088 6.582 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.062 -4.076 7.982 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.664 -3.767 7.791 1.00 0.00 C ATOM 640 CZ PHE A 45 9.770 -4.261 8.492 1.00 0.00 C ATOM 0 H PHE A 45 10.295 -1.436 2.409 1.00 0.00 H new ATOM 0 HA PHE A 45 11.362 -3.751 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.240 -1.563 4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.503 -1.492 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.242 -3.257 6.379 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.996 -2.707 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.916 -4.457 8.523 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.668 -3.910 8.183 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.628 -4.785 9.426 1.00 0.00 H new ATOM 650 N TRP A 46 8.111 -3.664 3.187 1.00 0.00 N ATOM 651 CA TRP A 46 6.904 -4.533 3.169 1.00 0.00 C ATOM 652 C TRP A 46 7.174 -5.760 2.297 1.00 0.00 C ATOM 653 O TRP A 46 6.850 -6.871 2.657 1.00 0.00 O ATOM 654 CB TRP A 46 5.718 -3.758 2.597 1.00 0.00 C ATOM 655 CG TRP A 46 4.483 -4.599 2.670 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.730 -4.772 3.780 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.841 -5.373 1.616 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.669 -5.605 3.476 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.693 -6.003 2.153 1.00 0.00 C ATOM 660 CE3 TRP A 46 4.140 -5.590 0.257 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.871 -6.816 1.372 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.315 -6.409 -0.531 1.00 0.00 C ATOM 663 CH2 TRP A 46 2.181 -7.022 0.024 1.00 0.00 C ATOM 0 H TRP A 46 7.969 -2.719 2.831 1.00 0.00 H new ATOM 0 HA TRP A 46 6.673 -4.849 4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.573 -2.833 3.155 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.919 -3.479 1.563 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.926 -4.331 4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.956 -5.891 4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.009 -5.124 -0.182 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 1.000 -7.284 1.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.555 -6.568 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.550 -7.650 -0.587 1.00 0.00 H new ATOM 674 N ILE A 47 7.762 -5.568 1.146 1.00 0.00 N ATOM 675 CA ILE A 47 8.037 -6.732 0.257 1.00 0.00 C ATOM 676 C ILE A 47 8.947 -7.712 0.998 1.00 0.00 C ATOM 677 O ILE A 47 8.686 -8.897 1.049 1.00 0.00 O ATOM 678 CB ILE A 47 8.726 -6.252 -1.023 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.734 -5.432 -1.860 1.00 0.00 C ATOM 680 CG2 ILE A 47 9.192 -7.464 -1.837 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.492 -4.638 -2.928 1.00 0.00 C ATOM 0 H ILE A 47 8.062 -4.662 0.786 1.00 0.00 H new ATOM 0 HA ILE A 47 7.102 -7.225 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 47 9.585 -5.634 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.008 -6.094 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.175 -4.753 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.683 -7.123 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.894 -8.052 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.331 -8.080 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.785 -4.057 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.201 -3.965 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.031 -5.326 -3.579 1.00 0.00 H new ATOM 693 N SER A 48 10.004 -7.227 1.588 1.00 0.00 N ATOM 694 CA SER A 48 10.909 -8.138 2.338 1.00 0.00 C ATOM 695 C SER A 48 10.150 -8.675 3.551 1.00 0.00 C ATOM 696 O SER A 48 10.294 -9.818 3.935 1.00 0.00 O ATOM 697 CB SER A 48 12.147 -7.370 2.806 1.00 0.00 C ATOM 698 OG SER A 48 11.753 -6.358 3.722 1.00 0.00 O ATOM 0 H SER A 48 10.278 -6.245 1.583 1.00 0.00 H new ATOM 0 HA SER A 48 11.228 -8.960 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.854 -8.051 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.657 -6.925 1.952 1.00 0.00 H new ATOM 0 HG SER A 48 10.876 -6.005 3.462 1.00 0.00 H new ATOM 704 N CYS A 49 9.332 -7.852 4.152 1.00 0.00 N ATOM 705 CA CYS A 49 8.549 -8.302 5.335 1.00 0.00 C ATOM 706 C CYS A 49 7.540 -9.369 4.903 1.00 0.00 C ATOM 707 O CYS A 49 7.307 -10.333 5.599 1.00 0.01 O ATOM 708 CB CYS A 49 7.804 -7.110 5.941 1.00 0.00 C ATOM 709 SG CYS A 49 7.231 -7.535 7.605 1.00 0.01 S ATOM 0 H CYS A 49 9.173 -6.884 3.872 1.00 0.00 H new ATOM 0 HA CYS A 49 9.226 -8.722 6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.460 -6.241 5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.956 -6.840 5.311 1.00 0.00 H new ATOM 0 HG CYS A 49 6.600 -6.521 8.119 1.00 0.01 H new ATOM 715 N GLU A 50 6.935 -9.206 3.763 1.00 0.00 N ATOM 716 CA GLU A 50 5.943 -10.220 3.307 1.00 0.00 C ATOM 717 C GLU A 50 6.629 -11.577 3.183 1.00 0.01 C ATOM 718 O GLU A 50 6.100 -12.589 3.600 1.00 0.00 O ATOM 719 CB GLU A 50 5.377 -9.799 1.953 1.00 0.01 C ATOM 720 CG GLU A 50 4.369 -8.668 2.155 1.00 0.00 C ATOM 721 CD GLU A 50 3.090 -9.228 2.780 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.828 -10.406 2.596 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.393 -8.469 3.432 1.00 0.01 O ATOM 0 H GLU A 50 7.081 -8.420 3.129 1.00 0.00 H new ATOM 0 HA GLU A 50 5.130 -10.293 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.182 -9.471 1.296 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.896 -10.648 1.468 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.794 -7.899 2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.142 -8.194 1.200 1.00 0.00 H new ATOM 730 N GLU A 51 7.813 -11.612 2.643 1.00 0.01 N ATOM 731 CA GLU A 51 8.527 -12.908 2.533 1.00 0.00 C ATOM 732 C GLU A 51 8.707 -13.451 3.950 1.00 0.01 C ATOM 733 O GLU A 51 8.554 -14.627 4.210 1.00 0.00 O ATOM 734 CB GLU A 51 9.883 -12.692 1.859 1.00 0.00 C ATOM 735 CG GLU A 51 9.655 -12.349 0.385 1.00 0.00 C ATOM 736 CD GLU A 51 10.979 -11.944 -0.264 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.982 -11.948 0.430 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.966 -11.636 -1.445 1.00 0.00 O ATOM 0 H GLU A 51 8.314 -10.803 2.275 1.00 0.01 H new ATOM 0 HA GLU A 51 7.963 -13.619 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.426 -11.887 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.495 -13.590 1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.232 -13.208 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.934 -11.536 0.299 1.00 0.00 H new ATOM 745 N TYR A 52 9.015 -12.577 4.869 1.00 0.00 N ATOM 746 CA TYR A 52 9.190 -12.987 6.289 1.00 0.01 C ATOM 747 C TYR A 52 7.850 -13.514 6.819 1.00 0.01 C ATOM 748 O TYR A 52 7.794 -14.478 7.555 1.00 0.01 O ATOM 749 CB TYR A 52 9.613 -11.755 7.096 1.00 0.00 C ATOM 750 CG TYR A 52 10.113 -12.157 8.459 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.208 -12.369 9.505 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.486 -12.304 8.680 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.678 -12.729 10.772 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.957 -12.660 9.946 1.00 0.00 C ATOM 755 CZ TYR A 52 11.053 -12.874 10.993 1.00 0.01 C ATOM 756 OH TYR A 52 11.517 -13.224 12.243 1.00 0.01 O ATOM 0 H TYR A 52 9.154 -11.582 4.692 1.00 0.00 H new ATOM 0 HA TYR A 52 9.947 -13.766 6.376 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.394 -11.215 6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.768 -11.074 7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.148 -12.255 9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.183 -12.142 7.871 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.981 -12.895 11.580 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.018 -12.770 10.117 1.00 0.00 H new ATOM 0 HH TYR A 52 10.758 -13.421 12.831 1.00 0.01 H new ATOM 766 N LYS A 53 6.774 -12.870 6.450 1.00 0.01 N ATOM 767 CA LYS A 53 5.425 -13.300 6.926 1.00 0.01 C ATOM 768 C LYS A 53 5.007 -14.612 6.257 1.00 0.01 C ATOM 769 O LYS A 53 4.139 -15.307 6.746 1.00 0.01 O ATOM 770 CB LYS A 53 4.405 -12.213 6.590 1.00 0.01 C ATOM 771 CG LYS A 53 4.686 -10.986 7.455 1.00 0.00 C ATOM 772 CD LYS A 53 3.673 -9.881 7.133 1.00 0.00 C ATOM 773 CE LYS A 53 4.063 -8.567 7.844 1.00 0.01 C ATOM 774 NZ LYS A 53 4.342 -7.526 6.812 1.00 0.00 N ATOM 0 H LYS A 53 6.772 -12.057 5.834 1.00 0.01 H new ATOM 0 HA LYS A 53 5.466 -13.457 8.004 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.467 -11.952 5.534 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.393 -12.577 6.769 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.625 -11.252 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.699 -10.627 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.631 -9.720 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.676 -10.190 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.257 -8.240 8.501 1.00 0.01 H new ATOM 0 HE3 LYS A 53 4.942 -8.723 8.470 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 3.910 -6.625 7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.370 -7.401 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.941 -7.825 5.900 1.00 0.00 H new ATOM 788 N LYS A 54 5.595 -14.963 5.143 1.00 0.00 N ATOM 789 CA LYS A 54 5.188 -16.235 4.471 1.00 0.01 C ATOM 790 C LYS A 54 6.022 -17.392 5.015 1.00 0.01 C ATOM 791 O LYS A 54 5.585 -18.525 5.030 1.00 0.01 O ATOM 792 CB LYS A 54 5.410 -16.120 2.961 1.00 0.01 C ATOM 793 CG LYS A 54 4.397 -15.144 2.366 1.00 0.01 C ATOM 794 CD LYS A 54 4.622 -15.030 0.857 1.00 0.00 C ATOM 795 CE LYS A 54 3.608 -14.053 0.265 1.00 0.01 C ATOM 796 NZ LYS A 54 3.848 -12.694 0.825 1.00 0.01 N ATOM 0 H LYS A 54 6.330 -14.433 4.674 1.00 0.00 H new ATOM 0 HA LYS A 54 4.132 -16.419 4.669 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.424 -15.776 2.758 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.306 -17.099 2.492 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.383 -15.488 2.568 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.501 -14.165 2.835 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.636 -14.686 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.518 -16.008 0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.697 -14.032 -0.821 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.594 -14.380 0.495 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.864 -11.998 0.052 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 3.087 -12.454 1.492 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.761 -12.680 1.323 1.00 0.01 H new ATOM 810 N ILE A 55 7.210 -17.124 5.481 1.00 0.01 N ATOM 811 CA ILE A 55 8.038 -18.225 6.041 1.00 0.01 C ATOM 812 C ILE A 55 7.474 -18.605 7.412 1.00 0.00 C ATOM 813 O ILE A 55 7.484 -17.816 8.332 1.00 0.01 O ATOM 814 CB ILE A 55 9.492 -17.762 6.176 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.059 -17.485 4.778 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.323 -18.852 6.867 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.384 -16.731 4.902 1.00 0.01 C ATOM 0 H ILE A 55 7.639 -16.199 5.498 1.00 0.01 H new ATOM 0 HA ILE A 55 8.012 -19.091 5.379 1.00 0.01 H new ATOM 0 HB ILE A 55 9.534 -16.853 6.776 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.211 -18.423 4.244 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.348 -16.898 4.196 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.356 -18.517 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.914 -19.048 7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.290 -19.766 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.786 -16.535 3.908 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.218 -15.786 5.419 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.094 -17.334 5.468 1.00 0.01 H new ATOM 829 N LYS A 56 6.966 -19.800 7.553 1.00 0.01 N ATOM 830 CA LYS A 56 6.380 -20.218 8.865 1.00 0.01 C ATOM 831 C LYS A 56 7.430 -20.960 9.691 1.00 0.01 C ATOM 832 O LYS A 56 7.164 -21.404 10.789 1.00 0.01 O ATOM 833 CB LYS A 56 5.183 -21.141 8.613 1.00 0.01 C ATOM 834 CG LYS A 56 4.112 -20.409 7.789 1.00 0.01 C ATOM 835 CD LYS A 56 3.488 -19.271 8.614 1.00 0.00 C ATOM 836 CE LYS A 56 2.152 -18.856 7.992 1.00 0.00 C ATOM 837 NZ LYS A 56 1.591 -17.704 8.752 1.00 0.00 N ATOM 0 H LYS A 56 6.930 -20.506 6.818 1.00 0.01 H new ATOM 0 HA LYS A 56 6.055 -19.334 9.413 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.510 -22.036 8.084 1.00 0.01 H new ATOM 0 HB3 LYS A 56 4.761 -21.468 9.563 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.556 -20.006 6.879 1.00 0.01 H new ATOM 0 HG3 LYS A 56 3.337 -21.111 7.481 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.336 -19.596 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.166 -18.418 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.294 -18.582 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.454 -19.693 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.683 -17.420 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.442 -17.982 9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.256 -16.905 8.713 1.00 0.00 H new ATOM 851 N SER A 57 8.622 -21.097 9.177 1.00 0.00 N ATOM 852 CA SER A 57 9.695 -21.808 9.937 1.00 0.01 C ATOM 853 C SER A 57 10.521 -20.778 10.743 1.00 0.01 C ATOM 854 O SER A 57 11.213 -19.973 10.151 1.00 0.00 O ATOM 855 CB SER A 57 10.619 -22.510 8.943 1.00 0.01 C ATOM 856 OG SER A 57 9.954 -23.652 8.415 1.00 0.01 O ATOM 0 H SER A 57 8.902 -20.747 8.261 1.00 0.00 H new ATOM 0 HA SER A 57 9.247 -22.534 10.616 1.00 0.01 H new ATOM 0 HB2 SER A 57 10.892 -21.828 8.138 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.544 -22.808 9.436 1.00 0.01 H new ATOM 0 HG SER A 57 10.541 -24.433 8.484 1.00 0.01 H new ATOM 862 N PRO A 58 10.471 -20.774 12.068 1.00 0.00 N ATOM 863 CA PRO A 58 11.265 -19.779 12.846 1.00 0.01 C ATOM 864 C PRO A 58 12.772 -20.066 12.784 1.00 0.00 C ATOM 865 O PRO A 58 13.573 -19.354 13.355 1.00 0.00 O ATOM 866 CB PRO A 58 10.713 -19.949 14.274 1.00 0.01 C ATOM 867 CG PRO A 58 9.890 -21.250 14.321 1.00 0.01 C ATOM 868 CD PRO A 58 9.651 -21.726 12.877 1.00 0.01 C ATOM 0 HA PRO A 58 11.169 -18.764 12.461 1.00 0.01 H new ATOM 0 HB2 PRO A 58 11.530 -19.990 14.995 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.091 -19.096 14.545 1.00 0.01 H new ATOM 0 HG2 PRO A 58 10.421 -22.014 14.889 1.00 0.01 H new ATOM 0 HG3 PRO A 58 8.939 -21.079 14.826 1.00 0.01 H new ATOM 0 HD2 PRO A 58 9.972 -22.758 12.734 1.00 0.01 H new ATOM 0 HD3 PRO A 58 8.596 -21.680 12.607 1.00 0.01 H new ATOM 876 N SER A 59 13.162 -21.106 12.098 1.00 0.01 N ATOM 877 CA SER A 59 14.613 -21.433 12.002 1.00 0.01 C ATOM 878 C SER A 59 15.239 -20.678 10.825 1.00 0.01 C ATOM 879 O SER A 59 16.414 -20.371 10.833 1.00 0.01 O ATOM 880 CB SER A 59 14.783 -22.938 11.784 1.00 0.01 C ATOM 881 OG SER A 59 14.028 -23.340 10.649 1.00 0.01 O ATOM 0 H SER A 59 12.539 -21.743 11.601 1.00 0.01 H new ATOM 0 HA SER A 59 15.109 -21.137 12.926 1.00 0.01 H new ATOM 0 HB2 SER A 59 15.836 -23.179 11.638 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.451 -23.484 12.667 1.00 0.01 H new ATOM 0 HG SER A 59 14.138 -24.304 10.508 1.00 0.01 H new ATOM 887 N LYS A 60 14.470 -20.386 9.805 1.00 0.00 N ATOM 888 CA LYS A 60 15.040 -19.663 8.625 1.00 0.00 C ATOM 889 C LYS A 60 14.851 -18.150 8.774 1.00 0.01 C ATOM 890 O LYS A 60 15.450 -17.373 8.057 1.00 0.01 O ATOM 891 CB LYS A 60 14.328 -20.121 7.353 1.00 0.01 C ATOM 892 CG LYS A 60 14.725 -21.565 7.036 1.00 0.01 C ATOM 893 CD LYS A 60 14.125 -21.993 5.688 1.00 0.01 C ATOM 894 CE LYS A 60 12.641 -22.344 5.848 1.00 0.01 C ATOM 895 NZ LYS A 60 12.478 -23.363 6.920 1.00 0.01 N ATOM 0 H LYS A 60 13.478 -20.615 9.738 1.00 0.00 H new ATOM 0 HA LYS A 60 16.105 -19.888 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.248 -20.050 7.483 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.593 -19.469 6.521 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.811 -21.653 7.004 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.374 -22.229 7.826 1.00 0.01 H new ATOM 0 HD2 LYS A 60 14.238 -21.189 4.961 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.668 -22.854 5.298 1.00 0.01 H new ATOM 0 HE2 LYS A 60 12.070 -21.449 6.095 1.00 0.01 H new ATOM 0 HE3 LYS A 60 12.244 -22.726 4.907 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 11.490 -23.685 6.945 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 13.101 -24.173 6.727 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 12.729 -22.944 7.838 1.00 0.01 H new ATOM 909 N LEU A 61 14.030 -17.715 9.686 1.00 0.01 N ATOM 910 CA LEU A 61 13.830 -16.247 9.847 1.00 0.01 C ATOM 911 C LEU A 61 15.162 -15.580 10.203 1.00 0.01 C ATOM 912 O LEU A 61 15.473 -14.503 9.735 1.00 0.01 O ATOM 913 CB LEU A 61 12.804 -15.972 10.954 1.00 0.01 C ATOM 914 CG LEU A 61 11.455 -16.617 10.599 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.448 -16.329 11.721 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.922 -16.051 9.267 1.00 0.01 C ATOM 0 H LEU A 61 13.493 -18.304 10.322 1.00 0.01 H new ATOM 0 HA LEU A 61 13.458 -15.836 8.908 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.166 -16.368 11.903 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.678 -14.897 11.085 1.00 0.01 H new ATOM 0 HG LEU A 61 11.592 -17.693 10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.489 -16.784 11.475 1.00 0.01 H new ATOM 0 HD12 LEU A 61 10.818 -16.746 12.658 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.321 -15.252 11.829 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.966 -16.518 9.030 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.787 -14.973 9.358 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.636 -16.261 8.471 1.00 0.01 H new ATOM 928 N SER A 62 15.944 -16.209 11.035 1.00 0.00 N ATOM 929 CA SER A 62 17.253 -15.614 11.436 1.00 0.01 C ATOM 930 C SER A 62 18.071 -15.177 10.197 1.00 0.01 C ATOM 931 O SER A 62 18.330 -14.004 10.024 1.00 0.01 O ATOM 932 CB SER A 62 18.030 -16.636 12.283 1.00 0.01 C ATOM 933 OG SER A 62 17.815 -16.350 13.659 1.00 0.01 O ATOM 0 H SER A 62 15.734 -17.113 11.457 1.00 0.00 H new ATOM 0 HA SER A 62 17.073 -14.718 12.031 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.698 -17.648 12.052 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.094 -16.589 12.050 1.00 0.01 H new ATOM 0 HG SER A 62 18.305 -16.997 14.208 1.00 0.01 H new ATOM 939 N PRO A 63 18.487 -16.089 9.339 1.00 0.00 N ATOM 940 CA PRO A 63 19.280 -15.704 8.139 1.00 0.00 C ATOM 941 C PRO A 63 18.752 -14.438 7.442 1.00 0.01 C ATOM 942 O PRO A 63 19.473 -13.476 7.267 1.00 0.00 O ATOM 943 CB PRO A 63 19.143 -16.950 7.238 1.00 0.01 C ATOM 944 CG PRO A 63 18.471 -18.070 8.061 1.00 0.01 C ATOM 945 CD PRO A 63 18.216 -17.544 9.488 1.00 0.01 C ATOM 0 HA PRO A 63 20.310 -15.445 8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.547 -16.717 6.356 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.122 -17.273 6.885 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.533 -18.371 7.595 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.110 -18.953 8.091 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.195 -17.736 9.817 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.879 -18.009 10.218 1.00 0.01 H new ATOM 953 N LYS A 64 17.511 -14.427 7.034 1.00 0.01 N ATOM 954 CA LYS A 64 16.978 -13.219 6.343 1.00 0.01 C ATOM 955 C LYS A 64 16.825 -12.070 7.343 1.00 0.00 C ATOM 956 O LYS A 64 16.937 -10.914 6.985 1.00 0.00 O ATOM 957 CB LYS A 64 15.625 -13.525 5.695 1.00 0.00 C ATOM 958 CG LYS A 64 14.582 -13.831 6.771 1.00 0.01 C ATOM 959 CD LYS A 64 13.291 -14.326 6.107 1.00 0.01 C ATOM 960 CE LYS A 64 12.794 -13.296 5.081 1.00 0.01 C ATOM 961 NZ LYS A 64 13.501 -13.500 3.784 1.00 0.00 N ATOM 0 H LYS A 64 16.849 -15.195 7.148 1.00 0.01 H new ATOM 0 HA LYS A 64 17.682 -12.927 5.563 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.300 -12.675 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.721 -14.375 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.963 -14.587 7.457 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.380 -12.937 7.361 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.470 -15.283 5.616 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.525 -14.495 6.864 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.718 -13.398 4.940 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.973 -12.286 5.449 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 14.153 -12.708 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.038 -14.390 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.805 -13.545 3.013 1.00 0.00 H new ATOM 975 N ALA A 65 16.576 -12.363 8.592 1.00 0.00 N ATOM 976 CA ALA A 65 16.432 -11.261 9.584 1.00 0.01 C ATOM 977 C ALA A 65 17.732 -10.457 9.607 1.00 0.01 C ATOM 978 O ALA A 65 17.726 -9.244 9.550 1.00 0.01 O ATOM 979 CB ALA A 65 16.165 -11.842 10.973 1.00 0.01 C ATOM 0 H ALA A 65 16.467 -13.307 8.964 1.00 0.00 H new ATOM 0 HA ALA A 65 15.597 -10.619 9.305 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.061 -11.030 11.693 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.246 -12.428 10.952 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.997 -12.482 11.266 1.00 0.01 H new ATOM 985 N LYS A 66 18.852 -11.126 9.675 1.00 0.01 N ATOM 986 CA LYS A 66 20.152 -10.402 9.687 1.00 0.00 C ATOM 987 C LYS A 66 20.277 -9.590 8.398 1.00 0.01 C ATOM 988 O LYS A 66 20.709 -8.455 8.407 1.00 0.01 O ATOM 989 CB LYS A 66 21.296 -11.416 9.753 1.00 0.01 C ATOM 990 CG LYS A 66 21.316 -12.082 11.129 1.00 0.01 C ATOM 991 CD LYS A 66 22.462 -13.092 11.183 1.00 0.01 C ATOM 992 CE LYS A 66 22.492 -13.765 12.556 1.00 0.00 C ATOM 993 NZ LYS A 66 21.210 -14.492 12.782 1.00 0.00 N ATOM 0 H LYS A 66 18.921 -12.143 9.723 1.00 0.01 H new ATOM 0 HA LYS A 66 20.199 -9.741 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.172 -12.170 8.975 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.247 -10.918 9.566 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.441 -11.330 11.908 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.366 -12.582 11.318 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.335 -13.842 10.402 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.411 -12.590 10.992 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.331 -14.459 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.641 -13.018 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.334 -15.185 13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.468 -13.813 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.933 -14.986 11.910 1.00 0.00 H new ATOM 1007 N LYS A 67 19.900 -10.170 7.290 1.00 0.00 N ATOM 1008 CA LYS A 67 19.992 -9.437 5.996 1.00 0.00 C ATOM 1009 C LYS A 67 19.020 -8.253 6.010 1.00 0.01 C ATOM 1010 O LYS A 67 19.372 -7.146 5.652 1.00 0.01 O ATOM 1011 CB LYS A 67 19.627 -10.388 4.853 1.00 0.00 C ATOM 1012 CG LYS A 67 20.688 -11.487 4.742 1.00 0.01 C ATOM 1013 CD LYS A 67 20.323 -12.438 3.601 1.00 0.00 C ATOM 1014 CE LYS A 67 21.385 -13.536 3.493 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.737 -12.916 3.393 1.00 0.01 N ATOM 0 H LYS A 67 19.533 -11.119 7.226 1.00 0.00 H new ATOM 0 HA LYS A 67 21.007 -9.067 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.647 -10.831 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.560 -9.837 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.667 -11.044 4.561 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.756 -12.037 5.680 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.344 -12.881 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.256 -11.888 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.337 -14.189 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.193 -14.157 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.409 -13.608 3.004 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.693 -12.087 2.767 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 23.054 -12.619 4.338 1.00 0.01 H new ATOM 1029 N ILE A 68 17.801 -8.475 6.423 1.00 0.01 N ATOM 1030 CA ILE A 68 16.817 -7.357 6.463 1.00 0.00 C ATOM 1031 C ILE A 68 17.200 -6.382 7.574 1.00 0.01 C ATOM 1032 O ILE A 68 17.196 -5.179 7.393 1.00 0.00 O ATOM 1033 CB ILE A 68 15.417 -7.912 6.742 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.987 -8.811 5.578 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.423 -6.751 6.894 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.713 -9.568 5.958 1.00 0.00 C ATOM 0 H ILE A 68 17.446 -9.379 6.733 1.00 0.01 H new ATOM 0 HA ILE A 68 16.820 -6.841 5.503 1.00 0.00 H new ATOM 0 HB ILE A 68 15.432 -8.493 7.664 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.812 -8.209 4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.783 -9.516 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.427 -7.148 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.732 -6.114 7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.404 -6.166 5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.408 -10.207 5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.903 -10.182 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.918 -8.855 6.178 1.00 0.00 H new ATOM 1048 N TYR A 69 17.527 -6.895 8.730 1.00 0.00 N ATOM 1049 CA TYR A 69 17.902 -6.009 9.863 1.00 0.01 C ATOM 1050 C TYR A 69 19.129 -5.175 9.496 1.00 0.00 C ATOM 1051 O TYR A 69 19.148 -3.972 9.657 1.00 0.01 O ATOM 1052 CB TYR A 69 18.220 -6.868 11.085 1.00 0.01 C ATOM 1053 CG TYR A 69 18.667 -5.985 12.225 1.00 0.01 C ATOM 1054 CD1 TYR A 69 20.024 -5.681 12.381 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.727 -5.475 13.129 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.443 -4.866 13.438 1.00 0.01 C ATOM 1057 CE2 TYR A 69 18.145 -4.659 14.186 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.504 -4.356 14.342 1.00 0.01 C ATOM 1059 OH TYR A 69 19.915 -3.554 15.388 1.00 0.01 O ATOM 0 H TYR A 69 17.550 -7.894 8.936 1.00 0.00 H new ATOM 0 HA TYR A 69 17.072 -5.338 10.084 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.340 -7.440 11.379 1.00 0.01 H new ATOM 0 HB3 TYR A 69 19.001 -7.588 10.842 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.749 -6.076 11.685 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.680 -5.711 13.010 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.490 -4.630 13.556 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.420 -4.263 14.882 1.00 0.01 H new ATOM 0 HH TYR A 69 19.139 -3.094 15.772 1.00 0.01 H new ATOM 1069 N ASN A 70 20.153 -5.810 9.005 1.00 0.01 N ATOM 1070 CA ASN A 70 21.389 -5.068 8.628 1.00 0.00 C ATOM 1071 C ASN A 70 21.079 -4.064 7.517 1.00 0.00 C ATOM 1072 O ASN A 70 21.596 -2.970 7.495 1.00 0.01 O ATOM 1073 CB ASN A 70 22.444 -6.060 8.138 1.00 0.00 C ATOM 1074 CG ASN A 70 22.951 -6.895 9.316 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.832 -6.492 10.456 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.516 -8.047 9.087 1.00 0.01 N ATOM 0 H ASN A 70 20.189 -6.817 8.847 1.00 0.01 H new ATOM 0 HA ASN A 70 21.764 -4.530 9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 70 22.018 -6.711 7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.273 -5.525 7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.858 -8.611 9.865 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.616 -8.385 8.130 1.00 0.01 H new ATOM 1083 N GLU A 71 20.269 -4.439 6.574 1.00 0.00 N ATOM 1084 CA GLU A 71 19.962 -3.509 5.452 1.00 0.00 C ATOM 1085 C GLU A 71 18.913 -2.455 5.851 1.00 0.00 C ATOM 1086 O GLU A 71 19.125 -1.269 5.694 1.00 0.00 O ATOM 1087 CB GLU A 71 19.433 -4.324 4.269 1.00 0.00 C ATOM 1088 CG GLU A 71 19.208 -3.407 3.063 1.00 0.00 C ATOM 1089 CD GLU A 71 18.729 -4.241 1.874 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.642 -5.448 2.021 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.455 -3.657 0.840 1.00 0.00 O ATOM 0 H GLU A 71 19.805 -5.346 6.528 1.00 0.00 H new ATOM 0 HA GLU A 71 20.878 -2.982 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 71 20.143 -5.110 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.499 -4.815 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.470 -2.642 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.132 -2.888 2.809 1.00 0.00 H new ATOM 1098 N PHE A 72 17.758 -2.879 6.299 1.00 0.00 N ATOM 1099 CA PHE A 72 16.665 -1.904 6.633 1.00 0.00 C ATOM 1100 C PHE A 72 16.721 -1.353 8.070 1.00 0.00 C ATOM 1101 O PHE A 72 16.326 -0.228 8.303 1.00 0.00 O ATOM 1102 CB PHE A 72 15.321 -2.603 6.420 1.00 0.00 C ATOM 1103 CG PHE A 72 15.097 -2.823 4.941 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.598 -3.970 4.318 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.397 -1.869 4.195 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.395 -4.168 2.948 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.194 -2.064 2.823 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.693 -3.215 2.200 1.00 0.00 C ATOM 0 H PHE A 72 17.521 -3.860 6.449 1.00 0.00 H new ATOM 0 HA PHE A 72 16.797 -1.044 5.976 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.308 -3.557 6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.515 -1.998 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.142 -4.704 4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.013 -0.982 4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.780 -5.056 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.654 -1.328 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.536 -3.367 1.142 1.00 0.00 H new ATOM 1118 N ILE A 73 17.141 -2.120 9.046 1.00 0.00 N ATOM 1119 CA ILE A 73 17.128 -1.594 10.458 1.00 0.00 C ATOM 1120 C ILE A 73 18.488 -1.029 10.877 1.00 0.00 C ATOM 1121 O ILE A 73 18.588 -0.348 11.878 1.00 0.01 O ATOM 1122 CB ILE A 73 16.751 -2.731 11.411 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.382 -3.317 11.016 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.703 -2.202 12.849 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.295 -2.234 11.008 1.00 0.00 C ATOM 0 H ILE A 73 17.488 -3.073 8.936 1.00 0.00 H new ATOM 0 HA ILE A 73 16.399 -0.785 10.504 1.00 0.00 H new ATOM 0 HB ILE A 73 17.501 -3.519 11.345 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.451 -3.774 10.029 1.00 0.00 H new ATOM 0 HG13 ILE A 73 15.107 -4.107 11.715 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.434 -3.013 13.526 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.681 -1.808 13.125 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.959 -1.408 12.920 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.341 -2.678 10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.211 -1.796 12.002 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.560 -1.458 10.290 1.00 0.00 H new ATOM 1137 N SER A 74 19.535 -1.286 10.149 1.00 0.01 N ATOM 1138 CA SER A 74 20.853 -0.727 10.570 1.00 0.00 C ATOM 1139 C SER A 74 20.761 0.799 10.604 1.00 0.00 C ATOM 1140 O SER A 74 20.295 1.423 9.673 1.00 0.01 O ATOM 1141 CB SER A 74 21.937 -1.146 9.579 1.00 0.00 C ATOM 1142 OG SER A 74 21.548 -0.762 8.268 1.00 0.01 O ATOM 0 H SER A 74 19.541 -1.847 9.297 1.00 0.01 H new ATOM 0 HA SER A 74 21.107 -1.107 11.559 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.886 -0.678 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.090 -2.224 9.624 1.00 0.00 H new ATOM 0 HG SER A 74 21.169 -1.535 7.800 1.00 0.01 H new ATOM 1148 N VAL A 75 21.209 1.410 11.668 1.00 0.01 N ATOM 1149 CA VAL A 75 21.148 2.896 11.743 1.00 0.01 C ATOM 1150 C VAL A 75 21.952 3.478 10.581 1.00 0.00 C ATOM 1151 O VAL A 75 21.845 4.643 10.256 1.00 0.00 O ATOM 1152 CB VAL A 75 21.735 3.372 13.078 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.927 2.769 14.232 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.203 2.931 13.189 1.00 0.00 C ATOM 0 H VAL A 75 21.612 0.947 12.483 1.00 0.01 H new ATOM 0 HA VAL A 75 20.113 3.230 11.678 1.00 0.01 H new ATOM 0 HB VAL A 75 21.685 4.460 13.127 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.342 3.106 15.182 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.888 3.090 14.156 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.975 1.681 14.180 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.614 3.272 14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.261 1.844 13.138 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.776 3.364 12.369 1.00 0.00 H new ATOM 1164 N GLN A 76 22.753 2.661 9.945 1.00 0.01 N ATOM 1165 CA GLN A 76 23.572 3.141 8.791 1.00 0.01 C ATOM 1166 C GLN A 76 22.885 2.728 7.488 1.00 0.01 C ATOM 1167 O GLN A 76 23.375 2.975 6.405 1.00 0.01 O ATOM 1168 CB GLN A 76 24.958 2.498 8.853 1.00 0.00 C ATOM 1169 CG GLN A 76 25.731 3.075 10.040 1.00 0.01 C ATOM 1170 CD GLN A 76 27.121 2.438 10.112 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.997 2.939 10.789 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.362 1.345 9.441 1.00 0.01 N ATOM 0 H GLN A 76 22.875 1.675 10.177 1.00 0.01 H new ATOM 0 HA GLN A 76 23.669 4.226 8.833 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.866 1.417 8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.500 2.685 7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.821 4.156 9.936 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.187 2.888 10.966 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.628 0.923 8.872 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.285 0.912 9.485 1.00 0.01 H new ATOM 1181 N ALA A 77 21.749 2.094 7.593 1.00 0.01 N ATOM 1182 CA ALA A 77 21.014 1.653 6.373 1.00 0.00 C ATOM 1183 C ALA A 77 20.954 2.801 5.363 1.00 0.01 C ATOM 1184 O ALA A 77 20.781 3.949 5.723 1.00 0.00 O ATOM 1185 CB ALA A 77 19.591 1.250 6.767 1.00 0.00 C ATOM 0 H ALA A 77 21.296 1.861 8.477 1.00 0.01 H new ATOM 0 HA ALA A 77 21.530 0.805 5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.046 0.926 5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.631 0.433 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.082 2.104 7.214 1.00 0.00 H new ATOM 1191 N THR A 78 21.092 2.505 4.096 1.00 0.01 N ATOM 1192 CA THR A 78 21.038 3.588 3.073 1.00 0.01 C ATOM 1193 C THR A 78 19.604 4.109 2.999 1.00 0.01 C ATOM 1194 O THR A 78 19.355 5.227 2.594 1.00 0.00 O ATOM 1195 CB THR A 78 21.450 3.031 1.707 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.424 2.178 1.215 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.748 2.238 1.847 1.00 0.01 C ATOM 0 H THR A 78 21.239 1.565 3.729 1.00 0.01 H new ATOM 0 HA THR A 78 21.719 4.394 3.346 1.00 0.01 H new ATOM 0 HB THR A 78 21.604 3.856 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 78 20.686 1.822 0.340 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.039 1.842 0.874 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.535 2.892 2.224 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.597 1.413 2.544 1.00 0.01 H new ATOM 1205 N LYS A 79 18.661 3.298 3.404 1.00 0.00 N ATOM 1206 CA LYS A 79 17.227 3.716 3.392 1.00 0.00 C ATOM 1207 C LYS A 79 16.585 3.303 4.717 1.00 0.00 C ATOM 1208 O LYS A 79 15.927 2.287 4.819 1.00 0.00 O ATOM 1209 CB LYS A 79 16.497 3.030 2.227 1.00 0.00 C ATOM 1210 CG LYS A 79 16.942 1.567 2.118 1.00 0.00 C ATOM 1211 CD LYS A 79 16.199 0.890 0.966 1.00 0.01 C ATOM 1212 CE LYS A 79 16.539 -0.600 0.948 1.00 0.00 C ATOM 1213 NZ LYS A 79 17.942 -0.780 0.485 1.00 0.00 N ATOM 0 H LYS A 79 18.826 2.352 3.747 1.00 0.00 H new ATOM 0 HA LYS A 79 17.156 4.796 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.419 3.080 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.710 3.554 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.018 1.515 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.739 1.044 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.124 1.027 1.082 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.479 1.350 0.018 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.416 -1.025 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.855 -1.133 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.154 -1.795 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.061 -0.329 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.592 -0.342 1.169 1.00 0.00 H new ATOM 1227 N GLU A 80 16.774 4.087 5.738 1.00 0.00 N ATOM 1228 CA GLU A 80 16.185 3.746 7.061 1.00 0.00 C ATOM 1229 C GLU A 80 14.662 3.686 6.957 1.00 0.00 C ATOM 1230 O GLU A 80 14.046 4.458 6.248 1.00 0.00 O ATOM 1231 CB GLU A 80 16.589 4.810 8.082 1.00 0.00 C ATOM 1232 CG GLU A 80 18.080 4.673 8.395 1.00 0.00 C ATOM 1233 CD GLU A 80 18.487 5.736 9.416 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.681 6.615 9.679 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.591 5.650 9.925 1.00 0.01 O ATOM 0 H GLU A 80 17.313 4.953 5.714 1.00 0.00 H new ATOM 0 HA GLU A 80 16.555 2.772 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.378 5.805 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.003 4.696 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.290 3.678 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.666 4.787 7.483 1.00 0.00 H new ATOM 1242 N VAL A 81 14.046 2.778 7.667 1.00 0.00 N ATOM 1243 CA VAL A 81 12.559 2.671 7.624 1.00 0.00 C ATOM 1244 C VAL A 81 11.980 3.530 8.744 1.00 0.00 C ATOM 1245 O VAL A 81 12.541 3.628 9.817 1.00 0.00 O ATOM 1246 CB VAL A 81 12.136 1.208 7.822 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.313 0.437 6.507 1.00 0.00 C ATOM 1248 CG2 VAL A 81 13.006 0.571 8.909 1.00 0.00 C ATOM 0 H VAL A 81 14.510 2.104 8.276 1.00 0.00 H new ATOM 0 HA VAL A 81 12.189 3.015 6.658 1.00 0.00 H new ATOM 0 HB VAL A 81 11.089 1.171 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.012 -0.601 6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.694 0.891 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.359 0.473 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.708 -0.468 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.053 0.610 8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.878 1.117 9.844 1.00 0.00 H new ATOM 1258 N ASN A 82 10.871 4.165 8.501 1.00 0.00 N ATOM 1259 CA ASN A 82 10.274 5.027 9.553 1.00 0.00 C ATOM 1260 C ASN A 82 9.712 4.142 10.663 1.00 0.00 C ATOM 1261 O ASN A 82 8.612 3.639 10.575 1.00 0.00 O ATOM 1262 CB ASN A 82 9.151 5.867 8.941 1.00 0.00 C ATOM 1263 CG ASN A 82 8.331 4.998 7.987 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.982 3.880 8.311 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.009 5.466 6.813 1.00 0.00 N ATOM 0 H ASN A 82 10.354 4.125 7.623 1.00 0.00 H new ATOM 0 HA ASN A 82 11.034 5.690 9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.511 6.267 9.727 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.569 6.719 8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.465 4.894 6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.302 6.404 6.540 1.00 0.00 H new ATOM 1272 N LEU A 83 10.467 3.953 11.711 1.00 0.00 N ATOM 1273 CA LEU A 83 9.996 3.105 12.844 1.00 0.00 C ATOM 1274 C LEU A 83 10.436 3.745 14.158 1.00 0.00 C ATOM 1275 O LEU A 83 11.371 4.521 14.198 1.00 0.00 O ATOM 1276 CB LEU A 83 10.613 1.706 12.732 1.00 0.01 C ATOM 1277 CG LEU A 83 10.040 0.962 11.515 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.790 -0.364 11.335 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.537 0.679 11.717 1.00 0.00 C ATOM 0 H LEU A 83 11.398 4.353 11.832 1.00 0.00 H new ATOM 0 HA LEU A 83 8.909 3.024 12.814 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.696 1.786 12.640 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.411 1.139 13.641 1.00 0.01 H new ATOM 0 HG LEU A 83 10.164 1.583 10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.387 -0.896 10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.850 -0.164 11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.667 -0.976 12.229 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.146 0.152 10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.399 0.064 12.606 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.003 1.621 11.841 1.00 0.00 H new ATOM 1291 N ASP A 84 9.770 3.435 15.234 1.00 0.01 N ATOM 1292 CA ASP A 84 10.155 4.036 16.539 1.00 0.00 C ATOM 1293 C ASP A 84 11.444 3.383 17.043 1.00 0.00 C ATOM 1294 O ASP A 84 11.908 2.400 16.500 1.00 0.00 O ATOM 1295 CB ASP A 84 9.030 3.822 17.554 1.00 0.00 C ATOM 1296 CG ASP A 84 8.868 2.328 17.836 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.402 1.544 17.073 1.00 0.00 O ATOM 1298 OD2 ASP A 84 8.214 1.996 18.810 1.00 0.01 O ATOM 0 H ASP A 84 8.978 2.793 15.266 1.00 0.01 H new ATOM 0 HA ASP A 84 10.322 5.106 16.412 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.255 4.354 18.478 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.097 4.233 17.169 1.00 0.00 H new ATOM 1303 N SER A 85 12.028 3.931 18.072 1.00 0.00 N ATOM 1304 CA SER A 85 13.297 3.361 18.614 1.00 0.01 C ATOM 1305 C SER A 85 13.025 2.014 19.290 1.00 0.01 C ATOM 1306 O SER A 85 13.925 1.227 19.505 1.00 0.00 O ATOM 1307 CB SER A 85 13.887 4.331 19.638 1.00 0.01 C ATOM 1308 OG SER A 85 14.147 5.576 19.007 1.00 0.00 O ATOM 0 H SER A 85 11.680 4.754 18.565 1.00 0.00 H new ATOM 0 HA SER A 85 14.000 3.211 17.794 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.194 4.468 20.468 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.807 3.922 20.056 1.00 0.01 H new ATOM 0 HG SER A 85 14.524 6.202 19.661 1.00 0.00 H new ATOM 1314 N CYS A 86 11.797 1.744 19.642 1.00 0.01 N ATOM 1315 CA CYS A 86 11.484 0.452 20.317 1.00 0.01 C ATOM 1316 C CYS A 86 11.338 -0.661 19.277 1.00 0.00 C ATOM 1317 O CYS A 86 11.844 -1.751 19.450 1.00 0.01 O ATOM 1318 CB CYS A 86 10.178 0.594 21.102 1.00 0.01 C ATOM 1319 SG CYS A 86 9.925 -0.879 22.125 1.00 0.01 S ATOM 0 H CYS A 86 10.999 2.361 19.492 1.00 0.01 H new ATOM 0 HA CYS A 86 12.296 0.197 20.998 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.214 1.484 21.730 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.341 0.721 20.416 1.00 0.01 H new ATOM 0 HG CYS A 86 8.817 -0.758 22.794 1.00 0.01 H new ATOM 1325 N THR A 87 10.653 -0.403 18.199 1.00 0.00 N ATOM 1326 CA THR A 87 10.488 -1.460 17.161 1.00 0.00 C ATOM 1327 C THR A 87 11.862 -1.874 16.631 1.00 0.00 C ATOM 1328 O THR A 87 12.163 -3.047 16.512 1.00 0.01 O ATOM 1329 CB THR A 87 9.651 -0.916 16.004 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.376 -0.528 16.490 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.481 -2.000 14.940 1.00 0.00 C ATOM 0 H THR A 87 10.202 0.488 17.991 1.00 0.00 H new ATOM 0 HA THR A 87 9.988 -2.322 17.603 1.00 0.00 H new ATOM 0 HB THR A 87 10.154 -0.054 15.565 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.722 -1.229 16.289 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.884 -1.610 14.116 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.460 -2.301 14.568 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.978 -2.863 15.377 1.00 0.00 H new ATOM 1339 N ARG A 88 12.698 -0.922 16.305 1.00 0.01 N ATOM 1340 CA ARG A 88 14.047 -1.270 15.775 1.00 0.00 C ATOM 1341 C ARG A 88 14.800 -2.088 16.823 1.00 0.00 C ATOM 1342 O ARG A 88 15.320 -3.150 16.546 1.00 0.01 O ATOM 1343 CB ARG A 88 14.822 0.018 15.486 1.00 0.00 C ATOM 1344 CG ARG A 88 14.205 0.730 14.282 1.00 0.00 C ATOM 1345 CD ARG A 88 14.984 2.014 13.999 1.00 0.00 C ATOM 1346 NE ARG A 88 14.898 2.913 15.182 1.00 0.01 N ATOM 1347 CZ ARG A 88 15.726 3.911 15.302 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.655 4.100 14.406 1.00 0.00 N ATOM 1349 NH2 ARG A 88 15.627 4.719 16.322 1.00 0.01 N ATOM 0 H ARG A 88 12.505 0.076 16.383 1.00 0.01 H new ATOM 0 HA ARG A 88 13.946 -1.850 14.858 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.799 0.671 16.358 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.869 -0.212 15.288 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.227 0.078 13.409 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.159 0.962 14.480 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.026 1.780 13.781 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.578 2.513 13.119 1.00 0.00 H new ATOM 0 HE ARG A 88 14.191 2.748 15.898 1.00 0.01 H new ATOM 0 HH11 ARG A 88 16.733 3.466 13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.303 4.882 14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.902 4.568 17.024 1.00 0.01 H new ATOM 0 HH22 ARG A 88 16.275 5.501 16.418 1.00 0.01 H new ATOM 1363 N GLU A 89 14.843 -1.606 18.034 1.00 0.01 N ATOM 1364 CA GLU A 89 15.540 -2.356 19.110 1.00 0.01 C ATOM 1365 C GLU A 89 14.835 -3.698 19.305 1.00 0.01 C ATOM 1366 O GLU A 89 15.457 -4.719 19.517 1.00 0.00 O ATOM 1367 CB GLU A 89 15.494 -1.552 20.411 1.00 0.01 C ATOM 1368 CG GLU A 89 16.350 -0.291 20.258 1.00 0.01 C ATOM 1369 CD GLU A 89 17.829 -0.673 20.188 1.00 0.01 C ATOM 1370 OE1 GLU A 89 18.167 -1.748 20.656 1.00 0.01 O ATOM 1371 OE2 GLU A 89 18.600 0.117 19.669 1.00 0.01 O ATOM 0 H GLU A 89 14.424 -0.722 18.323 1.00 0.01 H new ATOM 0 HA GLU A 89 16.582 -2.521 18.835 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.465 -1.280 20.648 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.863 -2.157 21.239 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.061 0.248 19.356 1.00 0.01 H new ATOM 0 HG3 GLU A 89 16.178 0.380 21.099 1.00 0.01 H new ATOM 1378 N GLU A 90 13.533 -3.699 19.243 1.00 0.00 N ATOM 1379 CA GLU A 90 12.780 -4.968 19.431 1.00 0.01 C ATOM 1380 C GLU A 90 13.198 -5.976 18.364 1.00 0.01 C ATOM 1381 O GLU A 90 13.382 -7.143 18.645 1.00 0.01 O ATOM 1382 CB GLU A 90 11.280 -4.693 19.325 1.00 0.01 C ATOM 1383 CG GLU A 90 10.514 -5.993 19.559 1.00 0.00 C ATOM 1384 CD GLU A 90 9.024 -5.687 19.701 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.668 -4.524 19.616 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.263 -6.622 19.893 1.00 0.00 O ATOM 0 H GLU A 90 12.958 -2.875 19.070 1.00 0.00 H new ATOM 0 HA GLU A 90 13.001 -5.378 20.416 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.983 -3.944 20.059 1.00 0.01 H new ATOM 0 HB3 GLU A 90 11.041 -4.288 18.342 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.678 -6.679 18.728 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.882 -6.488 20.458 1.00 0.00 H new ATOM 1393 N THR A 91 13.360 -5.546 17.144 1.00 0.01 N ATOM 1394 CA THR A 91 13.780 -6.501 16.086 1.00 0.01 C ATOM 1395 C THR A 91 15.168 -7.034 16.448 1.00 0.01 C ATOM 1396 O THR A 91 15.453 -8.204 16.299 1.00 0.01 O ATOM 1397 CB THR A 91 13.829 -5.781 14.731 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.546 -5.244 14.441 1.00 0.00 O ATOM 1399 CG2 THR A 91 14.216 -6.768 13.623 1.00 0.01 C ATOM 0 H THR A 91 13.221 -4.583 16.837 1.00 0.01 H new ATOM 0 HA THR A 91 13.071 -7.326 16.015 1.00 0.01 H new ATOM 0 HB THR A 91 14.570 -4.983 14.779 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.363 -4.491 15.041 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.248 -6.247 12.666 1.00 0.01 H new ATOM 0 HG22 THR A 91 15.197 -7.191 13.839 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.478 -7.569 13.575 1.00 0.01 H new ATOM 1407 N SER A 92 16.030 -6.177 16.930 1.00 0.01 N ATOM 1408 CA SER A 92 17.399 -6.629 17.310 1.00 0.01 C ATOM 1409 C SER A 92 17.301 -7.663 18.434 1.00 0.01 C ATOM 1410 O SER A 92 17.989 -8.665 18.430 1.00 0.00 O ATOM 1411 CB SER A 92 18.223 -5.433 17.790 1.00 0.01 C ATOM 1412 OG SER A 92 17.730 -4.995 19.048 1.00 0.01 O ATOM 0 H SER A 92 15.844 -5.185 17.076 1.00 0.01 H new ATOM 0 HA SER A 92 17.884 -7.077 16.443 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.273 -5.712 17.876 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.166 -4.623 17.063 1.00 0.01 H new ATOM 0 HG SER A 92 16.757 -4.890 18.999 1.00 0.01 H new ATOM 1418 N ARG A 93 16.450 -7.431 19.398 1.00 0.01 N ATOM 1419 CA ARG A 93 16.311 -8.406 20.515 1.00 0.01 C ATOM 1420 C ARG A 93 15.676 -9.691 19.984 1.00 0.01 C ATOM 1421 O ARG A 93 15.974 -10.779 20.434 1.00 0.01 O ATOM 1422 CB ARG A 93 15.433 -7.821 21.630 1.00 0.00 C ATOM 1423 CG ARG A 93 16.175 -6.679 22.337 1.00 0.01 C ATOM 1424 CD ARG A 93 15.510 -6.382 23.685 1.00 0.01 C ATOM 1425 NE ARG A 93 14.083 -5.953 23.486 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.773 -4.877 22.819 1.00 0.01 C ATOM 1427 NH1 ARG A 93 14.705 -4.077 22.382 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.518 -4.581 22.617 1.00 0.01 N ATOM 0 H ARG A 93 15.847 -6.610 19.459 1.00 0.01 H new ATOM 0 HA ARG A 93 17.298 -8.621 20.925 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.496 -7.453 21.211 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.177 -8.599 22.349 1.00 0.00 H new ATOM 0 HG2 ARG A 93 17.219 -6.951 22.489 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.166 -5.786 21.712 1.00 0.01 H new ATOM 0 HD2 ARG A 93 15.544 -7.269 24.317 1.00 0.01 H new ATOM 0 HD3 ARG A 93 16.062 -5.599 24.205 1.00 0.01 H new ATOM 0 HE ARG A 93 13.335 -6.521 23.885 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.686 -4.291 22.561 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.453 -3.237 21.861 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.785 -5.191 22.980 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.270 -3.740 22.096 1.00 0.01 H new ATOM 1442 N ASN A 94 14.795 -9.569 19.030 1.00 0.01 N ATOM 1443 CA ASN A 94 14.130 -10.776 18.467 1.00 0.01 C ATOM 1444 C ASN A 94 15.178 -11.656 17.780 1.00 0.01 C ATOM 1445 O ASN A 94 14.943 -12.816 17.501 1.00 0.01 O ATOM 1446 CB ASN A 94 13.071 -10.344 17.452 1.00 0.01 C ATOM 1447 CG ASN A 94 11.963 -9.566 18.171 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.261 -8.785 17.560 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.778 -9.746 19.451 1.00 0.01 N ATOM 0 H ASN A 94 14.507 -8.683 18.615 1.00 0.01 H new ATOM 0 HA ASN A 94 13.652 -11.341 19.267 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.524 -9.723 16.679 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.652 -11.218 16.953 1.00 0.01 H new ATOM 0 HD21 ASN A 94 11.044 -9.231 19.938 1.00 0.01 H new ATOM 0 HD22 ASN A 94 12.367 -10.402 19.964 1.00 0.01 H new ATOM 1456 N MET A 95 16.332 -11.114 17.513 1.00 0.01 N ATOM 1457 CA MET A 95 17.398 -11.920 16.853 1.00 0.01 C ATOM 1458 C MET A 95 17.735 -13.113 17.740 1.00 0.01 C ATOM 1459 O MET A 95 18.000 -14.198 17.263 1.00 0.01 O ATOM 1460 CB MET A 95 18.646 -11.058 16.649 1.00 0.01 C ATOM 1461 CG MET A 95 18.329 -9.916 15.679 1.00 0.01 C ATOM 1462 SD MET A 95 17.903 -10.600 14.055 1.00 0.01 S ATOM 1463 CE MET A 95 18.860 -9.457 13.034 1.00 0.01 C ATOM 0 H MET A 95 16.584 -10.148 17.723 1.00 0.01 H new ATOM 0 HA MET A 95 17.048 -12.270 15.882 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.982 -10.654 17.604 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.460 -11.667 16.256 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.501 -9.319 16.062 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.188 -9.251 15.591 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.418 -9.400 12.039 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.853 -8.467 13.491 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.887 -9.813 12.955 1.00 0.01 H new ATOM 1473 N LEU A 96 17.721 -12.923 19.027 1.00 0.01 N ATOM 1474 CA LEU A 96 18.027 -14.049 19.947 1.00 0.01 C ATOM 1475 C LEU A 96 16.887 -15.067 19.860 1.00 0.01 C ATOM 1476 O LEU A 96 17.085 -16.257 20.001 1.00 0.01 O ATOM 1477 CB LEU A 96 18.137 -13.525 21.382 1.00 0.01 C ATOM 1478 CG LEU A 96 19.434 -12.726 21.554 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.426 -11.499 20.631 1.00 0.01 C ATOM 1480 CD2 LEU A 96 19.552 -12.269 23.012 1.00 0.01 C ATOM 0 H LEU A 96 17.510 -12.035 19.482 1.00 0.01 H new ATOM 0 HA LEU A 96 18.971 -14.516 19.667 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.279 -12.894 21.614 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.119 -14.359 22.084 1.00 0.01 H new ATOM 0 HG LEU A 96 20.283 -13.358 21.293 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.352 -10.939 20.762 1.00 0.01 H new ATOM 0 HD12 LEU A 96 19.342 -11.824 19.594 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.578 -10.861 20.881 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.473 -11.700 23.142 1.00 0.01 H new ATOM 0 HD22 LEU A 96 18.698 -11.641 23.267 1.00 0.01 H new ATOM 0 HD23 LEU A 96 19.569 -13.141 23.666 1.00 0.01 H new ATOM 1492 N GLU A 97 15.688 -14.596 19.627 1.00 0.01 N ATOM 1493 CA GLU A 97 14.509 -15.509 19.524 1.00 0.01 C ATOM 1494 C GLU A 97 13.602 -15.015 18.385 1.00 0.01 C ATOM 1495 O GLU A 97 12.560 -14.439 18.628 1.00 0.01 O ATOM 1496 CB GLU A 97 13.725 -15.479 20.839 1.00 0.01 C ATOM 1497 CG GLU A 97 14.633 -15.905 21.997 1.00 0.01 C ATOM 1498 CD GLU A 97 15.103 -17.344 21.779 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.261 -18.190 21.531 1.00 0.01 O ATOM 1500 OE2 GLU A 97 16.297 -17.575 21.867 1.00 0.01 O ATOM 0 H GLU A 97 15.474 -13.607 19.502 1.00 0.01 H new ATOM 0 HA GLU A 97 14.844 -16.527 19.324 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.338 -14.476 21.019 1.00 0.01 H new ATOM 0 HB3 GLU A 97 12.865 -16.146 20.775 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.492 -15.237 22.063 1.00 0.01 H new ATOM 0 HG3 GLU A 97 14.095 -15.827 22.942 1.00 0.01 H new ATOM 1507 N PRO A 98 14.002 -15.223 17.150 1.00 0.01 N ATOM 1508 CA PRO A 98 13.195 -14.762 15.985 1.00 0.01 C ATOM 1509 C PRO A 98 11.855 -15.500 15.877 1.00 0.01 C ATOM 1510 O PRO A 98 11.794 -16.711 15.954 1.00 0.01 O ATOM 1511 CB PRO A 98 14.119 -15.080 14.784 1.00 0.00 C ATOM 1512 CG PRO A 98 15.437 -15.671 15.327 1.00 0.01 C ATOM 1513 CD PRO A 98 15.272 -15.928 16.834 1.00 0.01 C ATOM 0 HA PRO A 98 12.916 -13.711 16.053 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.635 -15.787 14.110 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.317 -14.176 14.208 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.678 -16.599 14.809 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.263 -14.982 15.148 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.210 -16.993 17.059 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.109 -15.529 17.407 1.00 0.01 H new ATOM 1521 N THR A 99 10.786 -14.770 15.693 1.00 0.01 N ATOM 1522 CA THR A 99 9.435 -15.399 15.568 1.00 0.01 C ATOM 1523 C THR A 99 8.742 -14.843 14.324 1.00 0.01 C ATOM 1524 O THR A 99 9.194 -13.886 13.728 1.00 0.01 O ATOM 1525 CB THR A 99 8.599 -15.061 16.804 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.453 -13.651 16.903 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.297 -15.594 18.057 1.00 0.00 C ATOM 0 H THR A 99 10.791 -13.752 15.623 1.00 0.01 H new ATOM 0 HA THR A 99 9.539 -16.481 15.484 1.00 0.01 H new ATOM 0 HB THR A 99 7.616 -15.523 16.716 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.500 -13.421 16.924 1.00 0.01 H new ATOM 0 HG21 THR A 99 8.700 -15.352 18.937 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.408 -16.676 17.980 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.281 -15.134 18.149 1.00 0.00 H new ATOM 1535 N ILE A 100 7.647 -15.429 13.932 1.00 0.00 N ATOM 1536 CA ILE A 100 6.927 -14.926 12.728 1.00 0.01 C ATOM 1537 C ILE A 100 6.255 -13.594 13.061 1.00 0.01 C ATOM 1538 O ILE A 100 5.933 -12.811 12.190 1.00 0.01 O ATOM 1539 CB ILE A 100 5.871 -15.951 12.301 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.271 -15.546 10.943 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.759 -16.011 13.353 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.342 -15.603 9.842 1.00 0.01 C ATOM 0 H ILE A 100 7.219 -16.233 14.391 1.00 0.00 H new ATOM 0 HA ILE A 100 7.633 -14.778 11.911 1.00 0.01 H new ATOM 0 HB ILE A 100 6.339 -16.931 12.210 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.446 -16.212 10.690 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.860 -14.539 11.007 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.009 -16.740 13.048 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.182 -16.306 14.313 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.294 -15.030 13.447 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.900 -15.314 8.889 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.154 -14.918 10.088 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.733 -16.618 9.767 1.00 0.01 H new ATOM 1554 N THR A 101 6.038 -13.331 14.321 1.00 0.00 N ATOM 1555 CA THR A 101 5.381 -12.052 14.720 1.00 0.01 C ATOM 1556 C THR A 101 6.451 -11.002 15.027 1.00 0.01 C ATOM 1557 O THR A 101 6.150 -9.882 15.386 1.00 0.01 O ATOM 1558 CB THR A 101 4.532 -12.294 15.970 1.00 0.01 C ATOM 1559 OG1 THR A 101 5.374 -12.682 17.043 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.516 -13.403 15.689 1.00 0.01 C ATOM 0 H THR A 101 6.288 -13.948 15.094 1.00 0.00 H new ATOM 0 HA THR A 101 4.748 -11.696 13.908 1.00 0.01 H new ATOM 0 HB THR A 101 4.004 -11.378 16.236 1.00 0.01 H new ATOM 0 HG1 THR A 101 4.832 -12.836 17.845 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.911 -13.576 16.579 1.00 0.01 H new ATOM 0 HG22 THR A 101 2.870 -13.104 14.863 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.042 -14.320 15.424 1.00 0.01 H new ATOM 1568 N CYS A 102 7.698 -11.358 14.892 1.00 0.00 N ATOM 1569 CA CYS A 102 8.789 -10.385 15.179 1.00 0.00 C ATOM 1570 C CYS A 102 8.674 -9.173 14.243 1.00 0.01 C ATOM 1571 O CYS A 102 8.844 -8.045 14.660 1.00 0.01 O ATOM 1572 CB CYS A 102 10.144 -11.068 14.978 1.00 0.00 C ATOM 1573 SG CYS A 102 11.459 -9.823 14.986 1.00 0.01 S ATOM 0 H CYS A 102 8.009 -12.283 14.595 1.00 0.00 H new ATOM 0 HA CYS A 102 8.703 -10.042 16.210 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.316 -11.798 15.769 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.151 -11.613 14.034 1.00 0.00 H new ATOM 0 HG CYS A 102 11.274 -9.003 15.977 1.00 0.01 H new ATOM 1579 N PHE A 103 8.396 -9.394 12.981 1.00 0.00 N ATOM 1580 CA PHE A 103 8.283 -8.244 12.025 1.00 0.01 C ATOM 1581 C PHE A 103 6.819 -7.813 11.883 1.00 0.01 C ATOM 1582 O PHE A 103 6.529 -6.760 11.355 1.00 0.00 O ATOM 1583 CB PHE A 103 8.821 -8.664 10.654 1.00 0.00 C ATOM 1584 CG PHE A 103 10.329 -8.769 10.716 1.00 0.00 C ATOM 1585 CD1 PHE A 103 10.926 -9.800 11.450 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.130 -7.841 10.038 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.320 -9.905 11.508 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.526 -7.944 10.096 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.121 -8.977 10.833 1.00 0.00 C ATOM 0 H PHE A 103 8.243 -10.316 12.572 1.00 0.00 H new ATOM 0 HA PHE A 103 8.865 -7.407 12.411 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.391 -9.621 10.360 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.527 -7.937 9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.309 -10.516 11.973 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.671 -7.045 9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 103 12.778 -10.703 12.074 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.143 -7.228 9.573 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.197 -9.057 10.880 1.00 0.00 H new ATOM 1599 N ASP A 104 5.892 -8.602 12.355 1.00 0.01 N ATOM 1600 CA ASP A 104 4.462 -8.196 12.237 1.00 0.01 C ATOM 1601 C ASP A 104 4.270 -6.876 12.973 1.00 0.00 C ATOM 1602 O ASP A 104 3.569 -5.994 12.520 1.00 0.01 O ATOM 1603 CB ASP A 104 3.554 -9.263 12.847 1.00 0.01 C ATOM 1604 CG ASP A 104 3.528 -10.489 11.932 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.008 -10.378 10.814 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.023 -11.514 12.358 1.00 0.00 O ATOM 0 H ASP A 104 6.059 -9.499 12.812 1.00 0.01 H new ATOM 0 HA ASP A 104 4.201 -8.082 11.185 1.00 0.01 H new ATOM 0 HB2 ASP A 104 3.915 -9.542 13.837 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.546 -8.869 12.975 1.00 0.01 H new ATOM 1611 N GLU A 105 4.901 -6.730 14.103 1.00 0.00 N ATOM 1612 CA GLU A 105 4.772 -5.464 14.868 1.00 0.00 C ATOM 1613 C GLU A 105 5.295 -4.325 13.999 1.00 0.00 C ATOM 1614 O GLU A 105 4.761 -3.234 13.996 1.00 0.01 O ATOM 1615 CB GLU A 105 5.594 -5.558 16.153 1.00 0.00 C ATOM 1616 CG GLU A 105 5.453 -4.260 16.953 1.00 0.00 C ATOM 1617 CD GLU A 105 6.249 -4.379 18.251 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.705 -5.471 18.539 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.389 -3.378 18.933 1.00 0.00 O ATOM 0 H GLU A 105 5.502 -7.436 14.529 1.00 0.00 H new ATOM 0 HA GLU A 105 3.730 -5.284 15.131 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.255 -6.404 16.751 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.642 -5.736 15.913 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.816 -3.416 16.366 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.403 -4.067 17.173 1.00 0.00 H new ATOM 1626 N ALA A 106 6.339 -4.571 13.258 1.00 0.00 N ATOM 1627 CA ALA A 106 6.895 -3.505 12.390 1.00 0.00 C ATOM 1628 C ALA A 106 5.898 -3.201 11.273 1.00 0.00 C ATOM 1629 O ALA A 106 5.679 -2.061 10.927 1.00 0.00 O ATOM 1630 CB ALA A 106 8.221 -3.976 11.789 1.00 0.00 C ATOM 0 H ALA A 106 6.829 -5.465 13.218 1.00 0.00 H new ATOM 0 HA ALA A 106 7.070 -2.603 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.630 -3.193 11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.926 -4.196 12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.053 -4.875 11.197 1.00 0.00 H new ATOM 1636 N GLN A 107 5.268 -4.203 10.720 1.00 0.00 N ATOM 1637 CA GLN A 107 4.269 -3.933 9.649 1.00 0.00 C ATOM 1638 C GLN A 107 3.177 -3.043 10.235 1.00 0.00 C ATOM 1639 O GLN A 107 2.686 -2.133 9.595 1.00 0.00 O ATOM 1640 CB GLN A 107 3.641 -5.238 9.150 1.00 0.00 C ATOM 1641 CG GLN A 107 2.708 -4.927 7.971 1.00 0.00 C ATOM 1642 CD GLN A 107 2.003 -6.204 7.513 1.00 0.00 C ATOM 1643 OE1 GLN A 107 1.340 -6.857 8.293 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.120 -6.591 6.273 1.00 0.00 N ATOM 0 H GLN A 107 5.400 -5.185 10.961 1.00 0.00 H new ATOM 0 HA GLN A 107 4.761 -3.446 8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.419 -5.935 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.084 -5.719 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.971 -4.181 8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.280 -4.501 7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.677 -6.042 5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.655 -7.442 5.958 1.00 0.00 H new ATOM 1653 N LYS A 108 2.792 -3.309 11.452 1.00 0.00 N ATOM 1654 CA LYS A 108 1.727 -2.494 12.095 1.00 0.00 C ATOM 1655 C LYS A 108 2.186 -1.036 12.143 1.00 0.00 C ATOM 1656 O LYS A 108 1.416 -0.126 11.909 1.00 0.00 O ATOM 1657 CB LYS A 108 1.489 -3.010 13.517 1.00 0.00 C ATOM 1658 CG LYS A 108 0.322 -2.254 14.153 1.00 0.00 C ATOM 1659 CD LYS A 108 0.090 -2.776 15.574 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.077 -2.022 16.211 1.00 0.00 C ATOM 1661 NZ LYS A 108 -1.182 -2.400 17.648 1.00 0.00 N ATOM 0 H LYS A 108 3.171 -4.059 12.030 1.00 0.00 H new ATOM 0 HA LYS A 108 0.800 -2.568 11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.274 -4.078 13.495 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.390 -2.879 14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.537 -1.186 14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.579 -2.385 13.554 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.124 -3.845 15.550 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.991 -2.645 16.173 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -0.925 -0.947 16.116 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.005 -2.260 15.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.975 -1.888 18.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.345 -3.424 17.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.299 -2.152 18.138 1.00 0.00 H new ATOM 1675 N LYS A 109 3.437 -0.806 12.434 1.00 0.01 N ATOM 1676 CA LYS A 109 3.937 0.594 12.476 1.00 0.00 C ATOM 1677 C LYS A 109 3.896 1.183 11.064 1.00 0.00 C ATOM 1678 O LYS A 109 3.546 2.330 10.873 1.00 0.00 O ATOM 1679 CB LYS A 109 5.381 0.614 12.987 1.00 0.00 C ATOM 1680 CG LYS A 109 5.450 0.048 14.413 1.00 0.00 C ATOM 1681 CD LYS A 109 4.707 0.970 15.391 1.00 0.01 C ATOM 1682 CE LYS A 109 5.193 0.709 16.818 1.00 0.00 C ATOM 1683 NZ LYS A 109 6.632 1.076 16.923 1.00 0.01 N ATOM 0 H LYS A 109 4.130 -1.524 12.643 1.00 0.01 H new ATOM 0 HA LYS A 109 3.309 1.183 13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.017 0.027 12.324 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.764 1.634 12.975 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.010 -0.949 14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.491 -0.056 14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.878 2.013 15.124 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.633 0.796 15.325 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.605 1.292 17.527 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.054 -0.341 17.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.844 1.375 17.896 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 7.219 0.253 16.678 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.840 1.856 16.268 1.00 0.01 H new ATOM 1697 N ILE A 110 4.246 0.408 10.072 1.00 0.00 N ATOM 1698 CA ILE A 110 4.216 0.936 8.680 1.00 0.00 C ATOM 1699 C ILE A 110 2.759 1.134 8.260 1.00 0.00 C ATOM 1700 O ILE A 110 2.410 2.118 7.639 1.00 0.00 O ATOM 1701 CB ILE A 110 4.896 -0.065 7.739 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.359 -0.280 8.167 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.850 0.460 6.300 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.124 1.052 8.220 1.00 0.00 C ATOM 0 H ILE A 110 4.549 -0.561 10.166 1.00 0.00 H new ATOM 0 HA ILE A 110 4.746 1.887 8.630 1.00 0.00 H new ATOM 0 HB ILE A 110 4.366 -1.016 7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.388 -0.758 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.850 -0.957 7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.335 -0.256 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.812 0.593 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.370 1.416 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.154 0.868 8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.115 1.516 7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.646 1.718 8.939 1.00 0.00 H new ATOM 1716 N PHE A 111 1.898 0.215 8.610 1.00 0.00 N ATOM 1717 CA PHE A 111 0.462 0.369 8.249 1.00 0.00 C ATOM 1718 C PHE A 111 -0.077 1.642 8.917 1.00 0.00 C ATOM 1719 O PHE A 111 -0.720 2.460 8.290 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.334 -0.866 8.743 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.529 -1.861 7.616 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.529 -2.164 6.750 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.779 -2.472 7.430 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.339 -3.073 5.704 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -1.966 -3.381 6.384 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.911 -3.679 5.522 1.00 0.00 C ATOM 0 H PHE A 111 2.128 -0.633 9.129 1.00 0.00 H new ATOM 0 HA PHE A 111 0.353 0.446 7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.197 -1.342 9.567 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.303 -0.550 9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.492 -1.696 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.597 -2.240 8.096 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.155 -3.308 5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.928 -3.852 6.244 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.058 -4.378 4.712 1.00 0.00 H new ATOM 1736 N ASN A 112 0.168 1.806 10.187 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.341 3.013 10.898 1.00 0.00 C ATOM 1738 C ASN A 112 0.218 4.288 10.265 1.00 0.00 C ATOM 1739 O ASN A 112 -0.482 5.263 10.109 1.00 0.00 O ATOM 1740 CB ASN A 112 0.079 2.955 12.370 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.747 1.891 13.096 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.835 1.557 12.671 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.276 1.346 14.185 1.00 0.00 N ATOM 0 H ASN A 112 0.700 1.155 10.765 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.428 3.028 10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.141 2.721 12.447 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.068 3.928 12.840 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -0.822 0.640 14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.637 1.626 14.542 1.00 0.00 H new ATOM 1750 N LEU A 113 1.470 4.299 9.904 1.00 0.00 N ATOM 1751 CA LEU A 113 2.047 5.531 9.294 1.00 0.00 C ATOM 1752 C LEU A 113 1.315 5.859 7.992 1.00 0.00 C ATOM 1753 O LEU A 113 0.746 6.922 7.839 1.00 0.00 O ATOM 1754 CB LEU A 113 3.534 5.296 8.999 1.00 0.00 C ATOM 1755 CG LEU A 113 4.144 6.515 8.289 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.990 7.770 9.163 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.631 6.246 8.035 1.00 0.00 C ATOM 0 H LEU A 113 2.115 3.515 10.003 1.00 0.00 H new ATOM 0 HA LEU A 113 1.934 6.365 9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.069 5.105 9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.651 4.409 8.376 1.00 0.00 H new ATOM 0 HG LEU A 113 3.627 6.681 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.426 8.627 8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.932 7.957 9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.503 7.617 10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.075 7.105 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.138 6.080 8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.739 5.361 7.407 1.00 0.00 H new ATOM 1769 N MET A 114 1.337 4.964 7.050 1.00 0.00 N ATOM 1770 CA MET A 114 0.654 5.235 5.757 1.00 0.00 C ATOM 1771 C MET A 114 -0.869 5.260 5.951 1.00 0.00 C ATOM 1772 O MET A 114 -1.558 6.077 5.374 1.00 0.00 O ATOM 1773 CB MET A 114 1.052 4.158 4.742 1.00 0.00 C ATOM 1774 CG MET A 114 0.517 2.782 5.178 1.00 0.00 C ATOM 1775 SD MET A 114 1.696 1.485 4.699 1.00 0.00 S ATOM 1776 CE MET A 114 0.860 0.899 3.201 1.00 0.00 C ATOM 0 H MET A 114 1.798 4.056 7.118 1.00 0.00 H new ATOM 0 HA MET A 114 0.961 6.211 5.382 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.657 4.413 3.759 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.137 4.120 4.650 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.363 2.766 6.257 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.452 2.595 4.715 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.602 0.541 2.487 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.181 0.086 3.458 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.294 1.718 2.756 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.403 4.377 6.752 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.882 4.365 6.965 1.00 0.00 C ATOM 1788 C GLU A 115 -3.333 5.693 7.586 1.00 0.00 C ATOM 1789 O GLU A 115 -4.325 6.270 7.198 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.257 3.212 7.905 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.778 3.147 8.065 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.148 1.971 8.970 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.269 1.179 9.271 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.305 1.877 9.344 1.00 0.01 O ATOM 0 H GLU A 115 -0.883 3.666 7.266 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.378 4.231 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.884 2.269 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.786 3.355 8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.149 4.079 8.492 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.252 3.032 7.090 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.623 6.172 8.566 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.025 7.452 9.221 1.00 0.00 C ATOM 1803 C LYS A 116 -2.566 8.655 8.393 1.00 0.01 C ATOM 1804 O LYS A 116 -2.973 9.770 8.652 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.385 7.523 10.609 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.001 6.449 11.506 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.360 6.510 12.893 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.980 5.434 13.786 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.435 5.708 13.953 1.00 0.00 N ATOM 0 H LYS A 116 -1.782 5.736 8.944 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.112 7.480 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.308 7.375 10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.542 8.510 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.078 6.600 11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.849 5.463 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.283 6.358 12.815 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.512 7.496 13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.833 4.449 13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.487 5.424 14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.787 5.212 14.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.585 6.731 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.950 5.373 13.114 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.708 8.453 7.418 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.207 9.607 6.597 1.00 0.00 C ATOM 1825 C ASP A 117 -1.467 9.382 5.103 1.00 0.00 C ATOM 1826 O ASP A 117 -2.110 10.180 4.452 1.00 0.00 O ATOM 1827 CB ASP A 117 0.300 9.759 6.819 1.00 0.00 C ATOM 1828 CG ASP A 117 0.776 11.077 6.205 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.011 11.672 5.462 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.896 11.470 6.487 1.00 0.00 O ATOM 0 H ASP A 117 -1.333 7.541 7.155 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.738 10.506 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.525 9.740 7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.831 8.922 6.366 1.00 0.00 H new ATOM 1835 N SER A 118 -0.943 8.326 4.545 1.00 0.00 N ATOM 1836 CA SER A 118 -1.130 8.087 3.084 1.00 0.00 C ATOM 1837 C SER A 118 -2.612 7.961 2.727 1.00 0.00 C ATOM 1838 O SER A 118 -3.058 8.514 1.748 1.00 0.01 O ATOM 1839 CB SER A 118 -0.413 6.800 2.678 1.00 0.00 C ATOM 1840 OG SER A 118 -1.193 5.681 3.079 1.00 0.00 O ATOM 0 H SER A 118 -0.395 7.619 5.035 1.00 0.00 H new ATOM 0 HA SER A 118 -0.712 8.940 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.257 6.782 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.572 6.757 3.143 1.00 0.00 H new ATOM 0 HG SER A 118 -1.637 5.880 3.929 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.373 7.232 3.493 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.819 7.062 3.157 1.00 0.00 C ATOM 1848 C TYR A 119 -5.514 8.423 3.082 1.00 0.01 C ATOM 1849 O TYR A 119 -6.193 8.723 2.119 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.483 6.171 4.233 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.959 4.876 3.620 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.080 4.109 2.850 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.278 4.450 3.810 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.515 2.920 2.270 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.713 3.256 3.228 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.828 2.494 2.457 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.250 1.318 1.882 1.00 0.00 O ATOM 0 H TYR A 119 -3.061 6.747 4.334 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.913 6.584 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.772 5.963 5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.324 6.699 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.062 4.439 2.705 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.958 5.042 4.405 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.835 2.328 1.675 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.730 2.922 3.373 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.192 1.399 1.625 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.361 9.251 4.068 1.00 0.00 N ATOM 1868 CA ARG A 120 -6.030 10.575 4.001 1.00 0.01 C ATOM 1869 C ARG A 120 -5.500 11.303 2.771 1.00 0.00 C ATOM 1870 O ARG A 120 -6.243 11.923 2.038 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.725 11.365 5.271 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.447 10.693 6.445 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.082 11.354 7.773 1.00 0.00 C ATOM 1874 NE ARG A 120 -6.678 12.734 7.829 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.094 13.765 7.300 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -4.903 13.643 6.781 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.689 14.926 7.312 1.00 0.01 N ATOM 0 H ARG A 120 -4.810 9.075 4.908 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.112 10.463 3.925 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.650 11.392 5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.056 12.398 5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.525 10.750 6.292 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -6.185 9.636 6.479 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -6.452 10.753 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -4.998 11.410 7.877 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.573 12.864 8.300 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -4.432 12.738 6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.443 14.453 6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.611 15.022 7.737 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -6.232 15.738 6.897 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.227 11.198 2.519 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.653 11.847 1.314 1.00 0.01 C ATOM 1893 C ARG A 121 -4.140 11.117 0.067 1.00 0.01 C ATOM 1894 O ARG A 121 -4.401 11.722 -0.943 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.128 11.803 1.370 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.640 12.741 2.467 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.114 12.698 2.527 1.00 0.00 C ATOM 1898 NE ARG A 121 0.359 13.394 3.767 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.007 14.623 4.038 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.557 15.370 3.128 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.279 15.126 5.210 1.00 0.01 N ATOM 0 H ARG A 121 -3.559 10.689 3.098 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.975 12.888 1.280 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.789 10.786 1.567 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.708 12.099 0.409 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.979 13.758 2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.062 12.446 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.231 11.664 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.309 13.178 1.644 1.00 0.00 H new ATOM 0 HE ARG A 121 0.970 12.897 4.415 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.727 14.996 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.828 16.328 3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.763 14.561 5.908 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.008 16.084 5.429 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.249 9.814 0.125 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.701 9.059 -1.075 1.00 0.01 C ATOM 1917 C PHE A 122 -6.080 9.566 -1.494 1.00 0.01 C ATOM 1918 O PHE A 122 -6.319 9.858 -2.644 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.775 7.551 -0.732 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.235 6.732 -1.874 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.855 6.623 -2.030 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.098 6.090 -2.766 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.329 5.871 -3.080 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.572 5.335 -3.820 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.187 5.225 -3.977 1.00 0.00 C ATOM 0 H PHE A 122 -4.045 9.246 0.947 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.998 9.206 -1.895 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.203 7.348 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.807 7.267 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.192 7.121 -1.338 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.167 6.176 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.259 5.787 -3.201 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.235 4.837 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.780 4.642 -4.790 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.984 9.679 -0.571 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.338 10.175 -0.927 1.00 0.00 C ATOM 1937 C LEU A 123 -8.207 11.580 -1.514 1.00 0.01 C ATOM 1938 O LEU A 123 -8.873 11.932 -2.468 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.203 10.212 0.331 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.347 8.795 0.898 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.073 8.870 2.241 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.139 7.905 -0.082 1.00 0.01 C ATOM 0 H LEU A 123 -6.847 9.450 0.414 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.803 9.517 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.752 10.868 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.185 10.623 0.097 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.359 8.357 1.038 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.181 7.867 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.497 9.486 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.059 9.311 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.234 6.902 0.333 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.131 8.329 -0.238 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.612 7.855 -1.035 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.345 12.382 -0.950 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.152 13.771 -1.457 1.00 0.01 C ATOM 1956 C LYS A 124 -5.999 13.801 -2.470 1.00 0.01 C ATOM 1957 O LYS A 124 -5.598 14.850 -2.933 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.811 14.681 -0.277 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.996 14.706 0.693 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.718 15.676 1.850 1.00 0.01 C ATOM 1961 CE LYS A 124 -6.596 15.144 2.751 1.00 0.01 C ATOM 1962 NZ LYS A 124 -5.273 15.503 2.168 1.00 0.01 N ATOM 0 H LYS A 124 -6.761 12.132 -0.152 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.065 14.113 -1.945 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.917 14.320 0.231 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.592 15.689 -0.630 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.900 15.009 0.165 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.175 13.705 1.084 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -7.439 16.652 1.453 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -8.625 15.818 2.437 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -6.690 15.565 3.752 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -6.679 14.062 2.851 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -4.783 14.639 1.860 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -5.413 16.131 1.351 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -4.698 15.990 2.885 1.00 0.01 H new ATOM 1976 N SER A 125 -5.449 12.662 -2.806 1.00 0.00 N ATOM 1977 CA SER A 125 -4.311 12.641 -3.772 1.00 0.01 C ATOM 1978 C SER A 125 -4.809 12.948 -5.180 1.00 0.01 C ATOM 1979 O SER A 125 -5.969 12.772 -5.500 1.00 0.01 O ATOM 1980 CB SER A 125 -3.634 11.268 -3.769 1.00 0.01 C ATOM 1981 OG SER A 125 -2.853 11.134 -2.590 1.00 0.01 O ATOM 0 H SER A 125 -5.738 11.749 -2.454 1.00 0.00 H new ATOM 0 HA SER A 125 -3.591 13.400 -3.466 1.00 0.01 H new ATOM 0 HB2 SER A 125 -4.385 10.479 -3.814 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.004 11.158 -4.651 1.00 0.01 H new ATOM 0 HG SER A 125 -3.096 11.839 -1.954 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.931 13.409 -6.021 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.329 13.737 -7.412 1.00 0.01 C ATOM 1989 C ARG A 126 -4.673 12.450 -8.167 1.00 0.00 C ATOM 1990 O ARG A 126 -5.612 12.401 -8.933 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.149 14.433 -8.100 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.933 15.834 -7.497 1.00 0.01 C ATOM 1993 CD ARG A 126 -3.858 16.877 -8.169 1.00 0.01 C ATOM 1994 NE ARG A 126 -4.987 16.203 -8.871 1.00 0.00 N ATOM 1995 CZ ARG A 126 -6.031 16.893 -9.231 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -6.091 18.169 -8.969 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -7.016 16.303 -9.852 1.00 0.01 N ATOM 0 H ARG A 126 -2.948 13.573 -5.802 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.202 14.389 -7.407 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.245 13.835 -7.982 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.339 14.515 -9.170 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.129 15.806 -6.425 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -1.892 16.131 -7.623 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -4.248 17.563 -7.417 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -3.286 17.474 -8.879 1.00 0.01 H new ATOM 0 HE ARG A 126 -4.942 15.203 -9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.320 18.626 -8.482 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -6.909 18.710 -9.251 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -6.966 15.304 -10.054 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -7.835 16.841 -10.135 1.00 0.01 H new ATOM 2011 N PHE A 127 -3.914 11.409 -7.955 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.191 10.128 -8.663 1.00 0.01 C ATOM 2013 C PHE A 127 -5.585 9.619 -8.289 1.00 0.01 C ATOM 2014 O PHE A 127 -6.378 9.266 -9.139 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.141 9.094 -8.256 1.00 0.01 C ATOM 2016 CG PHE A 127 -1.809 9.497 -8.839 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.462 9.089 -10.133 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -0.928 10.289 -8.094 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.232 9.473 -10.680 1.00 0.01 C ATOM 2020 CE2 PHE A 127 0.302 10.674 -8.642 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.649 10.264 -9.935 1.00 0.00 C ATOM 0 H PHE A 127 -3.114 11.391 -7.322 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.149 10.291 -9.740 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.074 9.032 -7.170 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.426 8.105 -8.615 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.143 8.479 -10.708 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.197 10.603 -7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.037 9.158 -11.678 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.982 11.286 -8.068 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.598 10.559 -10.358 1.00 0.00 H new ATOM 2031 N TYR A 128 -5.887 9.581 -7.022 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.224 9.095 -6.585 1.00 0.01 C ATOM 2033 C TYR A 128 -8.312 9.982 -7.189 1.00 0.01 C ATOM 2034 O TYR A 128 -9.270 9.503 -7.758 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.305 9.164 -5.059 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.603 8.560 -4.578 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.745 9.360 -4.448 1.00 0.00 C ATOM 2038 CD2 TYR A 128 -8.663 7.199 -4.252 1.00 0.01 C ATOM 2039 CE1 TYR A 128 -10.945 8.800 -3.996 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -9.864 6.639 -3.799 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.005 7.440 -3.670 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.187 6.888 -3.221 1.00 0.01 O ATOM 0 H TYR A 128 -5.263 9.867 -6.268 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.368 8.067 -6.918 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.462 8.631 -4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.234 10.201 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.699 10.410 -4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.783 6.581 -4.350 1.00 0.01 H new ATOM 0 HE1 TYR A 128 -11.826 9.418 -3.899 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -9.910 5.589 -3.549 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.055 5.934 -3.041 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.177 11.272 -7.061 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.212 12.186 -7.620 1.00 0.01 C ATOM 2054 C LEU A 129 -9.293 12.027 -9.142 1.00 0.01 C ATOM 2055 O LEU A 129 -10.367 11.996 -9.709 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.860 13.636 -7.278 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.030 13.879 -5.770 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.541 15.293 -5.434 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.511 13.725 -5.359 1.00 0.01 C ATOM 0 H LEU A 129 -7.396 11.733 -6.594 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.178 11.931 -7.183 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.833 13.849 -7.575 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.501 14.316 -7.838 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.443 13.143 -5.220 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.658 15.474 -4.366 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.490 15.388 -5.705 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.127 16.023 -5.992 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.612 13.901 -4.288 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.117 14.449 -5.904 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.851 12.717 -5.595 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.177 11.915 -9.816 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.237 11.750 -11.297 1.00 0.91 C ATOM 2073 C ASP A 130 -9.024 10.480 -11.599 1.00 1.05 C ATOM 2074 O ASP A 130 -9.942 10.476 -12.394 1.00 1.91 O ATOM 2075 CB ASP A 130 -6.821 11.626 -11.867 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.140 12.995 -11.872 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -6.848 13.989 -11.911 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -4.921 13.029 -11.839 1.00 3.77 O ATOM 0 H ASP A 130 -7.241 11.930 -9.412 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.720 12.615 -11.752 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.240 10.923 -11.270 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -6.861 11.227 -12.880 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.688 9.406 -10.942 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.432 8.137 -11.153 1.00 1.68 C ATOM 2085 C LEU A 131 -10.829 8.294 -10.552 1.00 2.00 C ATOM 2086 O LEU A 131 -11.812 7.834 -11.097 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.703 6.989 -10.448 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.283 6.828 -11.006 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.550 5.756 -10.194 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.335 6.400 -12.481 1.00 3.54 C ATOM 0 H LEU A 131 -7.927 9.354 -10.265 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.499 7.915 -12.218 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.659 7.183 -9.376 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.259 6.061 -10.581 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.759 7.781 -10.934 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.539 5.633 -10.582 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.503 6.060 -9.148 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.086 4.810 -10.272 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.320 6.290 -12.864 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.860 5.449 -12.565 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.861 7.158 -13.061 1.00 3.54 H new ATOM 2102 N THR A 132 -10.908 8.938 -9.415 1.00 2.68 N ATOM 2103 CA THR A 132 -12.217 9.143 -8.724 1.00 3.30 C ATOM 2104 C THR A 132 -12.582 10.628 -8.742 1.00 3.72 C ATOM 2105 O THR A 132 -12.568 11.288 -7.722 1.00 3.94 O ATOM 2106 CB THR A 132 -12.089 8.687 -7.265 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.328 9.647 -6.546 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.384 7.324 -7.192 1.00 4.63 C ATOM 0 H THR A 132 -10.106 9.337 -8.928 1.00 2.68 H new ATOM 0 HA THR A 132 -12.989 8.568 -9.235 1.00 3.30 H new ATOM 0 HB THR A 132 -13.084 8.593 -6.831 1.00 3.80 H new ATOM 0 HG1 THR A 132 -10.848 9.204 -5.816 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.300 7.013 -6.151 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.963 6.585 -7.746 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.388 7.406 -7.628 1.00 4.63 H new